smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(F)CNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000631408399 398159489 /nfs/dbraw/zinc/15/94/89/398159489.db2.gz QMEQVVOJRQHQNB-UHFFFAOYSA-N -1 1 225.227 0.592 20 0 BCADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)C(N)=O ZINC000292715098 398203408 /nfs/dbraw/zinc/20/34/08/398203408.db2.gz FLMNCIOGIZQWAP-SECBINFHSA-N -1 1 240.234 0.525 20 0 BCADMM CCOc1ccc(CC(=O)Nc2nnn[n-]2)cc1 ZINC000075283306 398219500 /nfs/dbraw/zinc/21/95/00/398219500.db2.gz HANAXFODLXUKLH-UHFFFAOYSA-N -1 1 247.258 0.780 20 0 BCADMM CCOc1ccc(CC(=O)Nc2nn[n-]n2)cc1 ZINC000075283306 398219503 /nfs/dbraw/zinc/21/95/03/398219503.db2.gz HANAXFODLXUKLH-UHFFFAOYSA-N -1 1 247.258 0.780 20 0 BCADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000286502433 178202785 /nfs/dbraw/zinc/20/27/85/178202785.db2.gz PVAKRCLSLXSGBV-MRVPVSSYSA-N -1 1 238.291 0.359 20 0 BCADMM Cn1ccc(C(=O)Nc2ccncc2[O-])c1 ZINC000334444854 136225661 /nfs/dbraw/zinc/22/56/61/136225661.db2.gz HUEKRJPYGIVTDC-UHFFFAOYSA-N -1 1 217.228 0.800 20 0 BCADMM C[C@@H]1CCC[C@H](C(=O)NCc2nn[n-]n2)C1 ZINC000383487334 398233835 /nfs/dbraw/zinc/23/38/35/398233835.db2.gz FOBFZXOLVNGCPF-SFYZADRCSA-N -1 1 223.280 0.642 20 0 BCADMM Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC000649459713 398261124 /nfs/dbraw/zinc/26/11/24/398261124.db2.gz WSCCWIUAFMPHJQ-HTQZYQBOSA-N -1 1 223.232 0.055 20 0 BCADMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCC(=O)[O-] ZINC000650501643 398274912 /nfs/dbraw/zinc/27/49/12/398274912.db2.gz MTXDYVWZUXNZHX-HTQZYQBOSA-N -1 1 215.249 0.789 20 0 BCADMM O=C([O-])CC[N@H+](CC(=O)[O-])CC1CC1 ZINC000650512753 398277941 /nfs/dbraw/zinc/27/79/41/398277941.db2.gz UWZLDMALJCXXBW-UHFFFAOYSA-N -1 1 201.222 0.258 20 0 BCADMM COC[C@@H](C)CNC(=O)c1cncc([O-])c1 ZINC000082651004 398276918 /nfs/dbraw/zinc/27/69/18/398276918.db2.gz URKMLNLQJPHWDR-QMMMGPOBSA-N -1 1 224.260 0.800 20 0 BCADMM C[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC000306658232 361867709 /nfs/dbraw/zinc/86/77/09/361867709.db2.gz IPJJZHWWIVPUMA-HTQZYQBOSA-N -1 1 209.249 0.562 20 0 BCADMM Cc1cc(C(=O)N(C)CCC(=O)[O-])n[nH]1 ZINC000078627693 342777597 /nfs/dbraw/zinc/77/75/97/342777597.db2.gz ODLZXUKGENIPTK-UHFFFAOYSA-N -1 1 211.221 0.265 20 0 BCADMM c1n[n-]c(=NCc2[nH]nc3ccccc32)o1 ZINC000381530098 539003287 /nfs/dbraw/zinc/00/32/87/539003287.db2.gz YOPPACOWAFBQIR-UHFFFAOYSA-N -1 1 215.216 0.980 20 0 BCADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC1CC=CC1 ZINC000381602756 539004803 /nfs/dbraw/zinc/00/48/03/539004803.db2.gz HSJBNWMOVKKSBL-UHFFFAOYSA-N -1 1 243.288 0.392 20 0 BCADMM Cc1onc(N)c1S(=O)(=O)[N-]C1CC=CC1 ZINC000381602756 539004804 /nfs/dbraw/zinc/00/48/04/539004804.db2.gz HSJBNWMOVKKSBL-UHFFFAOYSA-N -1 1 243.288 0.392 20 0 BCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCC[C@H]1O ZINC000351251412 136244122 /nfs/dbraw/zinc/24/41/22/136244122.db2.gz LMPTYJVZPWJDHT-DTWKUNHWSA-N -1 1 240.307 0.493 20 0 BCADMM COc1ccc(-c2[n-]n(CCO)c(=O)c2C)cc1 ZINC000634584780 342901416 /nfs/dbraw/zinc/90/14/16/342901416.db2.gz MUPLNCXYQRIHRN-VIFPVBQESA-N -1 1 248.282 0.870 20 0 BCADMM CC(C)(NC(=O)c1cc[nH]c1)c1nn[n-]n1 ZINC000354781400 398329875 /nfs/dbraw/zinc/32/98/75/398329875.db2.gz ACUIYOHRDKEQMI-UHFFFAOYSA-N -1 1 220.236 0.193 20 0 BCADMM Cc1cncc(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000354771049 398329994 /nfs/dbraw/zinc/32/99/94/398329994.db2.gz JHYYENWOVZYNMK-UHFFFAOYSA-N -1 1 246.274 0.568 20 0 BCADMM C[C@H]1CCc2[n-]n(CC[NH+](C)C)c(=O)c21 ZINC000634590036 342937093 /nfs/dbraw/zinc/93/70/93/342937093.db2.gz OMVWYKYQUWBBNI-WCBMZHEXSA-N -1 1 209.293 0.792 20 0 BCADMM CN(CC(=O)NC1CC1)C(=O)c1cncc([O-])c1 ZINC000111739626 398332240 /nfs/dbraw/zinc/33/22/40/398332240.db2.gz CYGCVCFCEQBKGD-UHFFFAOYSA-N -1 1 249.270 0.138 20 0 BCADMM CC(C)C[C@@H](C)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357056351 187213239 /nfs/dbraw/zinc/21/32/39/187213239.db2.gz OPLYBKAJCBDNEW-MRVPVSSYSA-N -1 1 237.307 0.987 20 0 BCADMM CC[C@@H](C)c1cc(=O)n(-c2nc[nH]n2)[n-]1 ZINC000634608928 343007550 /nfs/dbraw/zinc/00/75/50/343007550.db2.gz QOCWPFKPNLMYHV-ZCFIWIBFSA-N -1 1 207.237 0.944 20 0 BCADMM C[C@H](CO)n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000634616903 343015010 /nfs/dbraw/zinc/01/50/10/343015010.db2.gz ANPUUAWICWNIGJ-SSDOTTSWSA-N -1 1 207.233 0.332 20 0 BCADMM C[C@@H]1CCc2[n-]n(-c3nccn(C)c3=O)c(=O)c21 ZINC000634614832 343012374 /nfs/dbraw/zinc/01/23/74/343012374.db2.gz PLFIPAYGOQOPNX-VXNVDRBHSA-N -1 1 246.270 0.529 20 0 BCADMM C[N@@H+](Cc1ncccc1O)CC(C)(CO)CO ZINC000576862983 365704956 /nfs/dbraw/zinc/70/49/56/365704956.db2.gz ILMKCBVTXMKTEA-UHFFFAOYSA-N -1 1 240.303 0.210 20 0 BCADMM CC(C)C[C@H](CNC(=O)c1cnn[nH]1)C(=O)[O-] ZINC000094702805 343156575 /nfs/dbraw/zinc/15/65/75/343156575.db2.gz DMAPNMSJCCVQPD-SSDOTTSWSA-N -1 1 240.263 0.281 20 0 BCADMM CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000035750767 187249399 /nfs/dbraw/zinc/24/93/99/187249399.db2.gz PZBHDICXKWGPQZ-QMMMGPOBSA-N -1 1 214.265 0.014 20 0 BCADMM O=C(Nc1nnn[n-]1)c1cccc2nccnc21 ZINC000349124781 136322098 /nfs/dbraw/zinc/32/20/98/136322098.db2.gz COJFNZNDAUALFY-UHFFFAOYSA-N -1 1 241.214 0.395 20 0 BCADMM O=C(Nc1nn[n-]n1)c1cccc2nccnc21 ZINC000349124781 136322099 /nfs/dbraw/zinc/32/20/99/136322099.db2.gz COJFNZNDAUALFY-UHFFFAOYSA-N -1 1 241.214 0.395 20 0 BCADMM COC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC000041681336 343422813 /nfs/dbraw/zinc/42/28/13/343422813.db2.gz VCSRPUFUZOFIOV-MRVPVSSYSA-N -1 1 224.260 0.800 20 0 BCADMM O=C(C(=O)N1CC(F)C1)c1ccc([O-])cc1 ZINC000335692499 136325655 /nfs/dbraw/zinc/32/56/55/136325655.db2.gz DOWLPEXVVGJKRK-UHFFFAOYSA-N -1 1 223.203 0.755 20 0 BCADMM COC(=O)CCNC(=O)c1ncccc1[O-] ZINC000041041012 343413534 /nfs/dbraw/zinc/41/35/34/343413534.db2.gz CKJXSUJSVXEOEK-UHFFFAOYSA-N -1 1 224.216 0.080 20 0 BCADMM CC(C)(C)CC(=O)NN1CC(=O)[N-]C1=O ZINC000041998588 343427179 /nfs/dbraw/zinc/42/71/79/343427179.db2.gz HEKJWDGCTOELDF-UHFFFAOYSA-N -1 1 213.237 0.006 20 0 BCADMM CCOC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000570165946 323051717 /nfs/dbraw/zinc/05/17/17/323051717.db2.gz FUGGROARDCDIDF-BDAKNGLRSA-N -1 1 229.276 0.592 20 0 BCADMM CCOC(=O)[C@@H](CC)N1CC[C@@H](C(=O)[O-])C1 ZINC000580569588 365775459 /nfs/dbraw/zinc/77/54/59/365775459.db2.gz WFBDITJTBQSOAR-RKDXNWHRSA-N -1 1 229.276 0.735 20 0 BCADMM CCc1[nH]ccc1C(=O)Nc1nnn[n-]1 ZINC000285471803 187344665 /nfs/dbraw/zinc/34/46/65/187344665.db2.gz KRIJROBLUGCFDT-UHFFFAOYSA-N -1 1 206.209 0.343 20 0 BCADMM CCc1[nH]ccc1C(=O)Nc1nn[n-]n1 ZINC000285471803 187344667 /nfs/dbraw/zinc/34/46/67/187344667.db2.gz KRIJROBLUGCFDT-UHFFFAOYSA-N -1 1 206.209 0.343 20 0 BCADMM O=C(N[C@H]1CCNC(=O)CC1)c1ncccc1[O-] ZINC000396756597 349849933 /nfs/dbraw/zinc/84/99/33/349849933.db2.gz BWHGXTIZDISFDF-MRVPVSSYSA-N -1 1 249.270 0.186 20 0 BCADMM CO[C@H]1C[C@H](C(=O)[O-])N(CCOC(C)C)C1 ZINC000570456746 323060283 /nfs/dbraw/zinc/06/02/83/323060283.db2.gz KVAYXYIKHAMYMM-VHSXEESVSA-N -1 1 231.292 0.585 20 0 BCADMM CCOC(=O)c1nc([C@H](C)NC(C)=O)n[n-]1 ZINC000603160094 349879107 /nfs/dbraw/zinc/87/91/07/349879107.db2.gz CWEVGMKCDWOFLY-YFKPBYRVSA-N -1 1 226.236 0.179 20 0 BCADMM CCOC(=O)c1nnc([C@H](C)NC(C)=O)[n-]1 ZINC000603160094 349879108 /nfs/dbraw/zinc/87/91/08/349879108.db2.gz CWEVGMKCDWOFLY-YFKPBYRVSA-N -1 1 226.236 0.179 20 0 BCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(C)=O)n1 ZINC000603160094 349879110 /nfs/dbraw/zinc/87/91/10/349879110.db2.gz CWEVGMKCDWOFLY-YFKPBYRVSA-N -1 1 226.236 0.179 20 0 BCADMM O=C1NCCC[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000328621037 537836729 /nfs/dbraw/zinc/83/67/29/537836729.db2.gz XIFYXLUMTPKPER-SSDOTTSWSA-N -1 1 222.248 1.478 20 0 BCADMM CCOC(=O)c1c[n-]c(NC(=O)c2c[nH]cn2)n1 ZINC000590355556 347031001 /nfs/dbraw/zinc/03/10/01/347031001.db2.gz VSLKHOHLERENPJ-UHFFFAOYSA-N -1 1 249.230 0.562 20 0 BCADMM CC[C@H](CC(=O)NCc1nn[n-]n1)C(C)C ZINC000600494677 344242504 /nfs/dbraw/zinc/24/25/04/344242504.db2.gz HXOBLEQSUARUJF-MRVPVSSYSA-N -1 1 225.296 0.888 20 0 BCADMM CC(C)(C)n1cc(C(=O)NCc2nn[n-]n2)cn1 ZINC000600495418 344243930 /nfs/dbraw/zinc/24/39/30/344243930.db2.gz MVPUGJSKIRBHCM-UHFFFAOYSA-N -1 1 249.278 0.081 20 0 BCADMM CCN(CC)C(=O)CSCc1nn[n-]n1 ZINC000095279495 344334254 /nfs/dbraw/zinc/33/42/54/344334254.db2.gz MVYPIHRQISEMDG-UHFFFAOYSA-N -1 1 229.309 0.301 20 0 BCADMM Cc1nc(C(=O)NCCSCC(=O)[O-])c[nH]1 ZINC000600869311 344385079 /nfs/dbraw/zinc/38/50/79/344385079.db2.gz LIMPSKICANUYJI-UHFFFAOYSA-N -1 1 243.288 0.266 20 0 BCADMM CC[C@@H]1C(=O)NCCN1C(=O)c1cncc([O-])c1 ZINC000104417626 344459261 /nfs/dbraw/zinc/45/92/61/344459261.db2.gz FQSGDWJLCIHACB-SNVBAGLBSA-N -1 1 249.270 0.138 20 0 BCADMM Cc1cnc(C(=O)N[C@@H]2CC[C@H]2O)c([O-])c1 ZINC000425054000 192072102 /nfs/dbraw/zinc/07/21/02/192072102.db2.gz YRLOEZSAHRFNEA-HTQZYQBOSA-N -1 1 222.244 0.349 20 0 BCADMM O=C(NCCC1(CO)CC1)c1cncc([O-])c1 ZINC000395886619 344569156 /nfs/dbraw/zinc/56/91/56/344569156.db2.gz PREZNINHDYSTJJ-UHFFFAOYSA-N -1 1 236.271 0.680 20 0 BCADMM Cc1ccc(SCc2nn[n-]n2)nn1 ZINC000641455993 362429458 /nfs/dbraw/zinc/42/94/58/362429458.db2.gz MEHIFSYRMKACLN-UHFFFAOYSA-N -1 1 208.250 0.590 20 0 BCADMM COC(=O)CCCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000590397887 347082045 /nfs/dbraw/zinc/08/20/45/347082045.db2.gz IHYCCVUUBXFLNU-UHFFFAOYSA-N -1 1 241.247 0.706 20 0 BCADMM O=C(NCc1nn[n-]n1)c1ccc2n[nH]cc2c1 ZINC000044927707 537881040 /nfs/dbraw/zinc/88/10/40/537881040.db2.gz ZYPLNRWHKLIBFH-UHFFFAOYSA-N -1 1 243.230 0.006 20 0 BCADMM CCOC(=O)CSc1nc(CC)cc(=O)[n-]1 ZINC000005154975 344980329 /nfs/dbraw/zinc/98/03/29/344980329.db2.gz DIGYEJOYLWJBRM-UHFFFAOYSA-N -1 1 242.300 0.988 20 0 BCADMM Cc1cnc(C(=O)N2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000408292481 345060544 /nfs/dbraw/zinc/06/05/44/345060544.db2.gz CUNBFHREZUDSPX-DTWKUNHWSA-N -1 1 236.271 0.691 20 0 BCADMM O=C(CCCc1nn[n-]n1)N1CCCCC1 ZINC000635055514 345229774 /nfs/dbraw/zinc/22/97/74/345229774.db2.gz WOMIWYWQFFPTHK-UHFFFAOYSA-N -1 1 223.280 0.535 20 0 BCADMM O=C(CCCc1nn[n-]n1)NCc1ccncc1 ZINC000635066370 345238749 /nfs/dbraw/zinc/23/87/49/345238749.db2.gz UQIQNAVWXYIBDC-UHFFFAOYSA-N -1 1 246.274 0.234 20 0 BCADMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000635018225 345220025 /nfs/dbraw/zinc/22/00/25/345220025.db2.gz MUQANKONTKFDIB-SZEHBUNVSA-N -1 1 241.287 0.892 20 0 BCADMM C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C[C@H]1C(=O)[O-] ZINC000635016698 345221387 /nfs/dbraw/zinc/22/13/87/345221387.db2.gz BCONTLDWTFEMHX-SZEHBUNVSA-N -1 1 241.287 0.892 20 0 BCADMM O=C(CCCc1nn[n-]n1)N1CCSCC1 ZINC000635347765 345315501 /nfs/dbraw/zinc/31/55/01/345315501.db2.gz NAUXZCFYAOYROV-UHFFFAOYSA-N -1 1 241.320 0.098 20 0 BCADMM O=C(CCCc1nn[n-]n1)NCC1CCCC1 ZINC000635253722 345287550 /nfs/dbraw/zinc/28/75/50/345287550.db2.gz RCJUCLWOIJBFLI-UHFFFAOYSA-N -1 1 237.307 0.829 20 0 BCADMM C[C@@H]1C[C@@H]1CNC(=O)CCCc1nn[n-]n1 ZINC000635301394 345300034 /nfs/dbraw/zinc/30/00/34/345300034.db2.gz ZMJRYRIGIYIEGP-HTQZYQBOSA-N -1 1 223.280 0.295 20 0 BCADMM C[C@H](NCc1cc(C(=O)[O-])nn1C)c1cn[nH]c1 ZINC000635310171 345302360 /nfs/dbraw/zinc/30/23/60/345302360.db2.gz YTWQQPVDMKFEBS-ZETCQYMHSA-N -1 1 249.274 0.692 20 0 BCADMM Cc1occc1CNC(=O)CCCc1nn[n-]n1 ZINC000635408808 345352601 /nfs/dbraw/zinc/35/26/01/345352601.db2.gz DNUQBIFNCNGGOU-UHFFFAOYSA-N -1 1 249.274 0.740 20 0 BCADMM O=C(CCCc1nn[n-]n1)NC[C@@H]1CC=CCC1 ZINC000635429058 345364735 /nfs/dbraw/zinc/36/47/35/345364735.db2.gz BGVGQWHHDFQEPG-SNVBAGLBSA-N -1 1 249.318 0.995 20 0 BCADMM Cc1nn(C)cc1CNC(=O)c1ncccc1[O-] ZINC000168880339 187302884 /nfs/dbraw/zinc/30/28/84/187302884.db2.gz FRRNWAZGKDSQLX-UHFFFAOYSA-N -1 1 246.270 0.759 20 0 BCADMM CO[C@H](C)CCNC(=O)CCCc1nn[n-]n1 ZINC000635475962 345387195 /nfs/dbraw/zinc/38/71/95/345387195.db2.gz KVUJLIISEBIDAZ-MRVPVSSYSA-N -1 1 241.295 0.064 20 0 BCADMM C[C@@H]1CCC[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000635507052 345406150 /nfs/dbraw/zinc/40/61/50/345406150.db2.gz XJHYCYLVTJYKHD-RKDXNWHRSA-N -1 1 237.307 0.827 20 0 BCADMM C[C@H]1CCC[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000635507050 345406260 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/nfs/dbraw/zinc/53/96/82/364539682.db2.gz ZVGOQWNMADWXQN-UHFFFAOYSA-N -1 1 241.320 0.098 20 0 BCADMM CC1(NC(=O)CCc2nn[n-]n2)CCCC1 ZINC000630831350 364585392 /nfs/dbraw/zinc/58/53/92/364585392.db2.gz INZWLGAULNOSMK-UHFFFAOYSA-N -1 1 223.280 0.581 20 0 BCADMM CC[C@H](C)[C@@H](C)NC(=O)CCc1nn[n-]n1 ZINC000630823185 364578430 /nfs/dbraw/zinc/57/84/30/364578430.db2.gz TUOOLBDTLAMTSN-JGVFFNPUSA-N -1 1 225.296 0.683 20 0 BCADMM CCC[C@@](C)(O)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615220450 364639473 /nfs/dbraw/zinc/63/94/73/364639473.db2.gz GBSHZNYBELHLKU-SNVBAGLBSA-N -1 1 227.264 0.913 20 0 BCADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000615219522 364640397 /nfs/dbraw/zinc/64/03/97/364640397.db2.gz AAOGPYZHBCEHQW-CAHLUQPWSA-N -1 1 225.248 0.787 20 0 BCADMM CCN1CCCC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000573608169 364874055 /nfs/dbraw/zinc/87/40/55/364874055.db2.gz CHEPMAGZBJTULZ-RKDXNWHRSA-N -1 1 228.292 0.450 20 0 BCADMM COC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000573854427 364930494 /nfs/dbraw/zinc/93/04/94/364930494.db2.gz SAILRNIECVUKGJ-VIFPVBQESA-N -1 1 229.276 0.879 20 0 BCADMM CC(C)N(Cc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC000574305742 365033659 /nfs/dbraw/zinc/03/36/59/365033659.db2.gz DROLNNMSXCUDOD-QMMMGPOBSA-N -1 1 226.280 0.510 20 0 BCADMM O=c1[n-]c(CN2CC[C@@H](c3ccncc3)C2)n[nH]1 ZINC000574650395 365113570 /nfs/dbraw/zinc/11/35/70/365113570.db2.gz YHTUZEGHTMOSBZ-SNVBAGLBSA-N -1 1 245.286 0.895 20 0 BCADMM COc1ccc(O)cc1C(=O)Nc1nn[n-]n1 ZINC000444024006 193033621 /nfs/dbraw/zinc/03/36/21/193033621.db2.gz VUYXMZFEYIPXIQ-UHFFFAOYSA-N -1 1 235.203 0.166 20 0 BCADMM CC[C@@H](CO)NC(=O)c1ncc(C)cc1[O-] ZINC000444511434 193048000 /nfs/dbraw/zinc/04/80/00/193048000.db2.gz YLSBQBZZNOJSKH-QMMMGPOBSA-N -1 1 224.260 0.596 20 0 BCADMM CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000575320355 365288585 /nfs/dbraw/zinc/28/85/85/365288585.db2.gz RPGUVFCYLFNITJ-RKDXNWHRSA-N -1 1 229.276 0.735 20 0 BCADMM CCOC(=O)[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000575320355 365288590 /nfs/dbraw/zinc/28/85/90/365288590.db2.gz RPGUVFCYLFNITJ-RKDXNWHRSA-N -1 1 229.276 0.735 20 0 BCADMM CC(C)SCCN1CCO[C@@H](C(=O)[O-])C1 ZINC000379860216 365315020 /nfs/dbraw/zinc/31/50/20/365315020.db2.gz LPAQOVPYKZQBAR-SECBINFHSA-N -1 1 233.333 0.913 20 0 BCADMM COC(=O)c1nc[nH]c1NC(=O)CC1CC1 ZINC000580024979 367135651 /nfs/dbraw/zinc/13/56/51/367135651.db2.gz VZZVGXJYLCMZHY-UHFFFAOYSA-N -1 1 223.232 0.935 20 0 BCADMM C[C@@H](C(=O)[O-])N(C(=O)c1ccn[nH]1)C1CC1 ZINC000383442604 367622967 /nfs/dbraw/zinc/62/29/67/367622967.db2.gz YPVBIOCECJUMDL-LURJTMIESA-N -1 1 223.232 0.487 20 0 BCADMM C[C@@H]1CCC[C@@H]1NC(=O)CCc1nn[n-]n1 ZINC000630936444 368000370 /nfs/dbraw/zinc/00/03/70/368000370.db2.gz XDXGOYRZPABQPG-SFYZADRCSA-N -1 1 223.280 0.437 20 0 BCADMM O=C(c1ccc([O-])cc1F)N1CCOCCN1 ZINC000615498343 368074819 /nfs/dbraw/zinc/07/48/19/368074819.db2.gz DMOFCDCMMXLZGS-UHFFFAOYSA-N -1 1 240.234 0.508 20 0 BCADMM O=C(CCc1ccccc1O)Nc1nnn[n-]1 ZINC000060380286 368540352 /nfs/dbraw/zinc/54/03/52/368540352.db2.gz WNVDIXZYMIVURU-UHFFFAOYSA-N -1 1 233.231 0.477 20 0 BCADMM O=C(CCc1ccccc1O)Nc1nn[n-]n1 ZINC000060380286 368540354 /nfs/dbraw/zinc/54/03/54/368540354.db2.gz WNVDIXZYMIVURU-UHFFFAOYSA-N -1 1 233.231 0.477 20 0 BCADMM CC[C@H](NC(=O)c1ncccc1[O-])C(=O)NC ZINC000457054152 203002898 /nfs/dbraw/zinc/00/28/98/203002898.db2.gz PASCYFPOMMJLPK-ZETCQYMHSA-N -1 1 237.259 0.042 20 0 BCADMM O=C(Nc1nn[n-]n1)c1ccnc(C2CC2)n1 ZINC000069966796 368761170 /nfs/dbraw/zinc/76/11/70/368761170.db2.gz VGULTMPJTVTGGG-UHFFFAOYSA-N -1 1 231.219 0.119 20 0 BCADMM CCCN(CC(=O)[O-])C(=O)Cc1ccn[nH]1 ZINC000085939158 368873351 /nfs/dbraw/zinc/87/33/51/368873351.db2.gz VCXCBJDMKUACDO-UHFFFAOYSA-N -1 1 225.248 0.275 20 0 BCADMM O=C(c1cncc([O-])c1)N1CCC2(COC2)C1 ZINC000620289519 369807832 /nfs/dbraw/zinc/80/78/32/369807832.db2.gz UOEKABSSDQYGQN-UHFFFAOYSA-N -1 1 234.255 0.650 20 0 BCADMM CO[C@@]1(C)C[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000620549850 369915578 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/nfs/dbraw/zinc/35/89/82/372358982.db2.gz YYMNPGXGNJJFIS-KNVOCYPGSA-N -1 1 229.305 0.289 20 0 BCADMM C[C@@H]1CC[C@@H](C)N(C(=O)CCc2nn[n-]n2)C1 ZINC000631568900 372429410 /nfs/dbraw/zinc/42/94/10/372429410.db2.gz IGMYDMHEGDQEBU-RKDXNWHRSA-N -1 1 237.307 0.779 20 0 BCADMM O=C(CCc1nn[n-]n1)N[C@@H]1CCCSC1 ZINC000631623666 372467760 /nfs/dbraw/zinc/46/77/60/372467760.db2.gz ZYGLQHZNEHHAJK-SSDOTTSWSA-N -1 1 241.320 0.144 20 0 BCADMM CCOC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000008227868 372528512 /nfs/dbraw/zinc/52/85/12/372528512.db2.gz NCNYUCSPABJGLL-UHFFFAOYSA-N -1 1 228.273 0.734 20 0 BCADMM CC(C)(C)OCCS(=O)(=O)[N-]CC(F)F ZINC000632053945 372740527 /nfs/dbraw/zinc/74/05/27/372740527.db2.gz HIOOOWBKIDQQEE-UHFFFAOYSA-N -1 1 245.291 0.986 20 0 BCADMM CO[C@@H]1CCC[C@H]1S(=O)(=O)[N-]CC(F)F ZINC000632054055 372737053 /nfs/dbraw/zinc/73/70/53/372737053.db2.gz KMNMHPCTIPAPLY-RNFRBKRXSA-N -1 1 243.275 0.738 20 0 BCADMM CCn1ncc(C(=O)Nc2ccncc2[O-])c1C ZINC000632169854 372790049 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/nfs/dbraw/zinc/12/92/98/373129298.db2.gz CHTBUXPGYOVENW-QMMMGPOBSA-N -1 1 235.291 0.581 20 0 BCADMM O=C(Nc1ccncc1[O-])c1ccncc1F ZINC000358345084 182084899 /nfs/dbraw/zinc/08/48/99/182084899.db2.gz XZJFIJJGAMURKS-UHFFFAOYSA-N -1 1 233.202 0.996 20 0 BCADMM O=C(Nc1ccncc1[O-])c1cc[nH]c1 ZINC000334254566 182085013 /nfs/dbraw/zinc/08/50/13/182085013.db2.gz KTRTZEYYUTYMGE-UHFFFAOYSA-N -1 1 203.201 0.790 20 0 BCADMM O=C(CCc1nn[n-]n1)N[C@@H]1C[C@H]1C1CC1 ZINC000632835039 373179119 /nfs/dbraw/zinc/17/91/19/373179119.db2.gz OFDUPJOFDBJFGH-JGVFFNPUSA-N -1 1 221.264 0.047 20 0 BCADMM C[C@H]1CCC[C@@H]1CNC(=O)CCc1nn[n-]n1 ZINC000632857627 373191141 /nfs/dbraw/zinc/19/11/41/373191141.db2.gz VHZWOCYGRPGPJI-DTWKUNHWSA-N -1 1 237.307 0.685 20 0 BCADMM O=C(NC1(CO)CCCC1)c1ncccc1[O-] ZINC000053046089 182091234 /nfs/dbraw/zinc/09/12/34/182091234.db2.gz PFQSSKYVKYCRNV-UHFFFAOYSA-N -1 1 236.271 0.822 20 0 BCADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCSC1 ZINC000357062829 182091905 /nfs/dbraw/zinc/09/19/05/182091905.db2.gz YLDHPLZFFZZCJR-LURJTMIESA-N -1 1 239.304 0.058 20 0 BCADMM O=C(CCc1nn[n-]n1)N1CC(C2CC2)C1 ZINC000633155423 373312067 /nfs/dbraw/zinc/31/20/67/373312067.db2.gz JNYXXAKRCNJMIP-UHFFFAOYSA-N -1 1 221.264 0.001 20 0 BCADMM CC[C@H]1CCN1C(=O)CCc1nn[n-]n1 ZINC000633203033 373340778 /nfs/dbraw/zinc/34/07/78/373340778.db2.gz JTFSXXISYOPHPB-ZETCQYMHSA-N -1 1 209.253 0.143 20 0 BCADMM CC1(NC(=O)CCc2nn[n-]n2)CC=CC1 ZINC000633589879 373617141 /nfs/dbraw/zinc/61/71/41/373617141.db2.gz TYJSSVGWOKXNFZ-UHFFFAOYSA-N -1 1 221.264 0.357 20 0 BCADMM O=C(NCCCCCO)c1cncc([O-])c1 ZINC000193060900 182161575 /nfs/dbraw/zinc/16/15/75/182161575.db2.gz QQCXVSFJKNHYNX-UHFFFAOYSA-N -1 1 224.260 0.680 20 0 BCADMM O=C(NCCn1cccn1)c1ncccc1[O-] ZINC000042542851 182215148 /nfs/dbraw/zinc/21/51/48/182215148.db2.gz RYTAAQCVSSZPFR-UHFFFAOYSA-N -1 1 232.243 0.414 20 0 BCADMM O=C(NCCc1cnccn1)c1ncccc1[O-] ZINC000342427552 182211780 /nfs/dbraw/zinc/21/17/80/182211780.db2.gz VDVMEVUKSXLCHV-UHFFFAOYSA-N -1 1 244.254 0.550 20 0 BCADMM O=C(NC[C@@H](O)C1CC1)c1ncccc1[O-] ZINC000070855332 182219840 /nfs/dbraw/zinc/21/98/40/182219840.db2.gz IGUGLXCQZACCIZ-SECBINFHSA-N -1 1 222.244 0.288 20 0 BCADMM O=C(NN1CCCCC1)c1cncc([O-])c1 ZINC000128448526 182277327 /nfs/dbraw/zinc/27/73/27/182277327.db2.gz WHKFRXMCGPVDHR-UHFFFAOYSA-N -1 1 221.260 0.918 20 0 BCADMM O=C([N-]OCC1CC1)C1C=NC(=S)N1 ZINC000293845003 182283189 /nfs/dbraw/zinc/28/31/89/182283189.db2.gz UNQFSQJXMMWVCS-UHFFFAOYSA-N -1 1 213.262 0.770 20 0 BCADMM O=C(NOC[C@@H]1CCOC1)c1cncc([O-])c1 ZINC000188444409 182283562 /nfs/dbraw/zinc/28/35/62/182283562.db2.gz SIJYCLPZPLEBTR-MRVPVSSYSA-N -1 1 238.243 0.485 20 0 BCADMM O=C(N[C@@H]1CCCC[C@H]1O)c1ncccc1[O-] ZINC000052002311 182294187 /nfs/dbraw/zinc/29/41/87/182294187.db2.gz ZVCGVBKZGBHUKG-RKDXNWHRSA-N -1 1 236.271 0.821 20 0 BCADMM O=C(N[C@@H]1CCCOC1)c1cncc([O-])c1 ZINC000082651056 182296858 /nfs/dbraw/zinc/29/68/58/182296858.db2.gz DNCJIZXWBKZFKV-SECBINFHSA-N -1 1 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C[C@@H](O)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000824699286 587283209 /nfs/dbraw/zinc/28/32/09/587283209.db2.gz RBPOMVUVALVEFU-NKWVEPMBSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](O)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000824699287 587283445 /nfs/dbraw/zinc/28/34/45/587283445.db2.gz RBPOMVUVALVEFU-RNFRBKRXSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](O)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000824699287 587283447 /nfs/dbraw/zinc/28/34/47/587283447.db2.gz RBPOMVUVALVEFU-RNFRBKRXSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1nccnc1-c1nnn[n-]1 ZINC000824699288 587283531 /nfs/dbraw/zinc/28/35/31/587283531.db2.gz RBPOMVUVALVEFU-RQJHMYQMSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1nccnc1-c1nn[n-]n1 ZINC000824699288 587283533 /nfs/dbraw/zinc/28/35/33/587283533.db2.gz RBPOMVUVALVEFU-RQJHMYQMSA-N -1 1 249.278 0.228 20 0 BCADMM CSc1n[nH]c(NC(=O)Cc2ncc[nH]2)n1 ZINC000824783537 587287460 /nfs/dbraw/zinc/28/74/60/587287460.db2.gz VMQCCNALLCMJDE-UHFFFAOYSA-N -1 1 238.276 0.431 20 0 BCADMM C[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824901544 587292571 /nfs/dbraw/zinc/29/25/71/587292571.db2.gz ZAFOKENXYNDLCQ-CAHLUQPWSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824901544 587292573 /nfs/dbraw/zinc/29/25/73/587292573.db2.gz ZAFOKENXYNDLCQ-CAHLUQPWSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825022570 587299049 /nfs/dbraw/zinc/29/90/49/587299049.db2.gz YKYWBCXIQAKQPS-BQBZGAKWSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825022570 587299050 /nfs/dbraw/zinc/29/90/50/587299050.db2.gz YKYWBCXIQAKQPS-BQBZGAKWSA-N -1 1 247.262 0.246 20 0 BCADMM CN(C)C1(C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000825026493 587299081 /nfs/dbraw/zinc/29/90/81/587299081.db2.gz IYLNVBNIWQDGGR-SECBINFHSA-N -1 1 228.292 0.655 20 0 BCADMM CC[C@@H](C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825052505 587300715 /nfs/dbraw/zinc/30/07/15/587300715.db2.gz XVRIZTFZERHMKX-ZCFIWIBFSA-N -1 1 235.251 0.073 20 0 BCADMM CC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825153854 587307459 /nfs/dbraw/zinc/30/74/59/587307459.db2.gz KPNFEWBZLNRCSK-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM CC[C@@H](O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825153854 587307461 /nfs/dbraw/zinc/30/74/61/587307461.db2.gz KPNFEWBZLNRCSK-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@@H](NC(=O)[O-])[C@H]1CN(CC2CC2)CCO1 ZINC000825351770 587316334 /nfs/dbraw/zinc/31/63/34/587316334.db2.gz PUTXAXABOZMRDK-PSASIEDQSA-N -1 1 228.292 0.753 20 0 BCADMM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cnccn1 ZINC000825479532 587320471 /nfs/dbraw/zinc/32/04/71/587320471.db2.gz OPSJUWBQSWCXJE-DTWKUNHWSA-N -1 1 236.275 0.880 20 0 BCADMM C[C@H](NC1CN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825485321 587320788 /nfs/dbraw/zinc/32/07/88/587320788.db2.gz OGVCVMKEAUBOQY-ZETCQYMHSA-N -1 1 224.264 0.433 20 0 BCADMM CN(C(=O)c1ccnn1C1CCC1)c1nn[n-]n1 ZINC000825530220 587323678 /nfs/dbraw/zinc/32/36/78/587323678.db2.gz CFBJUXIQBUGWET-UHFFFAOYSA-N -1 1 247.262 0.398 20 0 BCADMM CN(C(=O)CCC1(C)CC1)c1nn[n-]n1 ZINC000825532723 587323896 /nfs/dbraw/zinc/32/38/96/587323896.db2.gz ZVUNGKNMTXLXPL-UHFFFAOYSA-N -1 1 209.253 0.743 20 0 BCADMM CCOC(=O)c1cnn(CC)c1-c1nn[n-]n1 ZINC000825571003 587325691 /nfs/dbraw/zinc/32/56/91/587325691.db2.gz RTGMMBBQCSKPKK-UHFFFAOYSA-N -1 1 236.235 0.260 20 0 BCADMM CCOCCn1ccnc1-c1nnn[n-]1 ZINC000825605580 587327086 /nfs/dbraw/zinc/32/70/86/587327086.db2.gz YGEFINKQUGCVNY-UHFFFAOYSA-N -1 1 208.225 0.100 20 0 BCADMM CCOCCn1ccnc1-c1nn[n-]n1 ZINC000825605580 587327088 /nfs/dbraw/zinc/32/70/88/587327088.db2.gz YGEFINKQUGCVNY-UHFFFAOYSA-N -1 1 208.225 0.100 20 0 BCADMM COCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826154183 587351085 /nfs/dbraw/zinc/35/10/85/587351085.db2.gz JYKWRPLBLWIGHL-ZETCQYMHSA-N -1 1 249.278 0.494 20 0 BCADMM COCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826154183 587351086 /nfs/dbraw/zinc/35/10/86/587351086.db2.gz JYKWRPLBLWIGHL-ZETCQYMHSA-N -1 1 249.278 0.494 20 0 BCADMM COC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826149768 587351171 /nfs/dbraw/zinc/35/11/71/587351171.db2.gz OHEKHUJGQJHOGP-ZCFIWIBFSA-N -1 1 235.251 0.104 20 0 BCADMM COC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826149768 587351172 /nfs/dbraw/zinc/35/11/72/587351172.db2.gz OHEKHUJGQJHOGP-ZCFIWIBFSA-N -1 1 235.251 0.104 20 0 BCADMM COC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826149767 587351659 /nfs/dbraw/zinc/35/16/59/587351659.db2.gz OHEKHUJGQJHOGP-LURJTMIESA-N -1 1 235.251 0.104 20 0 BCADMM COC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826149767 587351660 /nfs/dbraw/zinc/35/16/60/587351660.db2.gz OHEKHUJGQJHOGP-LURJTMIESA-N -1 1 235.251 0.104 20 0 BCADMM Cc1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000826327171 587352016 /nfs/dbraw/zinc/35/20/16/587352016.db2.gz WFWPFOWGFNQABA-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM Cc1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000826327171 587352017 /nfs/dbraw/zinc/35/20/17/587352017.db2.gz WFWPFOWGFNQABA-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H](C)CCO ZINC000826280543 587352158 /nfs/dbraw/zinc/35/21/58/587352158.db2.gz GAIUGMMWUXDZFQ-QMMMGPOBSA-N -1 1 248.290 0.753 20 0 BCADMM Cn1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826362512 587352300 /nfs/dbraw/zinc/35/23/00/587352300.db2.gz VVHXPLHYSLEGSH-UHFFFAOYSA-N -1 1 243.234 0.134 20 0 BCADMM Cn1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826362512 587352301 /nfs/dbraw/zinc/35/23/01/587352301.db2.gz VVHXPLHYSLEGSH-UHFFFAOYSA-N -1 1 243.234 0.134 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](C)O ZINC000826280987 587352353 /nfs/dbraw/zinc/35/23/53/587352353.db2.gz YZGLBEHEKJBXPH-ZETCQYMHSA-N -1 1 234.263 0.363 20 0 BCADMM c1cn(Cc2cscn2)c(-c2nnn[n-]2)n1 ZINC000826524831 587353812 /nfs/dbraw/zinc/35/38/12/587353812.db2.gz MAHSGOYCUARWFK-UHFFFAOYSA-N -1 1 233.260 0.568 20 0 BCADMM c1cn(Cc2cscn2)c(-c2nn[n-]n2)n1 ZINC000826524831 587353813 /nfs/dbraw/zinc/35/38/13/587353813.db2.gz MAHSGOYCUARWFK-UHFFFAOYSA-N -1 1 233.260 0.568 20 0 BCADMM c1cn(C[C@@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC000826524964 587353830 /nfs/dbraw/zinc/35/38/30/587353830.db2.gz QCQZDFLCMNJHST-ZETCQYMHSA-N -1 1 220.236 0.242 20 0 BCADMM c1cn(C[C@@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC000826524964 587353831 /nfs/dbraw/zinc/35/38/31/587353831.db2.gz QCQZDFLCMNJHST-ZETCQYMHSA-N -1 1 220.236 0.242 20 0 BCADMM OCCC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826509106 587353890 /nfs/dbraw/zinc/35/38/90/587353890.db2.gz LQHRRNPQXVTEHZ-UHFFFAOYSA-N -1 1 246.274 0.080 20 0 BCADMM OCCC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826509106 587353891 /nfs/dbraw/zinc/35/38/91/587353891.db2.gz LQHRRNPQXVTEHZ-UHFFFAOYSA-N -1 1 246.274 0.080 20 0 BCADMM CC[C@@H](NC1CN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000826619262 587356616 /nfs/dbraw/zinc/35/66/16/587356616.db2.gz IRJSQUPXOFFIGR-SNVBAGLBSA-N -1 1 238.291 0.823 20 0 BCADMM CC(C)[C@@H](OC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000826723495 587360286 /nfs/dbraw/zinc/36/02/86/587360286.db2.gz UYHUXKZSALSACP-SECBINFHSA-N -1 1 241.247 0.390 20 0 BCADMM CC(C)[C@@H](OC(=O)CCc1ncn[nH]1)C(=O)[O-] ZINC000826723495 587360287 /nfs/dbraw/zinc/36/02/87/587360287.db2.gz UYHUXKZSALSACP-SECBINFHSA-N -1 1 241.247 0.390 20 0 BCADMM CC(C)NC(=O)CC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826972202 587367125 /nfs/dbraw/zinc/36/71/25/587367125.db2.gz ZVLRTDREEAEMCV-NSHDSACASA-N -1 1 246.282 0.400 20 0 BCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H]1CCCO1 ZINC000827016170 587368156 /nfs/dbraw/zinc/36/81/56/587368156.db2.gz LSOGMSJWPVWEIL-WDEREUQCSA-N -1 1 245.319 0.975 20 0 BCADMM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1nnc[nH]1 ZINC000827273959 587374824 /nfs/dbraw/zinc/37/48/24/587374824.db2.gz VBWMHNKZZSGDNQ-NTSWFWBYSA-N -1 1 226.236 0.093 20 0 BCADMM CC[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1nnc[nH]1 ZINC000827517758 587385418 /nfs/dbraw/zinc/38/54/18/587385418.db2.gz CCYYEUKXNSZPKU-RITPCOANSA-N -1 1 241.251 0.028 20 0 BCADMM CC[C@H](NC(=O)[O-])C(=O)OCc1n[nH]c(C)n1 ZINC000827547621 587387196 /nfs/dbraw/zinc/38/71/96/587387196.db2.gz HJUXSCSXKAVDDD-LURJTMIESA-N -1 1 242.235 0.203 20 0 BCADMM C[C@@H]1CCN(Cn2cc(C(=O)[O-])nn2)[C@@H]1C ZINC000828296455 587432397 /nfs/dbraw/zinc/43/23/97/587432397.db2.gz YTZNXTGCBLJWIT-HTQZYQBOSA-N -1 1 224.264 0.664 20 0 BCADMM CN(Cc1cnn(C)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828411814 587440614 /nfs/dbraw/zinc/44/06/14/587440614.db2.gz VEZJRPNECJCWSB-SNVBAGLBSA-N -1 1 238.291 0.604 20 0 BCADMM C[C@@H]1CN(CC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000828438580 587442538 /nfs/dbraw/zinc/44/25/38/587442538.db2.gz DZRUMHQPHXIXQK-RKDXNWHRSA-N -1 1 243.303 0.981 20 0 BCADMM C[C@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@@H]1C ZINC000828463578 587444264 /nfs/dbraw/zinc/44/42/64/587444264.db2.gz RAGPXIIRDFLYFU-YUMQZZPRSA-N -1 1 224.264 0.522 20 0 BCADMM CCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828563053 587450596 /nfs/dbraw/zinc/45/05/96/587450596.db2.gz VSKNEIPGXSYPDU-VIFPVBQESA-N -1 1 228.292 0.404 20 0 BCADMM COC(=O)/C(C)=C/CN(C)[C@@H](C)CNC(=O)[O-] ZINC000828601987 587451290 /nfs/dbraw/zinc/45/12/90/587451290.db2.gz SASWHNKZTHLIDK-QRJSTWQJSA-N -1 1 244.291 0.694 20 0 BCADMM C[C@H](NC(=O)c1cnn[nH]1)c1ccnn1C ZINC000828963037 587476051 /nfs/dbraw/zinc/47/60/51/587476051.db2.gz MKTHJBWZIZAHAO-LURJTMIESA-N -1 1 220.236 0.029 20 0 BCADMM COCCOCCN1CCC[C@@H](NC(=O)[O-])C1 ZINC000829001479 587478491 /nfs/dbraw/zinc/47/84/91/587478491.db2.gz AFGGXODBEQENHS-SNVBAGLBSA-N -1 1 246.307 0.381 20 0 BCADMM CC(=O)[C@@H](OC(=O)c1cn[n-]n1)C(C)C ZINC000829184466 587486861 /nfs/dbraw/zinc/48/68/61/587486861.db2.gz HLUCLVNLHMDXJJ-QMMMGPOBSA-N -1 1 211.221 0.575 20 0 BCADMM Cn1nc(C2CC2)nc1COC(=O)c1cn[n-]n1 ZINC000829185531 587487328 /nfs/dbraw/zinc/48/73/28/587487328.db2.gz UAPQOILHINQUQJ-UHFFFAOYSA-N -1 1 248.246 0.168 20 0 BCADMM CCC[C@](C)(NC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000829194032 587487909 /nfs/dbraw/zinc/48/79/09/587487909.db2.gz RNRUFLROJGOKIY-KWQFWETISA-N -1 1 230.308 0.696 20 0 BCADMM CCCCC[C@@H](NC(=O)c1cnn[nH]1)C(=O)[O-] ZINC000829326758 587492731 /nfs/dbraw/zinc/49/27/31/587492731.db2.gz QNYHEWXLXHEKNV-SSDOTTSWSA-N -1 1 240.263 0.568 20 0 BCADMM CCCOC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829519963 587502078 /nfs/dbraw/zinc/50/20/78/587502078.db2.gz XSBLLQMKQQWSKY-GUBZILKMSA-N -1 1 243.303 0.981 20 0 BCADMM CC(C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000829609327 587505634 /nfs/dbraw/zinc/50/56/34/587505634.db2.gz FVVPDADVGPDYQG-UHFFFAOYSA-N -1 1 223.685 0.750 20 0 BCADMM CCN(CC)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829654004 587507498 /nfs/dbraw/zinc/50/74/98/587507498.db2.gz OEBVYNCDJSUFFO-LBPRGKRZSA-N -1 1 242.319 0.698 20 0 BCADMM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)[O-])C1)N(C)C ZINC000829783587 587515876 /nfs/dbraw/zinc/51/58/76/587515876.db2.gz MEHPFWPTGZBKTL-IUCAKERBSA-N -1 1 243.307 0.053 20 0 BCADMM CCC[C@@H](NC(=O)Cc1ncc[nH]1)c1nn[n-]n1 ZINC000829800115 587517111 /nfs/dbraw/zinc/51/71/11/587517111.db2.gz CIGGRGIHTSIRJS-SSDOTTSWSA-N -1 1 249.278 0.123 20 0 BCADMM CCOCCN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000830006656 587532036 /nfs/dbraw/zinc/53/20/36/587532036.db2.gz BSDWONQJTTXCCT-JTQLQIEISA-N -1 1 233.308 0.833 20 0 BCADMM CCc1nnc(CNC(C)(C)CC(=O)[O-])o1 ZINC000830335315 587546338 /nfs/dbraw/zinc/54/63/38/587546338.db2.gz NQZAZFAQBSDWPA-UHFFFAOYSA-N -1 1 227.264 0.975 20 0 BCADMM Cc1nnc(NC(=O)[C@H](C)CN(C)C(=O)[O-])[nH]1 ZINC000830768912 587568920 /nfs/dbraw/zinc/56/89/20/587568920.db2.gz AOLBPBVMJJOQQH-RXMQYKEDSA-N -1 1 241.251 0.298 20 0 BCADMM Cc1n[nH]c(NC(=O)[C@H](C)CN(C)C(=O)[O-])n1 ZINC000830768912 587568921 /nfs/dbraw/zinc/56/89/21/587568921.db2.gz AOLBPBVMJJOQQH-RXMQYKEDSA-N -1 1 241.251 0.298 20 0 BCADMM Cn1nc(CNCCNC(=O)[O-])c2ccccc21 ZINC000831050919 587583914 /nfs/dbraw/zinc/58/39/14/587583914.db2.gz SQAODAXUJLLSDA-UHFFFAOYSA-N -1 1 248.286 0.931 20 0 BCADMM Cn1[n-]c(C(=O)NOC2CCCC2)cc1=O ZINC000831702625 587627961 /nfs/dbraw/zinc/62/79/61/587627961.db2.gz QSQBJZVOWJGCAJ-UHFFFAOYSA-N -1 1 225.248 0.730 20 0 BCADMM O=C([O-])N1CC(NCc2cccnc2)C1 ZINC000831852196 587634070 /nfs/dbraw/zinc/63/40/70/587634070.db2.gz MCOOMXDVOJYJPE-UHFFFAOYSA-N -1 1 207.233 0.533 20 0 BCADMM O=C([O-])N1CC(NCc2ccncc2)C1 ZINC000831852410 587634840 /nfs/dbraw/zinc/63/48/40/587634840.db2.gz PNKZEFVFXNSRTE-UHFFFAOYSA-N -1 1 207.233 0.533 20 0 BCADMM O=C(Cc1ncc[nH]1)[N-]OCCC(F)(F)F ZINC000832558581 587666316 /nfs/dbraw/zinc/66/63/16/587666316.db2.gz RDLDKTVSSJZYCF-UHFFFAOYSA-N -1 1 237.181 0.952 20 0 BCADMM O=C(C[N-]C(=O)C(F)F)c1cncs1 ZINC000832556714 587666351 /nfs/dbraw/zinc/66/63/51/587666351.db2.gz URJYXDBUZVDOBV-UHFFFAOYSA-N -1 1 220.200 0.707 20 0 BCADMM Cn1cc(CCN2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000833044901 587697958 /nfs/dbraw/zinc/69/79/58/587697958.db2.gz JFTTXANKFJRYRF-LLVKDONJSA-N -1 1 241.266 0.461 20 0 BCADMM O=C([O-])CCCCCNC(=O)CN1CCCC1 ZINC000833224806 587702878 /nfs/dbraw/zinc/70/28/78/587702878.db2.gz PZBLRSVRBPJUHF-UHFFFAOYSA-N -1 1 242.319 0.843 20 0 BCADMM C[C@H](C(=O)NCC(=O)[O-])N1CCCSCC1 ZINC000833403901 587713648 /nfs/dbraw/zinc/71/36/48/587713648.db2.gz FJTKFIJCURPEQW-MRVPVSSYSA-N -1 1 246.332 0.015 20 0 BCADMM CC(C)N(CCC(=O)[O-])Cc1nccc(N)n1 ZINC000833497580 587717480 /nfs/dbraw/zinc/71/74/80/587717480.db2.gz GUTHOQGDULRQCH-UHFFFAOYSA-N -1 1 238.291 0.744 20 0 BCADMM C[C@@H](C[N@@H+](CC1OCCO1)C1CC1)C(=O)[O-] ZINC000833516182 587718089 /nfs/dbraw/zinc/71/80/89/587718089.db2.gz GRGNTUZOBGTQLE-QMMMGPOBSA-N -1 1 229.276 0.544 20 0 BCADMM C[C@H](C[N@@H+](C[C@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515972 587718178 /nfs/dbraw/zinc/71/81/78/587718178.db2.gz CBPTUHKRXLTPPN-VXNVDRBHSA-N -1 1 242.275 0.280 20 0 BCADMM C[C@@H](C[N@@H+](C[C@@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515970 587718486 /nfs/dbraw/zinc/71/84/86/587718486.db2.gz CBPTUHKRXLTPPN-CBAPKCEASA-N -1 1 242.275 0.280 20 0 BCADMM C[C@@H]1CN(C(=O)C2CC2)CCN1CCC(=O)[O-] ZINC000833618039 587725303 /nfs/dbraw/zinc/72/53/03/587725303.db2.gz KBLZLYZDFOJRCI-SECBINFHSA-N -1 1 240.303 0.404 20 0 BCADMM CC[C@@H](OC(=O)c1cnc(C)cc1O)C(=O)[O-] ZINC000833646203 587726554 /nfs/dbraw/zinc/72/65/54/587726554.db2.gz QCUBDRHAFSPLEV-SECBINFHSA-N -1 1 239.227 0.703 20 0 BCADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccco2)CC1 ZINC000833770195 587730687 /nfs/dbraw/zinc/73/06/87/587730687.db2.gz ABQOJVVQFXIYLP-NSHDSACASA-N -1 1 239.271 0.937 20 0 BCADMM CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833857143 587736277 /nfs/dbraw/zinc/73/62/77/587736277.db2.gz ZUSAVQOSJMUZTG-SECBINFHSA-N -1 1 243.307 0.149 20 0 BCADMM CCN(CC(=O)N(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833857143 587736279 /nfs/dbraw/zinc/73/62/79/587736279.db2.gz ZUSAVQOSJMUZTG-SECBINFHSA-N -1 1 243.307 0.149 20 0 BCADMM CN(CCNC(=O)[O-])CCc1nccs1 ZINC000833872679 587737560 /nfs/dbraw/zinc/73/75/60/587737560.db2.gz NZEPTTNYNVMQHY-UHFFFAOYSA-N -1 1 229.305 0.885 20 0 BCADMM COCC(C)(C)C(=O)NOC[C@@H](C)NC(=O)[O-] ZINC000833881891 587738070 /nfs/dbraw/zinc/73/80/70/587738070.db2.gz FKXOWDBPBMDKBC-SSDOTTSWSA-N -1 1 248.279 0.363 20 0 BCADMM Cn1ccnc1CNC[C@@H](NC(=O)[O-])C1CC1 ZINC000833955001 587740114 /nfs/dbraw/zinc/74/01/14/587740114.db2.gz BYGWRFCVETVPMJ-SECBINFHSA-N -1 1 238.291 0.556 20 0 BCADMM O=C([O-])NC[C@H]1CCN(Cc2cncnc2)C1 ZINC000834226239 587749331 /nfs/dbraw/zinc/74/93/31/587749331.db2.gz VGFQAQFXVCUJLE-SECBINFHSA-N -1 1 236.275 0.566 20 0 BCADMM CC(C)(O)CONC(=O)c1cncc([O-])c1 ZINC000834622364 587761651 /nfs/dbraw/zinc/76/16/51/587761651.db2.gz VNCTXTZQOSCWNH-UHFFFAOYSA-N -1 1 226.232 0.220 20 0 BCADMM CC[C@@H](C(=O)[N-]OC1CCC1)[C@H](C)O ZINC000842268486 588010061 /nfs/dbraw/zinc/01/00/61/588010061.db2.gz SCZQXGSMXHDXHG-IONNQARKSA-N -1 1 201.266 0.994 20 0 BCADMM CCCO[N-]C(=O)[C@@H](C)N1CCSCC1 ZINC000844085180 588163222 /nfs/dbraw/zinc/16/32/22/588163222.db2.gz FEZMBPLMJBKKER-SECBINFHSA-N -1 1 232.349 0.882 20 0 BCADMM CCCO[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000844084635 588163423 /nfs/dbraw/zinc/16/34/23/588163423.db2.gz DQFDEZHPAKNVGE-MRVPVSSYSA-N -1 1 211.265 0.981 20 0 BCADMM CCO[N-]C(=O)CNc1ccnc(C)c1Cl ZINC000845714294 588242172 /nfs/dbraw/zinc/24/21/72/588242172.db2.gz SXQQMFJGLKWJRF-UHFFFAOYSA-N -1 1 243.694 0.945 20 0 BCADMM CCOCCO[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845957955 588251818 /nfs/dbraw/zinc/25/18/18/588251818.db2.gz HQUJTIJPXJVLML-UHFFFAOYSA-N -1 1 246.307 0.233 20 0 BCADMM CCO[N-]C(=O)CNCc1ncc(CC)s1 ZINC000846084525 588255815 /nfs/dbraw/zinc/25/58/15/588255815.db2.gz FFPYSHZRZRIKLP-UHFFFAOYSA-N -1 1 243.332 0.863 20 0 BCADMM C[C@H]1C[C@@H](C(=O)NOC2CC[NH+](C)CC2)CO1 ZINC000846650010 588280817 /nfs/dbraw/zinc/28/08/17/588280817.db2.gz LCFFTCVMUOQHJB-VHSXEESVSA-N -1 1 242.319 0.553 20 0 BCADMM O=CN1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000847369692 588311648 /nfs/dbraw/zinc/31/16/48/588311648.db2.gz NLMCQAJNPWATFV-UHFFFAOYSA-N -1 1 249.270 0.092 20 0 BCADMM CCc1nocc1COC(=O)c1cn[n-]n1 ZINC000848759076 588412645 /nfs/dbraw/zinc/41/26/45/588412645.db2.gz QXSOXLZLICSAQC-UHFFFAOYSA-N -1 1 222.204 0.712 20 0 BCADMM CON(C)CC[N-]C(=O)C(F)(F)F ZINC000849408903 588477281 /nfs/dbraw/zinc/47/72/81/588477281.db2.gz GOTIETPYEFORAQ-UHFFFAOYSA-N -1 1 200.160 0.158 20 0 BCADMM Cc1ccnc(CN2CC3CC2(C(=O)[O-])C3)n1 ZINC000849344285 588473738 /nfs/dbraw/zinc/47/37/38/588473738.db2.gz HSXVXZQSYQDEQL-UHFFFAOYSA-N -1 1 233.271 0.834 20 0 BCADMM CO[C@H](COC(=O)c1cn[n-]n1)C1CCC1 ZINC000849776271 588496945 /nfs/dbraw/zinc/49/69/45/588496945.db2.gz HJZHWPRQSPIRID-SECBINFHSA-N -1 1 225.248 0.777 20 0 BCADMM Cc1nocc1COC(=O)c1cn[n-]n1 ZINC000849777071 588497126 /nfs/dbraw/zinc/49/71/26/588497126.db2.gz TXORGCJSNVJSDH-UHFFFAOYSA-N -1 1 208.177 0.458 20 0 BCADMM Cn1[n-]c(COC(=O)[C@H]2CCC2(C)C)nc1=O ZINC000850071469 588518229 /nfs/dbraw/zinc/51/82/29/588518229.db2.gz RPRNCIGJGAQGRQ-SSDOTTSWSA-N -1 1 239.275 0.588 20 0 BCADMM C[C@@H]1CN([NH2+]CCCC(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000864345034 589354108 /nfs/dbraw/zinc/35/41/08/589354108.db2.gz NDMARDBDLQVOET-RKDXNWHRSA-N -1 1 244.291 0.398 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@H]2CCC(=O)O2)n1 ZINC000865058946 589407191 /nfs/dbraw/zinc/40/71/91/589407191.db2.gz BDTUDQBXBALCKJ-SCSAIBSYSA-N -1 1 242.260 0.171 20 0 BCADMM CCO[N-]C(=O)CNCc1cn(C2CC2)cn1 ZINC000865615377 589451578 /nfs/dbraw/zinc/45/15/78/589451578.db2.gz JPCOTGWBFUZNKS-UHFFFAOYSA-N -1 1 238.291 0.375 20 0 BCADMM O=C(C[C@@H]1Cc2ccccc2O1)Nc1nnn[n-]1 ZINC000865933833 589469214 /nfs/dbraw/zinc/46/92/14/589469214.db2.gz KSFLLVWKHLTSSA-QMMMGPOBSA-N -1 1 245.242 0.532 20 0 BCADMM O=C(C[C@@H]1Cc2ccccc2O1)Nc1nn[n-]n1 ZINC000865933833 589469215 /nfs/dbraw/zinc/46/92/15/589469215.db2.gz KSFLLVWKHLTSSA-QMMMGPOBSA-N -1 1 245.242 0.532 20 0 BCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2nnn[n-]2)C1 ZINC000865933984 589469324 /nfs/dbraw/zinc/46/93/24/589469324.db2.gz MJSMWHRZUHIHOW-PRZNWYJVSA-N -1 1 237.263 0.343 20 0 BCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2nn[n-]n2)C1 ZINC000865933984 589469325 /nfs/dbraw/zinc/46/93/25/589469325.db2.gz MJSMWHRZUHIHOW-PRZNWYJVSA-N -1 1 237.263 0.343 20 0 BCADMM CSCC[C@@H](C)NC(=O)CCc1nn[n-]n1 ZINC000865966698 589470599 /nfs/dbraw/zinc/47/05/99/589470599.db2.gz CLISMMMOILYCRA-SSDOTTSWSA-N -1 1 243.336 0.390 20 0 BCADMM CCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000867900416 589539094 /nfs/dbraw/zinc/53/90/94/589539094.db2.gz PBVRULRGKTUATE-UHFFFAOYSA-N -1 1 238.209 0.533 20 0 BCADMM CC1(C)CC[C@@H]1NC(=O)CCc1nn[n-]n1 ZINC000868336538 589555593 /nfs/dbraw/zinc/55/55/93/589555593.db2.gz WQRDGCKOLPXOHD-ZETCQYMHSA-N -1 1 223.280 0.437 20 0 BCADMM CCc1[n-]n(-c2ncnc3[nH]cnc32)c(=O)c1F ZINC000871949309 589839430 /nfs/dbraw/zinc/83/94/30/589839430.db2.gz WFZBLFBVVVSIQH-ZCFIWIBFSA-N -1 1 248.221 0.804 20 0 BCADMM Cn1ncc(CN2C3CCC2(C(=O)[O-])CC3)n1 ZINC000872162726 589886943 /nfs/dbraw/zinc/88/69/43/589886943.db2.gz NPVFJUNTRYCGGT-UHFFFAOYSA-N -1 1 236.275 0.397 20 0 BCADMM O=S(=O)([N-]c1ccn(CCF)n1)N1CCC1 ZINC000872404745 589935503 /nfs/dbraw/zinc/93/55/03/589935503.db2.gz CMLQAXJJPMJYDB-UHFFFAOYSA-N -1 1 248.283 0.215 20 0 BCADMM c1nc(-c2nn[n-]n2)nn1CCc1cccnc1 ZINC000095146981 598891414 /nfs/dbraw/zinc/89/14/14/598891414.db2.gz KOJLINWFISESIQ-UHFFFAOYSA-N -1 1 242.246 0.096 20 0 BCADMM C[C@]1(C(=O)[O-])CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000873642170 590065441 /nfs/dbraw/zinc/06/54/41/590065441.db2.gz OSELBOOAOCZPGV-KWQFWETISA-N -1 1 227.260 0.646 20 0 BCADMM CCn1nc(C)c(C=C2SC(=O)[N-]C2=O)n1 ZINC000874929504 590155877 /nfs/dbraw/zinc/15/58/77/590155877.db2.gz FVBLMEXYKGCCTI-QPJJXVBHSA-N -1 1 238.272 0.930 20 0 BCADMM Cc1nonc1[N-]C(=O)c1conc1C ZINC000875270254 590162429 /nfs/dbraw/zinc/16/24/29/590162429.db2.gz RHNHFBUEPMEECF-UHFFFAOYSA-N -1 1 208.177 0.927 20 0 BCADMM O=C(CCc1nn[n-]n1)N[C@@H]1CCCC2(CC2)C1 ZINC000888691678 590182762 /nfs/dbraw/zinc/18/27/62/590182762.db2.gz KXNVCZVEQYITJU-SECBINFHSA-N -1 1 249.318 0.971 20 0 BCADMM CCO[N-]C(=O)[C@H](N)c1cccc(OC)c1 ZINC000876706137 590232294 /nfs/dbraw/zinc/23/22/94/590232294.db2.gz IDXWHIVWSMROCT-SNVBAGLBSA-N -1 1 224.260 0.763 20 0 BCADMM Cn1[n-]cc2c(=NC(=O)N3CC=CC3)ccnc1-2 ZINC000879416599 590765264 /nfs/dbraw/zinc/76/52/64/590765264.db2.gz WMISSUWCCDERFD-UHFFFAOYSA-N -1 1 243.270 0.746 20 0 BCADMM O=c1[n-]c(CN2CC[C@H]3CSC[C@@H]3C2)n[nH]1 ZINC000879563382 590802639 /nfs/dbraw/zinc/80/26/39/590802639.db2.gz SJCQAXLNNYXSBA-YUMQZZPRSA-N -1 1 240.332 0.695 20 0 BCADMM CC[C@@H](CO)C(=O)[N-]OCCCC(=O)OC ZINC000888816628 591049996 /nfs/dbraw/zinc/04/99/96/591049996.db2.gz OVTPJEYHEIMMLH-QMMMGPOBSA-N -1 1 233.264 0.006 20 0 BCADMM CC[C@@H](O)[C@H](C)C(=O)[N-]OCCCC(=O)OC ZINC000888818147 591074948 /nfs/dbraw/zinc/07/49/48/591074948.db2.gz UZZHGSZGUWRZOE-DTWKUNHWSA-N -1 1 247.291 0.394 20 0 BCADMM CON(C)CCNC(=O)c1ncccc1[O-] ZINC000880642756 591113802 /nfs/dbraw/zinc/11/38/02/591113802.db2.gz QXOCKFIHFYMZDZ-UHFFFAOYSA-N -1 1 225.248 0.010 20 0 BCADMM CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000095133335 607103916 /nfs/dbraw/zinc/10/39/16/607103916.db2.gz KGWVRBCLFKTKCW-UHFFFAOYSA-N -1 1 210.222 0.282 20 0 BCADMM CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000095133335 607103917 /nfs/dbraw/zinc/10/39/17/607103917.db2.gz KGWVRBCLFKTKCW-UHFFFAOYSA-N -1 1 210.222 0.282 20 0 BCADMM Cc1nocc1[N-]S(=O)(=O)N(C)C(C)C ZINC000882748654 591428717 /nfs/dbraw/zinc/42/87/17/591428717.db2.gz PYCWVQQNYGJLHD-UHFFFAOYSA-N -1 1 233.293 0.980 20 0 BCADMM COCCONC(=O)c1cncc([O-])c1 ZINC000133755728 591852598 /nfs/dbraw/zinc/85/25/98/591852598.db2.gz KSQZQPMGXNUAAU-UHFFFAOYSA-N -1 1 212.205 0.095 20 0 BCADMM O=S(=O)([N-]C[C@H]1CCCO1)c1ccns1 ZINC000884870069 592025800 /nfs/dbraw/zinc/02/58/00/592025800.db2.gz DXFJNTOMKIGCIZ-SSDOTTSWSA-N -1 1 248.329 0.600 20 0 BCADMM O=S(=O)([N-]CCCF)c1ccns1 ZINC000885063282 592043140 /nfs/dbraw/zinc/04/31/40/592043140.db2.gz FHYQPVFXJKMLIG-UHFFFAOYSA-N -1 1 224.282 0.781 20 0 BCADMM C[C@@H](CF)[N-]S(=O)(=O)c1ccco1 ZINC000885410254 592076723 /nfs/dbraw/zinc/07/67/23/592076723.db2.gz IDTUPEURGLPHGO-LURJTMIESA-N -1 1 207.226 0.916 20 0 BCADMM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]C(CF)CF ZINC000885417329 592077703 /nfs/dbraw/zinc/07/77/03/592077703.db2.gz YUDOZNBLSDEXPZ-SVRRBLITSA-N -1 1 243.275 0.391 20 0 BCADMM O=c1[n-]c(CN2CC[C@@]3(CO)CCC[C@@H]23)n[nH]1 ZINC000886631764 592282627 /nfs/dbraw/zinc/28/26/27/592282627.db2.gz WFAJLBISURQGRY-LDYMZIIASA-N -1 1 238.291 0.247 20 0 BCADMM CC(C)(CNC(=O)CCc1nn[n-]n1)C1CC1 ZINC000887370042 592494694 /nfs/dbraw/zinc/49/46/94/592494694.db2.gz DQRPYFLFFHJQQY-UHFFFAOYSA-N -1 1 237.307 0.685 20 0 BCADMM CCS(=O)(=O)CCN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223800185 592543827 /nfs/dbraw/zinc/54/38/27/592543827.db2.gz HCZPFMDKSKCSPQ-IUCAKERBSA-N -1 1 249.332 0.074 20 0 BCADMM COC(=O)[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC000888065307 592572262 /nfs/dbraw/zinc/57/22/62/592572262.db2.gz YXAOBNAMTJQYDW-SSDOTTSWSA-N -1 1 236.227 0.175 20 0 BCADMM O=C(CCCc1nn[n-]n1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889610071 592628334 /nfs/dbraw/zinc/62/83/34/592628334.db2.gz FGIDKUKCHZBNQB-LPEHRKFASA-N -1 1 249.318 0.827 20 0 BCADMM CC#CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000095130233 599122506 /nfs/dbraw/zinc/12/25/06/599122506.db2.gz QLAZECAKPYQPRH-UHFFFAOYSA-N -1 1 244.258 0.064 20 0 BCADMM CN(Cc1cc[nH]n1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739706405 603345485 /nfs/dbraw/zinc/34/54/85/603345485.db2.gz XTVGZROCKLIGIJ-VIFPVBQESA-N -1 1 238.291 0.841 20 0 BCADMM O=C([O-])c1coc(CN2CCC(O)CC2)c1 ZINC000051330177 599844673 /nfs/dbraw/zinc/84/46/73/599844673.db2.gz OQHLPGYGBQNIFK-UHFFFAOYSA-N -1 1 225.244 0.935 20 0 BCADMM CC(C)(CCC(=O)[O-])NC(=O)c1cnn[nH]1 ZINC000070842089 596962687 /nfs/dbraw/zinc/96/26/87/596962687.db2.gz ALXUVXRNBDYWNZ-UHFFFAOYSA-N -1 1 226.236 0.178 20 0 BCADMM CC(C)[C@@H](C)NC(=O)CN(C)CCC(=O)[O-] ZINC000037933185 597001854 /nfs/dbraw/zinc/00/18/54/597001854.db2.gz CFUWBOXGZSGBHM-SECBINFHSA-N -1 1 230.308 0.554 20 0 BCADMM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-] ZINC000082246877 597031618 /nfs/dbraw/zinc/03/16/18/597031618.db2.gz GWZQULDPCCCPOP-ZJUUUORDSA-N -1 1 242.319 0.696 20 0 BCADMM COCc1nc(CN[C@H](C)C(=O)[O-])cs1 ZINC000694739232 597152797 /nfs/dbraw/zinc/15/27/97/597152797.db2.gz MFUDCGSJZVDCQP-ZCFIWIBFSA-N -1 1 230.289 0.852 20 0 BCADMM CCN(CC(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC000381459010 597372657 /nfs/dbraw/zinc/37/26/57/597372657.db2.gz JDEYTVZYXJKHIQ-ZETCQYMHSA-N -1 1 214.265 0.060 20 0 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COC[C@@H](C)S(=O)(=O)[N-]CC(F)F ZINC000074969652 384038995 /nfs/dbraw/zinc/03/89/95/384038995.db2.gz BDVSVLDZJFHJPX-RXMQYKEDSA-N -1 1 217.237 0.206 20 0 BCADMM Cc1nc(S[C@@H]2CCNC2=O)[n-]c(=O)c1C ZINC000408124108 134397759 /nfs/dbraw/zinc/39/77/59/134397759.db2.gz MTKFHQUNDURJAY-SSDOTTSWSA-N -1 1 239.300 0.780 20 0 BCADMM C[C@@H](O)CN(C)C(=O)c1cncc([O-])c1 ZINC000082644164 384253631 /nfs/dbraw/zinc/25/36/31/384253631.db2.gz SHWSPPWBLQOVAW-SSDOTTSWSA-N -1 1 210.233 0.240 20 0 BCADMM Cc1cnc(C(=O)N2CCO[C@@H](C)C2)c([O-])c1 ZINC000357855073 384415873 /nfs/dbraw/zinc/41/58/73/384415873.db2.gz DOKBYNMEOITDHV-VIFPVBQESA-N -1 1 236.271 0.957 20 0 BCADMM C[C@H](NC(=O)c1cncc([O-])c1)[C@@H]1CCOC1 ZINC000135389076 384440384 /nfs/dbraw/zinc/44/03/84/384440384.db2.gz MEZHJFZGBMQTDG-DTWKUNHWSA-N -1 1 236.271 0.942 20 0 BCADMM C[C@](O)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC000331791962 384524806 /nfs/dbraw/zinc/52/48/06/384524806.db2.gz CMUFAIJYERLIQA-LBPRGKRZSA-N -1 1 236.271 0.678 20 0 BCADMM C[C@H](O)C[C@H](C)CNC(=O)c1ncccc1[O-] ZINC000176134707 384554879 /nfs/dbraw/zinc/55/48/79/384554879.db2.gz BPVQWOFAIOIQCX-IUCAKERBSA-N -1 1 238.287 0.924 20 0 BCADMM COCCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408196478 384579042 /nfs/dbraw/zinc/57/90/42/384579042.db2.gz CPSKELWOYXUVQG-MRVPVSSYSA-N -1 1 226.280 0.684 20 0 BCADMM O=C([O-])c1ccc(CN2CC[C@H](O)C2)o1 ZINC000061708003 384669550 /nfs/dbraw/zinc/66/95/50/384669550.db2.gz ZRZCDQIPLHXMJB-ZETCQYMHSA-N -1 1 211.217 0.544 20 0 BCADMM CC(C)C[C@H](C)C(=O)NN1CC(=O)[N-]C1=O ZINC000184695796 384635516 /nfs/dbraw/zinc/63/55/16/384635516.db2.gz CCIZDRUOUUBCRA-ZETCQYMHSA-N -1 1 227.264 0.252 20 0 BCADMM C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)C(F)(F)F ZINC000357050175 384762429 /nfs/dbraw/zinc/76/24/29/384762429.db2.gz INKJSPODPWOZPL-SCSAIBSYSA-N -1 1 249.196 0.503 20 0 BCADMM C[C@@H](CO)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000126747697 384827343 /nfs/dbraw/zinc/82/73/43/384827343.db2.gz QGVPLDRUJJYRBA-YUMQZZPRSA-N -1 1 224.260 0.534 20 0 BCADMM O=S(=O)(CC1CC1)c1n[n-]c(C2CC2)n1 ZINC000151802234 384796950 /nfs/dbraw/zinc/79/69/50/384796950.db2.gz OCNCROWNLKZBGT-UHFFFAOYSA-N -1 1 227.289 0.866 20 0 BCADMM CCCCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370860910 385039338 /nfs/dbraw/zinc/03/93/38/385039338.db2.gz WWNJAJGBBIGSBN-QMMMGPOBSA-N -1 1 239.279 0.290 20 0 BCADMM CC1(C)COC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000313015889 385158070 /nfs/dbraw/zinc/15/80/70/385158070.db2.gz GPBOMJZTNAMWPU-VIFPVBQESA-N -1 1 236.271 0.942 20 0 BCADMM CCS(=O)(=O)[N-]c1cc(C(=O)OC)ccn1 ZINC000130077468 385218351 /nfs/dbraw/zinc/21/83/51/385218351.db2.gz KQCDKUJVOSTKKM-UHFFFAOYSA-N -1 1 244.272 0.630 20 0 BCADMM C[C@]1(O)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000177412725 385236258 /nfs/dbraw/zinc/23/62/58/385236258.db2.gz LNURAZBEIYIICX-NSHDSACASA-N -1 1 222.244 0.384 20 0 BCADMM CO[C@H](C)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000190611295 385250581 /nfs/dbraw/zinc/25/05/81/385250581.db2.gz QZCWRIGPYVHDJN-JGVFFNPUSA-N -1 1 224.260 0.940 20 0 BCADMM O=S(=O)(C[C@H]1CCCCO1)c1nc[n-]n1 ZINC000408444759 385305251 /nfs/dbraw/zinc/30/52/51/385305251.db2.gz VZSUVAGEMMFLBL-SSDOTTSWSA-N -1 1 231.277 0.148 20 0 BCADMM CCS(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000130577169 385263739 /nfs/dbraw/zinc/26/37/39/385263739.db2.gz NXXHGHFGBXSQMQ-UHFFFAOYSA-N -1 1 229.305 0.909 20 0 BCADMM COCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407994123 385328944 /nfs/dbraw/zinc/32/89/44/385328944.db2.gz APPNPKSOBWZZPE-SSDOTTSWSA-N -1 1 241.247 0.128 20 0 BCADMM CCC[C@@H]1C[C@H]1C(=O)NCc1nn[n-]n1 ZINC000643982622 385347746 /nfs/dbraw/zinc/34/77/46/385347746.db2.gz FUKIHXRBZBCCCQ-RNFRBKRXSA-N -1 1 209.253 0.252 20 0 BCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCC[N@@H+]1C ZINC000427902692 385349750 /nfs/dbraw/zinc/34/97/50/385349750.db2.gz OQJRZTZNAQZBIW-NXEZZACHSA-N -1 1 249.314 1.000 20 0 BCADMM C[C@H](O)CCN(C)C(=O)c1ncccc1[O-] ZINC000131824447 385363500 /nfs/dbraw/zinc/36/35/00/385363500.db2.gz AXSDIMGIXUPZFY-QMMMGPOBSA-N -1 1 224.260 0.630 20 0 BCADMM Cc1nn(C)cc1CNC(=O)c1cncc([O-])c1 ZINC000168881176 385391238 /nfs/dbraw/zinc/39/12/38/385391238.db2.gz SWCSZRGFJYDZFD-UHFFFAOYSA-N -1 1 246.270 0.759 20 0 BCADMM C[C@@H](O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000193170905 385386876 /nfs/dbraw/zinc/38/68/76/385386876.db2.gz VRCIVGPDUMGFHQ-SSDOTTSWSA-N -1 1 216.258 0.547 20 0 BCADMM NCC(F)(F)CNC(=O)c1ncccc1[O-] ZINC000164886489 385325332 /nfs/dbraw/zinc/32/53/32/385325332.db2.gz HERKVDNYHHCPOG-UHFFFAOYSA-N -1 1 231.202 0.111 20 0 BCADMM CN(CCCO)C(=O)c1ncccc1[O-] ZINC000281676660 385443990 /nfs/dbraw/zinc/44/39/90/385443990.db2.gz CCKYTIXWMJLYAX-UHFFFAOYSA-N -1 1 210.233 0.242 20 0 BCADMM COC(=O)CCCNC(=O)c1ncccc1[O-] ZINC000171234090 385474156 /nfs/dbraw/zinc/47/41/56/385474156.db2.gz JNRTXXSAVBFFMZ-UHFFFAOYSA-N -1 1 238.243 0.470 20 0 BCADMM CC=CC=CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000492981280 385479213 /nfs/dbraw/zinc/47/92/13/385479213.db2.gz IOJMHNRWOJWWEP-MQQKCMAXSA-N -1 1 219.248 0.437 20 0 BCADMM COC[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000171422920 385483409 /nfs/dbraw/zinc/48/34/09/385483409.db2.gz PFNURRIYGRZCJV-NSHDSACASA-N -1 1 246.270 0.922 20 0 BCADMM CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195158006 385462030 /nfs/dbraw/zinc/46/20/30/385462030.db2.gz KQPRJKHVFMXHDW-UHFFFAOYSA-N -1 1 243.313 0.861 20 0 BCADMM CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195158006 385462034 /nfs/dbraw/zinc/46/20/34/385462034.db2.gz KQPRJKHVFMXHDW-UHFFFAOYSA-N -1 1 243.313 0.861 20 0 BCADMM CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195158006 385462036 /nfs/dbraw/zinc/46/20/36/385462036.db2.gz KQPRJKHVFMXHDW-UHFFFAOYSA-N -1 1 243.313 0.861 20 0 BCADMM CC[C@H](CO)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000281009667 385627371 /nfs/dbraw/zinc/62/73/71/385627371.db2.gz SBHXAIJQDKGVLR-SECBINFHSA-N -1 1 237.255 0.462 20 0 BCADMM CO[C@@H](C)c1nc(=NC[C@@H](C)O)s[n-]1 ZINC000336653144 385656235 /nfs/dbraw/zinc/65/62/35/385656235.db2.gz LIKDFBPGOATCQV-RITPCOANSA-N -1 1 217.294 0.460 20 0 BCADMM C[C@H](CN(C)C(=O)COC(F)F)c1nn[n-]n1 ZINC000354773731 385666135 /nfs/dbraw/zinc/66/61/35/385666135.db2.gz ACBYXFYAXBMWMM-RXMQYKEDSA-N -1 1 249.221 0.001 20 0 BCADMM COCc1nc(=NC[C@@H](CO)C(C)C)s[n-]1 ZINC000336688168 385708710 /nfs/dbraw/zinc/70/87/10/385708710.db2.gz JPMGJRXQEXODOB-QMMMGPOBSA-N -1 1 245.348 0.783 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@@H](O)CCc1ccccc1 ZINC000271055125 385779525 /nfs/dbraw/zinc/77/95/25/385779525.db2.gz UQIOXUHAZZCNJM-VIFPVBQESA-N -1 1 247.258 0.132 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@@H](O)CCc1ccccc1 ZINC000271055125 385779528 /nfs/dbraw/zinc/77/95/28/385779528.db2.gz UQIOXUHAZZCNJM-VIFPVBQESA-N -1 1 247.258 0.132 20 0 BCADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCNC1=O ZINC000282036744 385726329 /nfs/dbraw/zinc/72/63/29/385726329.db2.gz BGXYLGDGIPBPRD-QMMMGPOBSA-N -1 1 249.270 0.138 20 0 BCADMM COc1cccc(NC(=O)Cc2nn[n-]n2)c1 ZINC000095192175 385850087 /nfs/dbraw/zinc/85/00/87/385850087.db2.gz QTPGIBHVOXBWSC-UHFFFAOYSA-N -1 1 233.231 0.390 20 0 BCADMM O=C(Nc1nnn[n-]1)C(C1CC1)C1CC1 ZINC000338060756 385884308 /nfs/dbraw/zinc/88/43/08/385884308.db2.gz LWSJLKJXAUZPGW-UHFFFAOYSA-N -1 1 207.237 0.574 20 0 BCADMM O=C(Nc1nn[n-]n1)C(C1CC1)C1CC1 ZINC000338060756 385884310 /nfs/dbraw/zinc/88/43/10/385884310.db2.gz LWSJLKJXAUZPGW-UHFFFAOYSA-N -1 1 207.237 0.574 20 0 BCADMM C[C@@H](CCO)NC(=O)c1cncc([O-])c1 ZINC000123516225 385890911 /nfs/dbraw/zinc/89/09/11/385890911.db2.gz XBZYWCSQUHKETH-ZETCQYMHSA-N -1 1 210.233 0.288 20 0 BCADMM CCC[C@H](NC(=O)C(C)(F)F)c1nn[n-]n1 ZINC000294973799 385930337 /nfs/dbraw/zinc/93/03/37/385930337.db2.gz NFVTXWQGGTZLBV-YFKPBYRVSA-N -1 1 233.222 0.812 20 0 BCADMM O=C(Nc1nn[n-]n1)c1cc2c([nH]1)CCCC2 ZINC000294816957 385899443 /nfs/dbraw/zinc/89/94/43/385899443.db2.gz KAWWGGWFKDUNGY-UHFFFAOYSA-N -1 1 232.247 0.659 20 0 BCADMM CO[N-]C(=O)C[C@@](C)(O)c1ccccc1 ZINC000272572507 385913606 /nfs/dbraw/zinc/91/36/06/385913606.db2.gz IMHJGUZSWGPATQ-LLVKDONJSA-N -1 1 209.245 0.962 20 0 BCADMM COCc1nc(=NC[C@@H](CO)C2CC2)s[n-]1 ZINC000336720026 385860565 /nfs/dbraw/zinc/86/05/65/385860565.db2.gz YRADFVGRDAFLPR-QMMMGPOBSA-N -1 1 243.332 0.537 20 0 BCADMM Cc1[nH][nH]c(=O)c1NC(=O)c1ncccc1[O-] ZINC000647815888 385868107 /nfs/dbraw/zinc/86/81/07/385868107.db2.gz PMQLFAMFKNBBNV-UHFFFAOYSA-N -1 1 234.215 0.777 20 0 BCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ncccc1O ZINC000647815888 385868112 /nfs/dbraw/zinc/86/81/12/385868112.db2.gz PMQLFAMFKNBBNV-UHFFFAOYSA-N -1 1 234.215 0.777 20 0 BCADMM C[C@@H](C(=O)[O-])N1CCN(CC(F)F)CC1 ZINC000051659825 385872392 /nfs/dbraw/zinc/87/23/92/385872392.db2.gz ZVEQFMAEBWLXAY-ZETCQYMHSA-N -1 1 222.235 0.342 20 0 BCADMM CO[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC000286256950 386013215 /nfs/dbraw/zinc/01/32/15/386013215.db2.gz DVWGUNNTDPYZQB-MRVPVSSYSA-N -1 1 224.260 0.894 20 0 BCADMM C[C@]1(C(=O)NCc2nn[n-]n2)C[C@H]2C[C@H]2C1 ZINC000645388382 386020518 /nfs/dbraw/zinc/02/05/18/386020518.db2.gz KJBLERYAFHACGL-MTBHXBHISA-N -1 1 221.264 0.252 20 0 BCADMM COC[C@@H](CO)NC(=O)c1c([O-])cccc1F ZINC000234839665 386107248 /nfs/dbraw/zinc/10/72/48/386107248.db2.gz CGKAQFSFCHOYIS-SSDOTTSWSA-N -1 1 243.234 0.268 20 0 BCADMM COC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC000124478897 386058109 /nfs/dbraw/zinc/05/81/09/386058109.db2.gz NREAFUXJAROQKU-VIFPVBQESA-N -1 1 236.271 0.942 20 0 BCADMM CO[C@@H](C)CN(C)C(=O)c1cncc([O-])c1 ZINC000286697098 386066065 /nfs/dbraw/zinc/06/60/65/386066065.db2.gz ZICQWZJZVVUHED-QMMMGPOBSA-N -1 1 224.260 0.894 20 0 BCADMM CC(C)c1noc(=NCCc2nc[nH]n2)[n-]1 ZINC000336728513 386077562 /nfs/dbraw/zinc/07/75/62/386077562.db2.gz COUYFWRBWGGNTB-UHFFFAOYSA-N -1 1 222.252 0.388 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@H]1Cc2ccccc2O1 ZINC000365417339 386085828 /nfs/dbraw/zinc/08/58/28/386085828.db2.gz YDQGVIZLPNKCAW-MRVPVSSYSA-N -1 1 231.215 0.142 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@H]1Cc2ccccc2O1 ZINC000365417339 386085830 /nfs/dbraw/zinc/08/58/30/386085830.db2.gz YDQGVIZLPNKCAW-MRVPVSSYSA-N -1 1 231.215 0.142 20 0 BCADMM Cc1cnc(C(=O)N2CC(O)(C3CC3)C2)c([O-])c1 ZINC000408400806 386087970 /nfs/dbraw/zinc/08/79/70/386087970.db2.gz XIJDAANWVSDWKH-UHFFFAOYSA-N -1 1 248.282 0.693 20 0 BCADMM CN(CC(C)(C)CO)C(=O)c1ncccc1[O-] ZINC000296394674 386170511 /nfs/dbraw/zinc/17/05/11/386170511.db2.gz WETOPGKGFIPHFB-UHFFFAOYSA-N -1 1 238.287 0.878 20 0 BCADMM Cn1[n-]c(CN2CCNc3ccccc32)nc1=O ZINC000647969223 386176932 /nfs/dbraw/zinc/17/69/32/386176932.db2.gz BCELQTQUJPPLQW-UHFFFAOYSA-N -1 1 245.286 0.541 20 0 BCADMM COC(=O)[C@H](CF)[N-]C(=O)C(C)(Cl)Cl ZINC000288230611 386177883 /nfs/dbraw/zinc/17/78/83/386177883.db2.gz KEAJDYXDBOSASK-BYPYZUCNSA-N -1 1 246.065 0.808 20 0 BCADMM COCc1cccc(CC(=O)Nc2nnn[n-]2)c1 ZINC000275168376 386189431 /nfs/dbraw/zinc/18/94/31/386189431.db2.gz RXBHQXVEVMBGAL-UHFFFAOYSA-N -1 1 247.258 0.527 20 0 BCADMM COCc1cccc(CC(=O)Nc2nn[n-]n2)c1 ZINC000275168376 386189433 /nfs/dbraw/zinc/18/94/33/386189433.db2.gz RXBHQXVEVMBGAL-UHFFFAOYSA-N -1 1 247.258 0.527 20 0 BCADMM O=C(C(=O)N1CCCOC1)c1ccc([O-])cc1 ZINC000297189375 386230991 /nfs/dbraw/zinc/23/09/91/386230991.db2.gz VEAJJMNOIVMLPW-UHFFFAOYSA-N -1 1 235.239 0.781 20 0 BCADMM Cc1ccn2ncc(C(=O)Nc3nnn[n-]3)c2c1 ZINC000347134750 386240313 /nfs/dbraw/zinc/24/03/13/386240313.db2.gz HDAXJENXCQFBEI-UHFFFAOYSA-N -1 1 243.230 0.408 20 0 BCADMM Cc1ccn2ncc(C(=O)Nc3nn[n-]n3)c2c1 ZINC000347134750 386240330 /nfs/dbraw/zinc/24/03/30/386240330.db2.gz HDAXJENXCQFBEI-UHFFFAOYSA-N -1 1 243.230 0.408 20 0 BCADMM Cc1ccn(C)c1C(=O)Nc1nn[n-]n1 ZINC000275907334 386251373 /nfs/dbraw/zinc/25/13/73/386251373.db2.gz SVKNSCVWBJIOSF-UHFFFAOYSA-N -1 1 206.209 0.099 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@@H]2CCCOC2)n1 ZINC000263946794 386194932 /nfs/dbraw/zinc/19/49/32/386194932.db2.gz VRBCKJUWWUGLKD-ZCFIWIBFSA-N -1 1 242.304 0.892 20 0 BCADMM CCC[C@H]1C[C@@H](C(=O)Nc2nnn[n-]2)CCO1 ZINC000356341665 386359466 /nfs/dbraw/zinc/35/94/66/386359466.db2.gz ODRMASWCWJZHNF-YUMQZZPRSA-N -1 1 239.279 0.734 20 0 BCADMM CCC[C@H]1C[C@@H](C(=O)Nc2nn[n-]n2)CCO1 ZINC000356341665 386359470 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CCC[C@H](C)CC(=O)NN1CC(=O)[N-]C1=O ZINC000195436874 644390147 /nfs/dbraw/zinc/39/01/47/644390147.db2.gz KTELHWGLAUAHQJ-ZETCQYMHSA-N -1 1 227.264 0.396 20 0 BCADMM CO[C@@H](C)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000195458674 644392221 /nfs/dbraw/zinc/39/22/21/644392221.db2.gz GELSNGWIPZERGN-WCBMZHEXSA-N -1 1 217.265 0.986 20 0 BCADMM CC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953419483 644460698 /nfs/dbraw/zinc/46/06/98/644460698.db2.gz FZDXOUOXYGGTOO-UHFFFAOYSA-N -1 1 249.270 0.090 20 0 BCADMM NC(=O)CONC(=O)c1cc(Cl)ccc1[O-] ZINC000089462930 644551781 /nfs/dbraw/zinc/55/17/81/644551781.db2.gz IJXZIJOKKLIPSA-UHFFFAOYSA-N -1 1 244.634 0.192 20 0 BCADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc[nH]2)C1 ZINC000089680883 644561660 /nfs/dbraw/zinc/56/16/60/644561660.db2.gz REHGKZLJJRJBPW-LLVKDONJSA-N -1 1 237.259 0.737 20 0 BCADMM CON(C)CCC[N-]C(=O)C(F)(F)F ZINC000091537202 644627381 /nfs/dbraw/zinc/62/73/81/644627381.db2.gz PAVYGZMRUXDZMA-UHFFFAOYSA-N -1 1 214.187 0.548 20 0 BCADMM 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O=C([N-]OCC1CC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000817339442 644973934 /nfs/dbraw/zinc/97/39/34/644973934.db2.gz IWQRNFMOAQLADQ-SECBINFHSA-N -1 1 238.287 0.455 20 0 BCADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000928042188 645687499 /nfs/dbraw/zinc/68/74/99/645687499.db2.gz YSCKLPOGCJGXNJ-DOLQZWNJSA-N -1 1 249.318 0.683 20 0 BCADMM CCO[N-]C(=O)[C@H]1C[C@@]12c1ccccc1NC2=O ZINC000929712670 646267665 /nfs/dbraw/zinc/26/76/65/646267665.db2.gz ONGYFYJYUMFLKX-NOZJJQNGSA-N -1 1 246.266 0.964 20 0 BCADMM CO[N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)NOC ZINC000929853515 646361259 /nfs/dbraw/zinc/36/12/59/646361259.db2.gz IRLJVZXGNJYMNC-OIBJUYFYSA-N -1 1 230.264 0.004 20 0 BCADMM CCCCSCC(=O)Nc1nnn[n-]1 ZINC000709792795 712227478 /nfs/dbraw/zinc/22/74/78/712227478.db2.gz LZPHHTOYFSDNJC-UHFFFAOYSA-N -1 1 215.282 0.672 20 0 BCADMM CCCCSCC(=O)Nc1nn[n-]n1 ZINC000709792795 712227481 /nfs/dbraw/zinc/22/74/81/712227481.db2.gz LZPHHTOYFSDNJC-UHFFFAOYSA-N -1 1 215.282 0.672 20 0 BCADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1nnn[n-]1 ZINC000709969968 712236194 /nfs/dbraw/zinc/23/61/94/712236194.db2.gz VPFWDKCZFXBAML-XZBKPIIZSA-N -1 1 207.237 0.430 20 0 BCADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1nn[n-]n1 ZINC000709969968 712236195 /nfs/dbraw/zinc/23/61/95/712236195.db2.gz VPFWDKCZFXBAML-XZBKPIIZSA-N -1 1 207.237 0.430 20 0 BCADMM COCCOC(=O)c1csc(=NC2CC2)[n-]1 ZINC000390674132 712423614 /nfs/dbraw/zinc/42/36/14/712423614.db2.gz WPKVXWYMOLTVLQ-UHFFFAOYSA-N -1 1 242.300 0.943 20 0 BCADMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)N(C)C ZINC000846714426 712607684 /nfs/dbraw/zinc/60/76/84/712607684.db2.gz ICUCFZZVDDXBCN-JGVFFNPUSA-N -1 1 216.281 0.258 20 0 BCADMM C[C@H](O)[C@H](O)CNC(=O)c1ccc([O-])cc1F ZINC000717355998 712650205 /nfs/dbraw/zinc/65/02/05/712650205.db2.gz NFIIPGVFMHNNLZ-QUBYGPBYSA-N -1 1 243.234 0.003 20 0 BCADMM C[C@H](O)[C@@H](O)CNC(=O)c1ccc([O-])cc1F ZINC000717355999 712650456 /nfs/dbraw/zinc/65/04/56/712650456.db2.gz NFIIPGVFMHNNLZ-WKEGUHRASA-N -1 1 243.234 0.003 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c1nc(CNc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC000823815677 587241656 /nfs/dbraw/zinc/24/16/56/587241656.db2.gz HPQCTFYSSZSQDN-UHFFFAOYSA-N -1 1 248.275 0.658 20 0 BCADMM c1nc(CNc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC000823815677 587241657 /nfs/dbraw/zinc/24/16/57/587241657.db2.gz HPQCTFYSSZSQDN-UHFFFAOYSA-N -1 1 248.275 0.658 20 0 BCADMM CC(C)(CNCc1cc[nH]n1)NC(=O)[O-] ZINC000824005880 587248014 /nfs/dbraw/zinc/24/80/14/587248014.db2.gz MRQRFHFTMGOTIN-UHFFFAOYSA-N -1 1 212.253 0.546 20 0 BCADMM CCON(C(=O)CCCc1nn[n-]n1)C(C)C ZINC000824041694 587250714 /nfs/dbraw/zinc/25/07/14/587250714.db2.gz PPQFLXWAAAOVPA-UHFFFAOYSA-N -1 1 241.295 0.711 20 0 BCADMM CC(C)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824337762 587266816 /nfs/dbraw/zinc/26/68/16/587266816.db2.gz FZETWUJAJAGONO-MRVPVSSYSA-N -1 1 249.278 0.086 20 0 BCADMM CC(C)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824337762 587266818 /nfs/dbraw/zinc/26/68/18/587266818.db2.gz FZETWUJAJAGONO-MRVPVSSYSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@H](O)C(C)(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824679670 587282460 /nfs/dbraw/zinc/28/24/60/587282460.db2.gz UPLSHBPICHMQNK-ZETCQYMHSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@H](O)C(C)(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824679670 587282462 /nfs/dbraw/zinc/28/24/62/587282462.db2.gz UPLSHBPICHMQNK-ZETCQYMHSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](O)C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824699734 587283164 /nfs/dbraw/zinc/28/31/64/587283164.db2.gz VBNUZBKDGMEWOU-JGVFFNPUSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](O)C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824699734 587283165 /nfs/dbraw/zinc/28/31/65/587283165.db2.gz VBNUZBKDGMEWOU-JGVFFNPUSA-N -1 1 248.290 0.833 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@@H](O)C2CC2)n1 ZINC000824783787 587287136 /nfs/dbraw/zinc/28/71/36/587287136.db2.gz XRYGUNGZMNDXEQ-YFKPBYRVSA-N -1 1 228.277 0.236 20 0 BCADMM CC1(CNc2ccc(-c3nnn[n-]3)nn2)COC1 ZINC000824832018 587289430 /nfs/dbraw/zinc/28/94/30/587289430.db2.gz QJHLTQGYCMAVKC-UHFFFAOYSA-N -1 1 247.262 0.105 20 0 BCADMM CC1(CNc2ccc(-c3nn[n-]n3)nn2)COC1 ZINC000824832018 587289432 /nfs/dbraw/zinc/28/94/32/587289432.db2.gz QJHLTQGYCMAVKC-UHFFFAOYSA-N -1 1 247.262 0.105 20 0 BCADMM C[C@H]1C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824901352 587292294 /nfs/dbraw/zinc/29/22/94/587292294.db2.gz YMXOTDOBHSGUIF-NKWVEPMBSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824901352 587292295 /nfs/dbraw/zinc/29/22/95/587292295.db2.gz YMXOTDOBHSGUIF-NKWVEPMBSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@H](CNC(=O)[O-])N(C)C(=O)Cc1ccn[nH]1 ZINC000824960953 587295256 /nfs/dbraw/zinc/29/52/56/587295256.db2.gz XCDBLZUIZKMFBA-SSDOTTSWSA-N -1 1 240.263 0.067 20 0 BCADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@H](C)N(C)C ZINC000824966965 587295904 /nfs/dbraw/zinc/29/59/04/587295904.db2.gz MRTWGUCCHBZXQW-YUMQZZPRSA-N -1 1 231.296 0.051 20 0 BCADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000825026384 587298893 /nfs/dbraw/zinc/29/88/93/587298893.db2.gz HTGLRQKWPHAAPS-RGOKHQFPSA-N -1 1 227.260 0.453 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825020894 587299100 /nfs/dbraw/zinc/29/91/00/587299100.db2.gz NEEFDECWGAAGRL-JGVFFNPUSA-N -1 1 246.274 0.851 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825020894 587299101 /nfs/dbraw/zinc/29/91/01/587299101.db2.gz NEEFDECWGAAGRL-JGVFFNPUSA-N -1 1 246.274 0.851 20 0 BCADMM CC(C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825345092 587316008 /nfs/dbraw/zinc/31/60/08/587316008.db2.gz RMJYQPAOTZICPI-DTWKUNHWSA-N -1 1 216.281 0.752 20 0 BCADMM CC(C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000825345095 587316166 /nfs/dbraw/zinc/31/61/66/587316166.db2.gz RMJYQPAOTZICPI-RKDXNWHRSA-N -1 1 216.281 0.752 20 0 BCADMM CCOC(=O)/C=C/Cn1ccnc1-c1nnn[n-]1 ZINC000825499868 587321854 /nfs/dbraw/zinc/32/18/54/587321854.db2.gz WHFATSAOFTZNAG-ONEGZZNKSA-N -1 1 248.246 0.183 20 0 BCADMM CCOC(=O)/C=C/Cn1ccnc1-c1nn[n-]n1 ZINC000825499868 587321856 /nfs/dbraw/zinc/32/18/56/587321856.db2.gz WHFATSAOFTZNAG-ONEGZZNKSA-N -1 1 248.246 0.183 20 0 BCADMM Cc1cnc(C(=O)N(C)c2nn[n-]n2)cc1C ZINC000825530675 587323902 /nfs/dbraw/zinc/32/39/02/587323902.db2.gz GSJYNLSPIUGVSS-UHFFFAOYSA-N -1 1 232.247 0.488 20 0 BCADMM CCOCCN(C)c1nccnc1-c1nnn[n-]1 ZINC000825595017 587326423 /nfs/dbraw/zinc/32/64/23/587326423.db2.gz UYEHHFGXAGAGDA-UHFFFAOYSA-N -1 1 249.278 0.129 20 0 BCADMM CCOCCN(C)c1nccnc1-c1nn[n-]n1 ZINC000825595017 587326425 /nfs/dbraw/zinc/32/64/25/587326425.db2.gz UYEHHFGXAGAGDA-UHFFFAOYSA-N -1 1 249.278 0.129 20 0 BCADMM CCSCCn1ccnc1-c1nnn[n-]1 ZINC000825674032 587330821 /nfs/dbraw/zinc/33/08/21/587330821.db2.gz GDXNGGQUOYVFEH-UHFFFAOYSA-N -1 1 224.293 0.816 20 0 BCADMM CCSCCn1ccnc1-c1nn[n-]n1 ZINC000825674032 587330823 /nfs/dbraw/zinc/33/08/23/587330823.db2.gz GDXNGGQUOYVFEH-UHFFFAOYSA-N -1 1 224.293 0.816 20 0 BCADMM C[C@H](C(=O)NCC(=O)[O-])N1C[C@H]2CCC[C@H]21 ZINC000825999471 587348187 /nfs/dbraw/zinc/34/81/87/587348187.db2.gz BLLKKFHSJATHCZ-IWSPIJDZSA-N -1 1 226.276 0.060 20 0 BCADMM C[C@H]1CN(CCC(C)(C)O)CCN1C(=O)[O-] ZINC000826058025 587349648 /nfs/dbraw/zinc/34/96/48/587349648.db2.gz MHPOIJGIJUASOD-VIFPVBQESA-N -1 1 230.308 0.832 20 0 BCADMM COCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826155814 587351603 /nfs/dbraw/zinc/35/16/03/587351603.db2.gz CYHKZNFRVZIDJY-UHFFFAOYSA-N -1 1 249.278 0.495 20 0 BCADMM COCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826155814 587351604 /nfs/dbraw/zinc/35/16/04/587351604.db2.gz CYHKZNFRVZIDJY-UHFFFAOYSA-N -1 1 249.278 0.495 20 0 BCADMM CSCCn1ccnc1-c1nnn[n-]1 ZINC000826229219 587351678 /nfs/dbraw/zinc/35/16/78/587351678.db2.gz UUTVOBMAGDQHRQ-UHFFFAOYSA-N -1 1 210.266 0.426 20 0 BCADMM CSCCn1ccnc1-c1nn[n-]n1 ZINC000826229219 587351679 /nfs/dbraw/zinc/35/16/79/587351679.db2.gz UUTVOBMAGDQHRQ-UHFFFAOYSA-N -1 1 210.266 0.426 20 0 BCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCOCC1 ZINC000826280885 587352197 /nfs/dbraw/zinc/35/21/97/587352197.db2.gz ULXMOAAQSMVZRQ-UHFFFAOYSA-N -1 1 246.274 0.407 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCOCC1 ZINC000826280885 587352198 /nfs/dbraw/zinc/35/21/98/587352198.db2.gz ULXMOAAQSMVZRQ-UHFFFAOYSA-N -1 1 246.274 0.407 20 0 BCADMM O[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826510640 587352881 /nfs/dbraw/zinc/35/28/81/587352881.db2.gz BVTJPKNIXKSOIE-ZETCQYMHSA-N -1 1 235.247 0.026 20 0 BCADMM O[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826510640 587352882 /nfs/dbraw/zinc/35/28/82/587352882.db2.gz BVTJPKNIXKSOIE-ZETCQYMHSA-N -1 1 235.247 0.026 20 0 BCADMM O=C1OCC[C@H]1CCn1ccnc1-c1nnn[n-]1 ZINC000826483102 587353066 /nfs/dbraw/zinc/35/30/66/587353066.db2.gz BBRAFCXJTURMMV-SSDOTTSWSA-N -1 1 248.246 0.016 20 0 BCADMM O=C1OCC[C@H]1CCn1ccnc1-c1nn[n-]n1 ZINC000826483102 587353067 /nfs/dbraw/zinc/35/30/67/587353067.db2.gz BBRAFCXJTURMMV-SSDOTTSWSA-N -1 1 248.246 0.016 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCCOC1 ZINC000826514532 587353725 /nfs/dbraw/zinc/35/37/25/587353725.db2.gz UWWJLIZQKIDJBS-SSDOTTSWSA-N -1 1 247.262 0.248 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCCOC1 ZINC000826514532 587353726 /nfs/dbraw/zinc/35/37/26/587353726.db2.gz UWWJLIZQKIDJBS-SSDOTTSWSA-N -1 1 247.262 0.248 20 0 BCADMM c1cc(N2CCSCC2)nnc1-c1nnn[n-]1 ZINC000826517215 587353869 /nfs/dbraw/zinc/35/38/69/587353869.db2.gz VGXFPHNOKBGBOH-UHFFFAOYSA-N -1 1 249.303 0.210 20 0 BCADMM c1cc(N2CCSCC2)nnc1-c1nn[n-]n1 ZINC000826517215 587353870 /nfs/dbraw/zinc/35/38/70/587353870.db2.gz VGXFPHNOKBGBOH-UHFFFAOYSA-N -1 1 249.303 0.210 20 0 BCADMM c1cn(C[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC000826525152 587353906 /nfs/dbraw/zinc/35/39/06/587353906.db2.gz YPRNWQOALDMKFH-ZETCQYMHSA-N -1 1 220.236 0.100 20 0 BCADMM c1cn(C[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC000826525152 587353907 /nfs/dbraw/zinc/35/39/07/587353907.db2.gz YPRNWQOALDMKFH-ZETCQYMHSA-N -1 1 220.236 0.100 20 0 BCADMM c1cc(N2C3CCC2CC3)nnc1-c1nnn[n-]1 ZINC000826516295 587353924 /nfs/dbraw/zinc/35/39/24/587353924.db2.gz FKWBSGDGWLMARA-UHFFFAOYSA-N -1 1 243.274 0.788 20 0 BCADMM c1cc(N2C3CCC2CC3)nnc1-c1nn[n-]n1 ZINC000826516295 587353925 /nfs/dbraw/zinc/35/39/25/587353925.db2.gz FKWBSGDGWLMARA-UHFFFAOYSA-N -1 1 243.274 0.788 20 0 BCADMM CC[C@H](O)CN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000826625257 587356269 /nfs/dbraw/zinc/35/62/69/587356269.db2.gz CIZMOOUOEJZTQI-BDAKNGLRSA-N -1 1 216.281 0.441 20 0 BCADMM CCN(CC(=O)OCc1n[nH]c(C)n1)C(=O)[O-] ZINC000827014852 587368104 /nfs/dbraw/zinc/36/81/04/587368104.db2.gz WMUSCSFNAWVKAL-UHFFFAOYSA-N -1 1 242.235 0.156 20 0 BCADMM CCN(CCOC)C1CN(C(=O)[O-])C1 ZINC000827156229 587371550 /nfs/dbraw/zinc/37/15/50/587371550.db2.gz CZSLJDOIEAXOEO-UHFFFAOYSA-N -1 1 202.254 0.317 20 0 BCADMM CCOC1CCN(C2CN(C(=O)[O-])C2)CC1 ZINC000827387364 587379169 /nfs/dbraw/zinc/37/91/69/587379169.db2.gz AGVAMFRZEHYHHU-UHFFFAOYSA-N -1 1 228.292 0.850 20 0 BCADMM Cc1ccc(F)c(CC(=O)[N-]OCC(N)=O)c1 ZINC000827771779 587401740 /nfs/dbraw/zinc/40/17/40/587401740.db2.gz BKNRDDDNCLKXQM-UHFFFAOYSA-N -1 1 240.234 0.210 20 0 BCADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000827871336 587406298 /nfs/dbraw/zinc/40/62/98/587406298.db2.gz OADXZRQYCPHAPY-SSDOTTSWSA-N -1 1 238.247 0.234 20 0 BCADMM CN(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828011205 587416407 /nfs/dbraw/zinc/41/64/07/587416407.db2.gz ZBYVYRYIPQPSOI-RKDXNWHRSA-N -1 1 243.307 0.101 20 0 BCADMM C[C@@H]1CCN(Cn2cnc(C(=O)[O-])n2)[C@H]1C ZINC000828295632 587432458 /nfs/dbraw/zinc/43/24/58/587432458.db2.gz LNKMQFGWWBIFSS-SFYZADRCSA-N -1 1 224.264 0.664 20 0 BCADMM Cn1cccc1C[N@@H+](C)CCNC(=O)[O-] ZINC000828329589 587435199 /nfs/dbraw/zinc/43/51/99/587435199.db2.gz IHGCXAYRHOJTCW-UHFFFAOYSA-N -1 1 211.265 0.725 20 0 BCADMM CN(CCNC(=O)[O-])Cc1cccn1C ZINC000828329589 587435201 /nfs/dbraw/zinc/43/52/01/587435201.db2.gz IHGCXAYRHOJTCW-UHFFFAOYSA-N -1 1 211.265 0.725 20 0 BCADMM CN1CCC[C@H]1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000828480392 587444931 /nfs/dbraw/zinc/44/49/31/587444931.db2.gz GOUIXBHZVFWNNJ-QMMMGPOBSA-N -1 1 243.307 0.243 20 0 BCADMM CNC(=O)CN(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000828540914 587449472 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587510259 /nfs/dbraw/zinc/51/02/59/587510259.db2.gz FTSHIIJSHHTFPP-UHFFFAOYSA-N -1 1 240.303 0.896 20 0 BCADMM Cc1c(CN2CC[C@H](NC(=O)[O-])C2)cnn1C ZINC000829858810 587525482 /nfs/dbraw/zinc/52/54/82/587525482.db2.gz FEFZNJPCRNJKCH-JTQLQIEISA-N -1 1 238.291 0.570 20 0 BCADMM Cc1ncc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])[nH]1 ZINC000830705104 587564334 /nfs/dbraw/zinc/56/43/34/587564334.db2.gz VWFNKMDVXNVAMA-LURJTMIESA-N -1 1 240.263 0.446 20 0 BCADMM C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000830935484 587577857 /nfs/dbraw/zinc/57/78/57/587577857.db2.gz ZNJQDGAYRQQGGY-RKDXNWHRSA-N -1 1 226.276 0.060 20 0 BCADMM CN1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000830935484 587577858 /nfs/dbraw/zinc/57/78/58/587577858.db2.gz ZNJQDGAYRQQGGY-RKDXNWHRSA-N -1 1 226.276 0.060 20 0 BCADMM C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000830935479 587578159 /nfs/dbraw/zinc/57/81/59/587578159.db2.gz ZNJQDGAYRQQGGY-BDAKNGLRSA-N -1 1 226.276 0.060 20 0 BCADMM 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C[C@@H](C(=O)N(C)C)N(C)CCCNC(=O)[O-] ZINC000823656163 587234588 /nfs/dbraw/zinc/23/45/88/587234588.db2.gz XLVZJRVTGIYNAQ-QMMMGPOBSA-N -1 1 231.296 0.053 20 0 BCADMM CC(C)(O)CCN1CCN(C(=O)[O-])CC1 ZINC000824034605 587249837 /nfs/dbraw/zinc/24/98/37/587249837.db2.gz FTOGBHRSSQAVQO-UHFFFAOYSA-N -1 1 216.281 0.443 20 0 BCADMM CC(C)[C@H](CCN(C)[C@@H](C)C(N)=O)NC(=O)[O-] ZINC000824098451 587255403 /nfs/dbraw/zinc/25/54/03/587255403.db2.gz IGALWFGDKSJXIE-IUCAKERBSA-N -1 1 245.323 0.474 20 0 BCADMM C[C@@H](CCNC(=O)[C@H](C)N(C)C)NC(=O)[O-] ZINC000824801607 587288089 /nfs/dbraw/zinc/28/80/89/587288089.db2.gz DHVVKYYLJJBNTJ-YUMQZZPRSA-N -1 1 231.296 0.099 20 0 BCADMM C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824945741 587294144 /nfs/dbraw/zinc/29/41/44/587294144.db2.gz FEHBCWNDWDRROF-SSDOTTSWSA-N -1 1 231.263 0.645 20 0 BCADMM C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824945741 587294145 /nfs/dbraw/zinc/29/41/45/587294145.db2.gz FEHBCWNDWDRROF-SSDOTTSWSA-N -1 1 231.263 0.645 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC000824961082 587295237 /nfs/dbraw/zinc/29/52/37/587295237.db2.gz BBSFGEQQQOZILY-HTQZYQBOSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC000824961082 587295239 /nfs/dbraw/zinc/29/52/39/587295239.db2.gz BBSFGEQQQOZILY-HTQZYQBOSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC000824992731 587297881 /nfs/dbraw/zinc/29/78/81/587297881.db2.gz NSKJDDJUFGYWQS-YUMQZZPRSA-N -1 1 245.290 0.749 20 0 BCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC000824992731 587297883 /nfs/dbraw/zinc/29/78/83/587297883.db2.gz NSKJDDJUFGYWQS-YUMQZZPRSA-N -1 1 245.290 0.749 20 0 BCADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC000824999171 587298019 /nfs/dbraw/zinc/29/80/19/587298019.db2.gz DEPUMMLBQSLAIF-CBAPKCEASA-N -1 1 246.274 0.079 20 0 BCADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC000824999171 587298021 /nfs/dbraw/zinc/29/80/21/587298021.db2.gz DEPUMMLBQSLAIF-CBAPKCEASA-N -1 1 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O=C(Cc1c[nH]c2ncccc12)Nc1nnn[n-]1 ZINC000362521797 182032698 /nfs/dbraw/zinc/03/26/98/182032698.db2.gz BLIJSWUYOWQOID-UHFFFAOYSA-N -1 1 243.230 0.257 20 0 BCADMM O=C(Cc1c[nH]c2ncccc12)Nc1nn[n-]n1 ZINC000362521797 182032701 /nfs/dbraw/zinc/03/27/01/182032701.db2.gz BLIJSWUYOWQOID-UHFFFAOYSA-N -1 1 243.230 0.257 20 0 BCADMM O=C(Cc1csc2nccn12)Nc1nnn[n-]1 ZINC000360993013 182060808 /nfs/dbraw/zinc/06/08/08/182060808.db2.gz SOIZDFQHUYKPGJ-UHFFFAOYSA-N -1 1 249.259 0.090 20 0 BCADMM O=C(Cc1csc2nccn12)Nc1nn[n-]n1 ZINC000360993013 182060810 /nfs/dbraw/zinc/06/08/10/182060810.db2.gz SOIZDFQHUYKPGJ-UHFFFAOYSA-N -1 1 249.259 0.090 20 0 BCADMM O=C(Nc1ccncc1[O-])c1cncnc1 ZINC000355117828 182085045 /nfs/dbraw/zinc/08/50/45/182085045.db2.gz AEXKBLHIZDROAU-UHFFFAOYSA-N -1 1 216.200 0.251 20 0 BCADMM O=C([O-])C1(NC(=O)c2ncn[nH]2)CCCCC1 ZINC000104328003 182089806 /nfs/dbraw/zinc/08/98/06/182089806.db2.gz VFBYSBXRNAFZIH-UHFFFAOYSA-N -1 1 238.247 0.322 20 0 BCADMM O=C([O-])C1(NC(=O)c2nc[nH]n2)CCCCC1 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C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824949117 587294532 /nfs/dbraw/zinc/29/45/32/587294532.db2.gz WYNDXMSIWFPAAE-MRVPVSSYSA-N -1 1 245.290 0.893 20 0 BCADMM CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825200385 587309935 /nfs/dbraw/zinc/30/99/35/587309935.db2.gz BBPVZOYIZYPIBR-MRVPVSSYSA-N -1 1 245.290 0.893 20 0 BCADMM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825200385 587309937 /nfs/dbraw/zinc/30/99/37/587309937.db2.gz BBPVZOYIZYPIBR-MRVPVSSYSA-N -1 1 245.290 0.893 20 0 BCADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000825255258 587311256 /nfs/dbraw/zinc/31/12/56/587311256.db2.gz PUPRTWMWLQVNJJ-CIUDSAMLSA-N -1 1 243.307 0.228 20 0 BCADMM C[C@H](C(N)=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255265 587311468 /nfs/dbraw/zinc/31/14/68/587311468.db2.gz PUPRTWMWLQVNJJ-YIZRAAEISA-N -1 1 243.307 0.228 20 0 BCADMM CC(C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825345093 587315746 /nfs/dbraw/zinc/31/57/46/587315746.db2.gz RMJYQPAOTZICPI-IUCAKERBSA-N -1 1 216.281 0.752 20 0 BCADMM C[C@H](NC(=O)[O-])[C@@H]1CN(CC2CC2)CCO1 ZINC000825351773 587316304 /nfs/dbraw/zinc/31/63/04/587316304.db2.gz PUTXAXABOZMRDK-WPRPVWTQSA-N -1 1 228.292 0.753 20 0 BCADMM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cnccn1 ZINC000825479534 587320187 /nfs/dbraw/zinc/32/01/87/587320187.db2.gz OPSJUWBQSWCXJE-RKDXNWHRSA-N -1 1 236.275 0.880 20 0 BCADMM C[C@H](NCCNC(=O)[O-])c1cnccn1 ZINC000825496404 587321730 /nfs/dbraw/zinc/32/17/30/587321730.db2.gz QPCWCGRJRKHKCC-ZETCQYMHSA-N -1 1 210.237 0.395 20 0 BCADMM CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1nn[n-]n1 ZINC000825531558 587323882 /nfs/dbraw/zinc/32/38/82/587323882.db2.gz LREDZUMFTRYYHC-AYMMMOKOSA-N -1 1 235.291 0.989 20 0 BCADMM O=C(CCc1nn[n-]n1)NCCCCC1CC1 ZINC000825661258 587329575 /nfs/dbraw/zinc/32/95/75/587329575.db2.gz DGEBAYJPQKWRIP-UHFFFAOYSA-N -1 1 237.307 0.829 20 0 BCADMM C/C(=C/CN(C)[C@@H]1CCCCNC1=O)C(=O)[O-] ZINC000825730487 587334232 /nfs/dbraw/zinc/33/42/32/587334232.db2.gz XQHDBMIPXMQEPP-ABRRARGCSA-N -1 1 240.303 0.618 20 0 BCADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN(C)C ZINC000825808320 587339689 /nfs/dbraw/zinc/33/96/89/587339689.db2.gz IHSRIRZSIJIYQB-BDAKNGLRSA-N -1 1 243.307 0.195 20 0 BCADMM CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000825806832 587339743 /nfs/dbraw/zinc/33/97/43/587339743.db2.gz GXGFENPNYKHTIP-UHFFFAOYSA-N -1 1 220.236 0.060 20 0 BCADMM CN(CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825902134 587344755 /nfs/dbraw/zinc/34/47/55/587344755.db2.gz OEUPNPSTFIBUBX-UHFFFAOYSA-N -1 1 231.263 0.503 20 0 BCADMM CN(CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825902134 587344757 /nfs/dbraw/zinc/34/47/57/587344757.db2.gz OEUPNPSTFIBUBX-UHFFFAOYSA-N -1 1 231.263 0.503 20 0 BCADMM C[C@@H]1CSCCN1CCNC(=O)[O-] ZINC000826094520 587350738 /nfs/dbraw/zinc/35/07/38/587350738.db2.gz ZINLMNVCYVTFOV-SSDOTTSWSA-N -1 1 204.295 0.691 20 0 BCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@H](O)C1 ZINC000826281006 587351446 /nfs/dbraw/zinc/35/14/46/587351446.db2.gz ZJINUWBRECGBNC-QMMMGPOBSA-N -1 1 246.274 0.141 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](O)C1 ZINC000826281006 587351447 /nfs/dbraw/zinc/35/14/47/587351447.db2.gz ZJINUWBRECGBNC-QMMMGPOBSA-N -1 1 246.274 0.141 20 0 BCADMM CON(C)c1cccc(-c2nnn[n-]2)n1 ZINC000826166306 587351585 /nfs/dbraw/zinc/35/15/85/587351585.db2.gz FBBCSHHNCHAKHT-UHFFFAOYSA-N -1 1 206.209 0.259 20 0 BCADMM CON(C)c1cccc(-c2nn[n-]n2)n1 ZINC000826166306 587351586 /nfs/dbraw/zinc/35/15/86/587351586.db2.gz FBBCSHHNCHAKHT-UHFFFAOYSA-N -1 1 206.209 0.259 20 0 BCADMM Cn1cc(CCn2ccnc2-c2nnn[n-]2)cn1 ZINC000826360604 587352426 /nfs/dbraw/zinc/35/24/26/587352426.db2.gz QSVLCWJHJWCQFX-UHFFFAOYSA-N -1 1 244.262 0.039 20 0 BCADMM Cn1cc(CCn2ccnc2-c2nn[n-]n2)cn1 ZINC000826360604 587352427 /nfs/dbraw/zinc/35/24/27/587352427.db2.gz QSVLCWJHJWCQFX-UHFFFAOYSA-N -1 1 244.262 0.039 20 0 BCADMM O=C1CCCCN1Cn1ccnc1-c1nnn[n-]1 ZINC000826479620 587353057 /nfs/dbraw/zinc/35/30/57/587353057.db2.gz DFULSPNDYMHWJD-UHFFFAOYSA-N -1 1 247.262 0.033 20 0 BCADMM O=C1CCCCN1Cn1ccnc1-c1nn[n-]n1 ZINC000826479620 587353058 /nfs/dbraw/zinc/35/30/58/587353058.db2.gz DFULSPNDYMHWJD-UHFFFAOYSA-N -1 1 247.262 0.033 20 0 BCADMM c1cn(C[C@@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC000826524983 587353428 /nfs/dbraw/zinc/35/34/28/587353428.db2.gz QTUTWWPKSHSLMG-QMMMGPOBSA-N -1 1 234.263 0.632 20 0 BCADMM c1cn(C[C@@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC000826524983 587353429 /nfs/dbraw/zinc/35/34/29/587353429.db2.gz QTUTWWPKSHSLMG-QMMMGPOBSA-N -1 1 234.263 0.632 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CCCO1 ZINC000826515252 587353460 /nfs/dbraw/zinc/35/34/60/587353460.db2.gz RZFYBLPPFPKWJT-SSDOTTSWSA-N -1 1 247.262 0.248 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CCCO1 ZINC000826515252 587353461 /nfs/dbraw/zinc/35/34/61/587353461.db2.gz RZFYBLPPFPKWJT-SSDOTTSWSA-N -1 1 247.262 0.248 20 0 BCADMM c1cn(CC2CCOCC2)c(-c2nnn[n-]2)n1 ZINC000826524876 587353695 /nfs/dbraw/zinc/35/36/95/587353695.db2.gz NONASPQEJHGDRE-UHFFFAOYSA-N -1 1 234.263 0.490 20 0 BCADMM c1cn(CC2CCOCC2)c(-c2nn[n-]n2)n1 ZINC000826524876 587353696 /nfs/dbraw/zinc/35/36/96/587353696.db2.gz NONASPQEJHGDRE-UHFFFAOYSA-N -1 1 234.263 0.490 20 0 BCADMM c1csc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826526514 587354130 /nfs/dbraw/zinc/35/41/30/587354130.db2.gz BSBABXXLJDUBQZ-UHFFFAOYSA-N -1 1 233.260 0.568 20 0 BCADMM c1csc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826526514 587354131 /nfs/dbraw/zinc/35/41/31/587354131.db2.gz BSBABXXLJDUBQZ-UHFFFAOYSA-N -1 1 233.260 0.568 20 0 BCADMM c1cn(Cc2cccnc2)c(-c2nnn[n-]2)n1 ZINC000826525653 587354193 /nfs/dbraw/zinc/35/41/93/587354193.db2.gz TTXPIKYCJFHTIC-UHFFFAOYSA-N -1 1 227.231 0.507 20 0 BCADMM c1cn(Cc2cccnc2)c(-c2nn[n-]n2)n1 ZINC000826525653 587354194 /nfs/dbraw/zinc/35/41/94/587354194.db2.gz TTXPIKYCJFHTIC-UHFFFAOYSA-N -1 1 227.231 0.507 20 0 BCADMM CCCC[C@H](CNC(=O)[O-])NC(=O)CN(C)C ZINC000826781280 587362106 /nfs/dbraw/zinc/36/21/06/587362106.db2.gz MRLYWLIPKRSJDJ-SECBINFHSA-N -1 1 245.323 0.491 20 0 BCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H]1CCCO1 ZINC000827016167 587368118 /nfs/dbraw/zinc/36/81/18/587368118.db2.gz LSOGMSJWPVWEIL-GHMZBOCLSA-N -1 1 245.319 0.975 20 0 BCADMM CCNC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827243528 587373784 /nfs/dbraw/zinc/37/37/84/587373784.db2.gz ZGLDKGCDAQGAQM-SECBINFHSA-N -1 1 243.307 0.197 20 0 BCADMM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000827273962 587374938 /nfs/dbraw/zinc/37/49/38/587374938.db2.gz VBWMHNKZZSGDNQ-RITPCOANSA-N -1 1 226.236 0.093 20 0 BCADMM CCc1cc(CNC(=O)c2cc(=O)n(C)[n-]2)n[nH]1 ZINC000827424274 587380874 /nfs/dbraw/zinc/38/08/74/587380874.db2.gz AKLWKWOXBXOXJP-UHFFFAOYSA-N -1 1 249.274 0.341 20 0 BCADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000827871337 587406243 /nfs/dbraw/zinc/40/62/43/587406243.db2.gz OADXZRQYCPHAPY-ZETCQYMHSA-N -1 1 238.247 0.234 20 0 BCADMM CN(C(=O)[O-])[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC000827890892 587408208 /nfs/dbraw/zinc/40/82/08/587408208.db2.gz WOVLABIJDPVSKA-JTQLQIEISA-N -1 1 238.291 0.604 20 0 BCADMM CN(C(=O)c1ccn[nH]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827933531 587411296 /nfs/dbraw/zinc/41/12/96/587411296.db2.gz YXQSQISEQVVGSU-ZETCQYMHSA-N -1 1 238.247 0.234 20 0 BCADMM CN(C[C@@H]1CCCCO1)C1CN(C(=O)[O-])C1 ZINC000828176816 587422923 /nfs/dbraw/zinc/42/29/23/587422923.db2.gz SFQGWISWQCSXRG-JTQLQIEISA-N -1 1 228.292 0.850 20 0 BCADMM C[N@@H+](CCNC(=O)[O-])[C@H](CO)c1ccccc1 ZINC000828329757 587435550 /nfs/dbraw/zinc/43/55/50/587435550.db2.gz LGQSCEHHPSEAEP-LLVKDONJSA-N -1 1 238.287 0.919 20 0 BCADMM CN(CCNC(=O)[O-])[C@H](CO)c1ccccc1 ZINC000828329757 587435552 /nfs/dbraw/zinc/43/55/52/587435552.db2.gz LGQSCEHHPSEAEP-LLVKDONJSA-N -1 1 238.287 0.919 20 0 BCADMM C/C=C\C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828543433 587449630 /nfs/dbraw/zinc/44/96/30/587449630.db2.gz UBZUFJJOHLSNJM-XOULXFPDSA-N -1 1 240.303 0.570 20 0 BCADMM CNC(=O)CN1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000828543282 587449903 /nfs/dbraw/zinc/44/99/03/587449903.db2.gz RYQCXWIFQLRVTL-DTWKUNHWSA-N -1 1 243.307 0.101 20 0 BCADMM COC[C@H](O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000828920597 587472008 /nfs/dbraw/zinc/47/20/08/587472008.db2.gz PIBNUFUSXCOEKE-SECBINFHSA-N -1 1 246.307 0.068 20 0 BCADMM CC[C@H](O)CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000829004651 587479074 /nfs/dbraw/zinc/47/90/74/587479074.db2.gz NZJIMNWKRDDZKX-VHSXEESVSA-N -1 1 233.308 0.567 20 0 BCADMM CCCCOC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829402068 587496124 /nfs/dbraw/zinc/49/61/24/587496124.db2.gz PACKVYJJZFMXHD-VHSXEESVSA-N -1 1 243.303 0.982 20 0 BCADMM CCCOC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000829519964 587501914 /nfs/dbraw/zinc/50/19/14/587501914.db2.gz XSBLLQMKQQWSKY-KXUCPTDWSA-N -1 1 243.303 0.981 20 0 BCADMM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)[O-])N(C)C ZINC000829783106 587515779 /nfs/dbraw/zinc/51/57/79/587515779.db2.gz GZGYKHHRJOXLLU-IUCAKERBSA-N -1 1 243.307 0.195 20 0 BCADMM C[C@@H](C(=O)N1CC[C@H](CNC(=O)[O-])C1)N(C)C ZINC000829783586 587515804 /nfs/dbraw/zinc/51/58/04/587515804.db2.gz MEHPFWPTGZBKTL-DTWKUNHWSA-N -1 1 243.307 0.053 20 0 BCADMM CCOC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829852472 587524392 /nfs/dbraw/zinc/52/43/92/587524392.db2.gz FAYXYDGNJFBGME-SFYZADRCSA-N -1 1 215.249 0.202 20 0 BCADMM Cc1c(CN(C)[C@@H](C)CNC(=O)[O-])cnn1C ZINC000829859602 587525486 /nfs/dbraw/zinc/52/54/86/587525486.db2.gz OUHDBFGUGCYDFJ-QMMMGPOBSA-N -1 1 240.307 0.816 20 0 BCADMM Cc1c(CN2CC[C@@H](NC(=O)[O-])C2)cnn1C ZINC000829858811 587525633 /nfs/dbraw/zinc/52/56/33/587525633.db2.gz FEFZNJPCRNJKCH-SNVBAGLBSA-N -1 1 238.291 0.570 20 0 BCADMM CCOCCN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000830006658 587531794 /nfs/dbraw/zinc/53/17/94/587531794.db2.gz BSDWONQJTTXCCT-SNVBAGLBSA-N -1 1 233.308 0.833 20 0 BCADMM CCOCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000830007752 587531889 /nfs/dbraw/zinc/53/18/89/587531889.db2.gz SDTCFSQAMLNQMS-VIFPVBQESA-N -1 1 205.229 0.522 20 0 BCADMM Cc1cc(CC(=O)OCCN(C)C(=O)[O-])n[nH]1 ZINC000830031741 587532519 /nfs/dbraw/zinc/53/25/19/587532519.db2.gz YFHWJHSDPAIPPY-UHFFFAOYSA-N -1 1 241.247 0.414 20 0 BCADMM CCc1oc(C(=O)[O-])cc1CN(C)CCO ZINC000830355700 587547546 /nfs/dbraw/zinc/54/75/46/587547546.db2.gz UZXZMUSNDWHJRP-UHFFFAOYSA-N -1 1 227.260 0.964 20 0 BCADMM CN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)C1CC1 ZINC000830486119 587554069 /nfs/dbraw/zinc/55/40/69/587554069.db2.gz WGTGDSWYMWSCTL-GFCCVEGCSA-N -1 1 240.303 0.450 20 0 BCADMM CC(C)CO[N-]C(=O)C1(N(C)C)CC1 ZINC000830892972 587575539 /nfs/dbraw/zinc/57/55/39/587575539.db2.gz CVEQKJAZVBCSHB-UHFFFAOYSA-N -1 1 200.282 0.784 20 0 BCADMM Cn1cncc1CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000831046140 587583959 /nfs/dbraw/zinc/58/39/59/587583959.db2.gz MGKQWLVRTDXLAR-VIFPVBQESA-N -1 1 238.291 0.510 20 0 BCADMM COC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831159923 587588389 /nfs/dbraw/zinc/58/83/89/587588389.db2.gz IXDIMLWKYGOODG-VIFPVBQESA-N -1 1 219.212 0.048 20 0 BCADMM O=S(=O)([N-]CCF)c1c[nH]nc1Cl ZINC000831364584 587601285 /nfs/dbraw/zinc/60/12/85/587601285.db2.gz QFFHEMPVHIIAAD-UHFFFAOYSA-N -1 1 227.648 0.311 20 0 BCADMM COC[C@](C)(CC(=O)[O-])NCc1nccn1C 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587697686 /nfs/dbraw/zinc/69/76/86/587697686.db2.gz ZXAUOKYDOARWAA-JTQLQIEISA-N -1 1 225.248 0.721 20 0 BCADMM O=C([O-])[C@@]1(F)CCN(C[C@H]2CCCO2)C1 ZINC000833174974 587700580 /nfs/dbraw/zinc/70/05/80/587700580.db2.gz KSKDZUXKQYYJPX-PSASIEDQSA-N -1 1 217.240 0.664 20 0 BCADMM O=C([O-])[C@@]1(F)CCN(CC[C@@H]2CCOC2=O)C1 ZINC000833358825 587706163 /nfs/dbraw/zinc/70/61/63/587706163.db2.gz YMRQRCUCFCVYQQ-LDYMZIIASA-N -1 1 245.250 0.438 20 0 BCADMM O=C([O-])[C@]1(F)CCN(C(=O)c2ccn[nH]2)C1 ZINC000833354420 587707393 /nfs/dbraw/zinc/70/73/93/587707393.db2.gz UCLBUXCQHNBZAN-VIFPVBQESA-N -1 1 227.195 0.049 20 0 BCADMM CC(C)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833462558 587716059 /nfs/dbraw/zinc/71/60/59/587716059.db2.gz DAVXGLYXHIEQMJ-JTQLQIEISA-N -1 1 242.319 0.650 20 0 BCADMM CC(C)CN(C)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833485169 587717375 /nfs/dbraw/zinc/71/73/75/587717375.db2.gz CSUSZHQILDCKAD-SECBINFHSA-N -1 1 228.292 0.465 20 0 BCADMM C[C@]1(C(=O)[O-])CCN(Cc2nccc(N)n2)C1 ZINC000833555574 587720301 /nfs/dbraw/zinc/72/03/01/587720301.db2.gz XUXPJVQFELRAIE-NSHDSACASA-N -1 1 236.275 0.355 20 0 BCADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(C)CC2)O1 ZINC000833581782 587721458 /nfs/dbraw/zinc/72/14/58/587721458.db2.gz ZSUKPCZYIFIUSE-SNVBAGLBSA-N -1 1 240.303 0.381 20 0 BCADMM CC1=CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000833583431 587721467 /nfs/dbraw/zinc/72/14/67/587721467.db2.gz HUTQNETZSVRKAM-SECBINFHSA-N -1 1 226.276 0.228 20 0 BCADMM C[C@@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000833614683 587724399 /nfs/dbraw/zinc/72/43/99/587724399.db2.gz RUZROELUPSIVJU-NXEZZACHSA-N -1 1 240.303 0.609 20 0 BCADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCC(=O)[O-] ZINC000833624980 587724867 /nfs/dbraw/zinc/72/48/67/587724867.db2.gz MNBXPVMCSWMTAA-DTORHVGOSA-N -1 1 228.292 0.402 20 0 BCADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@H](C)CN1C ZINC000833618042 587725110 /nfs/dbraw/zinc/72/51/10/587725110.db2.gz KCQKLQZQXHAHCO-KYXWUPHJSA-N -1 1 240.303 0.258 20 0 BCADMM O=C([O-])[C@H](O)C1CCN(Cc2ccco2)CC1 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ZINC000833955176 587740199 /nfs/dbraw/zinc/74/01/99/587740199.db2.gz PNFFMVONYDKCMJ-SECBINFHSA-N -1 1 238.291 0.728 20 0 BCADMM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000834174738 587748075 /nfs/dbraw/zinc/74/80/75/587748075.db2.gz KUWSCMWZMAHPJV-DTWKUNHWSA-N -1 1 224.264 0.688 20 0 BCADMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000834218138 587748526 /nfs/dbraw/zinc/74/85/26/587748526.db2.gz ZYUVHAWLIFXINC-SECBINFHSA-N -1 1 238.291 0.889 20 0 BCADMM O=C([O-])NC[C@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000834218138 587748527 /nfs/dbraw/zinc/74/85/27/587748527.db2.gz ZYUVHAWLIFXINC-SECBINFHSA-N -1 1 238.291 0.889 20 0 BCADMM O=C([O-])N[C@H]1CCN(CCC(=O)C2CC2)C1 ZINC000834190891 587748702 /nfs/dbraw/zinc/74/87/02/587748702.db2.gz VZLGPSJKFOHMET-VIFPVBQESA-N -1 1 226.276 0.698 20 0 BCADMM CSCCONC(=O)c1cc(=O)n(C)[n-]1 ZINC000834822981 587767747 /nfs/dbraw/zinc/76/77/47/587767747.db2.gz INQONLQBSGVCOX-UHFFFAOYSA-N -1 1 231.277 0.150 20 0 BCADMM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](F)C(F)(F)F ZINC000836898172 587842118 /nfs/dbraw/zinc/84/21/18/587842118.db2.gz IIHDZLVUNDTTEC-RITPCOANSA-N -1 1 247.188 0.952 20 0 BCADMM O=C(Cc1nnc[nH]1)[N-]OC1CCCC1 ZINC000867223077 587860072 /nfs/dbraw/zinc/86/00/72/587860072.db2.gz RZGLCTLCBZVBBQ-UHFFFAOYSA-N -1 1 210.237 0.338 20 0 BCADMM CCCNC(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842060345 587994053 /nfs/dbraw/zinc/99/40/53/587994053.db2.gz HSQFYIQLWOZDPX-UHFFFAOYSA-N -1 1 230.308 0.997 20 0 BCADMM CC(C)NC(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842061212 587994247 /nfs/dbraw/zinc/99/42/47/587994247.db2.gz WINBPXMIVPSISR-UHFFFAOYSA-N -1 1 230.308 0.995 20 0 BCADMM COC(=O)[C@@H]([N-]C(=O)C(F)F)c1ccnn1C ZINC000844051818 588158047 /nfs/dbraw/zinc/15/80/47/588158047.db2.gz DSUAOMCFZORYHQ-LURJTMIESA-N -1 1 247.201 0.016 20 0 BCADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845220267 588223999 /nfs/dbraw/zinc/22/39/99/588223999.db2.gz UPJXWOOKBUNYGD-JGVFFNPUSA-N -1 1 237.259 0.006 20 0 BCADMM CC1(C)CN(CC(=O)[N-]OCc2cccnc2)C1 ZINC000847599567 588318281 /nfs/dbraw/zinc/31/82/81/588318281.db2.gz IOFUFWQDONRISJ-UHFFFAOYSA-N -1 1 249.314 0.971 20 0 BCADMM C[C@H]1CC[N@H+](CC(=O)NC2=NC[C@H](C)S2)C1 ZINC000848234711 588366359 /nfs/dbraw/zinc/36/63/59/588366359.db2.gz YQXWZPGUDAKVBA-IUCAKERBSA-N -1 1 241.360 0.936 20 0 BCADMM CC1(C)C[C@@H](OC(=O)c2cn[n-]n2)CO1 ZINC000849776548 588497318 /nfs/dbraw/zinc/49/73/18/588497318.db2.gz MCKJGXGJGLGGTK-ZCFIWIBFSA-N -1 1 211.221 0.529 20 0 BCADMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000864611633 589383366 /nfs/dbraw/zinc/38/33/66/589383366.db2.gz IODIUEWROKZFBY-ARHDFHRDSA-N -1 1 240.303 0.306 20 0 BCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000864897372 589400272 /nfs/dbraw/zinc/40/02/72/589400272.db2.gz RJTHHHYRCYJPON-RNFRBKRXSA-N -1 1 239.275 0.252 20 0 BCADMM CC1(C)C(NC(=O)CCc2nn[n-]n2)C1(C)C ZINC000866342262 589486997 /nfs/dbraw/zinc/48/69/97/589486997.db2.gz VNPUIDXBBSWBIP-UHFFFAOYSA-N -1 1 237.307 0.683 20 0 BCADMM CON(CC(C)(C)C)C(=O)CCc1nn[n-]n1 ZINC000868285799 589553735 /nfs/dbraw/zinc/55/37/35/589553735.db2.gz OAKKXBVIFNGJRV-UHFFFAOYSA-N -1 1 241.295 0.568 20 0 BCADMM CC(C)[C@H](CO)O[N-]C(=O)C1CSC1 ZINC000868725938 589575056 /nfs/dbraw/zinc/57/50/56/589575056.db2.gz DMVZLQPAWODJNC-QMMMGPOBSA-N -1 1 219.306 0.414 20 0 BCADMM CCON(C(=O)CCc1nn[n-]n1)C(C)C ZINC000869084793 589586111 /nfs/dbraw/zinc/58/61/11/589586111.db2.gz JEUFSFBPGNIODG-UHFFFAOYSA-N -1 1 227.268 0.321 20 0 BCADMM C[C@H]1OCC[C@@H]1COC(=O)c1cn[n-]n1 ZINC000869517110 589611214 /nfs/dbraw/zinc/61/12/14/589611214.db2.gz DTLHIMDYLVSMOY-RNFRBKRXSA-N -1 1 211.221 0.387 20 0 BCADMM COC(C)(C)CCNC(=O)CCc1nn[n-]n1 ZINC000871260547 589752305 /nfs/dbraw/zinc/75/23/05/589752305.db2.gz PPULIVWFLWIFGF-UHFFFAOYSA-N -1 1 241.295 0.064 20 0 BCADMM O=C(CCc1nn[n-]n1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871523111 589765032 /nfs/dbraw/zinc/76/50/32/589765032.db2.gz MOEUHRPFJGJFRL-AOOOYVTPSA-N -1 1 247.302 0.557 20 0 BCADMM CCc1[n-]n(-c2cccnn2)c(=O)c1F ZINC000871953849 589842352 /nfs/dbraw/zinc/84/23/52/589842352.db2.gz FPYFYNVPRZFPGM-QMMMGPOBSA-N -1 1 208.196 0.927 20 0 BCADMM CCc1[n-]n([C@H](C)COC)c(=O)c1F ZINC000871954907 589842446 /nfs/dbraw/zinc/84/24/46/589842446.db2.gz PRTPJYASICQBEU-SVRRBLITSA-N -1 1 202.229 0.968 20 0 BCADMM O=c1c(F)c(C(F)(F)F)[n-]n1-c1nc[nH]n1 ZINC000871955064 589842879 /nfs/dbraw/zinc/84/28/79/589842879.db2.gz VRDMIKJMCZSOGG-REOHCLBHSA-N -1 1 237.116 0.408 20 0 BCADMM CCc1[n-]n(CCCOC)c(=O)c1F ZINC000871958591 589844397 /nfs/dbraw/zinc/84/43/97/589844397.db2.gz DMQVGCRNBGYHAE-QMMMGPOBSA-N -1 1 202.229 0.969 20 0 BCADMM CC1=NN(CCC[NH+]2CCOCC2)C(=O)[C@@H]1F ZINC000871960159 589845543 /nfs/dbraw/zinc/84/55/43/589845543.db2.gz VHZMMPQQUPCTDF-SNVBAGLBSA-N -1 1 243.282 0.265 20 0 BCADMM Cn1ccc(CN2CC[C@@H](C(=O)[O-])C2)n1 ZINC000123964445 589886876 /nfs/dbraw/zinc/88/68/76/589886876.db2.gz DVCWOEUHNAMVRE-MRVPVSSYSA-N -1 1 209.249 0.327 20 0 BCADMM CS(=O)(=O)CCN1C2CCC1(C(=O)[O-])CC2 ZINC000872162889 589887041 /nfs/dbraw/zinc/88/70/41/589887041.db2.gz OOIQFNAAWHBJAJ-UHFFFAOYSA-N -1 1 247.316 0.113 20 0 BCADMM O=c1nc(N[C@@H]2CC23CCC3)nc2[nH][n-]cc1-2 ZINC000872774927 589967581 /nfs/dbraw/zinc/96/75/81/589967581.db2.gz LTQRECQQIOTJFQ-SSDOTTSWSA-N -1 1 231.259 0.787 20 0 BCADMM C[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000873642168 590065865 /nfs/dbraw/zinc/06/58/65/590065865.db2.gz OSELBOOAOCZPGV-GZMMTYOYSA-N -1 1 227.260 0.646 20 0 BCADMM CO[N-]C(=O)[C@H](N)c1cccc(OC)c1 ZINC000876706165 590232225 /nfs/dbraw/zinc/23/22/25/590232225.db2.gz IWYSHCRJMASINU-SECBINFHSA-N -1 1 210.233 0.373 20 0 BCADMM CCO[N-]C(=O)CNCc1snnc1C ZINC000877613429 590373395 /nfs/dbraw/zinc/37/33/95/590373395.db2.gz ILFHNYCIABMONP-UHFFFAOYSA-N -1 1 230.293 0.004 20 0 BCADMM C/C(=C/CN1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000211344737 591161189 /nfs/dbraw/zinc/16/11/89/591161189.db2.gz HFUVETGHCZIJOK-ZUYFITGHSA-N -1 1 238.287 0.324 20 0 BCADMM CN1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000213094567 591448312 /nfs/dbraw/zinc/44/83/12/591448312.db2.gz CHHZCWSQWCHBKA-UHFFFAOYSA-N -1 1 223.276 0.460 20 0 BCADMM C[C@@H](CO)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000095154932 598971677 /nfs/dbraw/zinc/97/16/77/598971677.db2.gz DSMFZCSIQNCEIN-BQBZGAKWSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@@H](CO)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000095154932 598971679 /nfs/dbraw/zinc/97/16/79/598971679.db2.gz DSMFZCSIQNCEIN-BQBZGAKWSA-N -1 1 249.278 0.086 20 0 BCADMM Cn1nccc1CCNC(=O)c1ncccc1[O-] ZINC000132314610 591700700 /nfs/dbraw/zinc/70/07/00/591700700.db2.gz VYJPTSPHEZTCJT-UHFFFAOYSA-N -1 1 246.270 0.493 20 0 BCADMM O=C(NCC[N-]C(=O)C(F)(F)F)C1CC1 ZINC000135055669 591980326 /nfs/dbraw/zinc/98/03/26/591980326.db2.gz UCKIEHVBVNCARD-UHFFFAOYSA-N -1 1 224.182 0.191 20 0 BCADMM COCCO[N-]C(=O)Cc1cn2ccccc2n1 ZINC000135134634 591991627 /nfs/dbraw/zinc/99/16/27/591991627.db2.gz KRVXWTMEJFRGRC-UHFFFAOYSA-N -1 1 249.270 0.571 20 0 BCADMM CN1C[C@@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000135216696 591997272 /nfs/dbraw/zinc/99/72/72/591997272.db2.gz SYDXZQYINBZMNG-YFKPBYRVSA-N -1 1 240.181 0.075 20 0 BCADMM CCN1C[C@@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000135353395 592008513 /nfs/dbraw/zinc/00/85/13/592008513.db2.gz SWRLWBJABJMATJ-VIFPVBQESA-N -1 1 240.303 0.845 20 0 BCADMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]C(CF)CF ZINC000885417327 592077503 /nfs/dbraw/zinc/07/75/03/592077503.db2.gz YUDOZNBLSDEXPZ-HTRCEHHLSA-N -1 1 243.275 0.391 20 0 BCADMM O=S(=O)(C[C@H]1CCCO1)[N-]C(CF)CF ZINC000885418028 592077274 /nfs/dbraw/zinc/07/72/74/592077274.db2.gz IFJMKNUJOPZKKM-MRVPVSSYSA-N -1 1 243.275 0.392 20 0 BCADMM COc1cc(CC(=O)Nc2nnn[n-]2)ccc1C ZINC000073120866 592294401 /nfs/dbraw/zinc/29/44/01/592294401.db2.gz CCPJYJDCGXUBJB-UHFFFAOYSA-N -1 1 247.258 0.698 20 0 BCADMM COc1cc(CC(=O)Nc2nn[n-]n2)ccc1C ZINC000073120866 592294402 /nfs/dbraw/zinc/29/44/02/592294402.db2.gz CCPJYJDCGXUBJB-UHFFFAOYSA-N -1 1 247.258 0.698 20 0 BCADMM O=c1[n-]c(CN2CC[C@H]([C@@H]3CCCO3)C2)n[nH]1 ZINC000886822246 592344986 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O=C(NCc1nn[n-]n1)c1cccc2c1OCC2 ZINC000932532495 640574018 /nfs/dbraw/zinc/57/40/18/640574018.db2.gz FDZXUIHDUMEYRY-UHFFFAOYSA-N -1 1 245.242 0.065 20 0 BCADMM C[C@@H](C(=O)[O-])C(=O)N1CCN(C)C(C)(C)C1 ZINC000165546750 640585015 /nfs/dbraw/zinc/58/50/15/640585015.db2.gz TZHABHFDIMGTMU-MRVPVSSYSA-N -1 1 228.292 0.260 20 0 BCADMM O=C([O-])[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000167169085 640703276 /nfs/dbraw/zinc/70/32/76/640703276.db2.gz ALDLSHGKKOIDCJ-JTQLQIEISA-N -1 1 240.303 0.548 20 0 BCADMM CC(C)(C)C(=O)NCC[N-]C(=O)C(F)(F)F ZINC000169832111 640880014 /nfs/dbraw/zinc/88/00/14/640880014.db2.gz QVEYFBGIQALOPI-UHFFFAOYSA-N -1 1 240.225 0.827 20 0 BCADMM COCCO[N-]C(=O)Cc1cccs1 ZINC000062577879 641061649 /nfs/dbraw/zinc/06/16/49/641061649.db2.gz YIHIEGWCRRVZGJ-UHFFFAOYSA-N -1 1 215.274 0.985 20 0 BCADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccn[nH]2)C1 ZINC000062868813 641102733 /nfs/dbraw/zinc/10/27/33/641102733.db2.gz DADIFMXQKQYXMF-LLVKDONJSA-N -1 1 237.259 0.737 20 0 BCADMM CC(C)(C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000095204400 641598761 /nfs/dbraw/zinc/59/87/61/641598761.db2.gz BVGUQQSTANQGMJ-UHFFFAOYSA-N -1 1 237.307 0.952 20 0 BCADMM CCCn1cc([N-]S(=O)(=O)CCOC)cn1 ZINC000174746669 641674314 /nfs/dbraw/zinc/67/43/14/641674314.db2.gz OTNPWESSKPKPAZ-UHFFFAOYSA-N -1 1 247.320 0.681 20 0 BCADMM CC[C@H](C)CC(=O)NN1CC(=O)[N-]C1=O ZINC000188814651 641770693 /nfs/dbraw/zinc/77/06/93/641770693.db2.gz BALRRZYHLSTWMN-LURJTMIESA-N -1 1 213.237 0.006 20 0 BCADMM CC[C@@H](C)CC(=O)NN1CC(=O)[N-]C1=O ZINC000188814632 641770842 /nfs/dbraw/zinc/77/08/42/641770842.db2.gz BALRRZYHLSTWMN-ZCFIWIBFSA-N -1 1 213.237 0.006 20 0 BCADMM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCCOC1 ZINC000189229266 641795701 /nfs/dbraw/zinc/79/57/01/641795701.db2.gz BSQQLZAMAYBYJB-ZJUUUORDSA-N -1 1 229.276 0.497 20 0 BCADMM CCN(C(=O)c1ncccc1[O-])C1CN(CC)C1 ZINC000949952190 641875934 /nfs/dbraw/zinc/87/59/34/641875934.db2.gz KVQOVVGPKXEKQK-UHFFFAOYSA-N -1 1 249.314 0.953 20 0 BCADMM C[C@H](NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000035388940 641947800 /nfs/dbraw/zinc/94/78/00/641947800.db2.gz JSSFIXHCETYJFQ-VIFPVBQESA-N -1 1 236.271 0.366 20 0 BCADMM Cn1[n-]c(Cn2ccnc2C(F)(F)F)nc1=O ZINC000919909171 642406616 /nfs/dbraw/zinc/40/66/16/642406616.db2.gz NPIRTRLSWNDSQO-UHFFFAOYSA-N -1 1 247.180 0.372 20 0 BCADMM CO[N-]C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000070013132 642416621 /nfs/dbraw/zinc/41/66/21/642416621.db2.gz ONRYKOXVNZPZNR-ZCFIWIBFSA-N -1 1 211.265 0.818 20 0 BCADMM O=C(CO)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000180944669 642829227 /nfs/dbraw/zinc/82/92/27/642829227.db2.gz XGLOXJMZCJAJFN-UHFFFAOYSA-N -1 1 246.625 0.232 20 0 BCADMM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)n[nH]1 ZINC000070378750 643022565 /nfs/dbraw/zinc/02/25/65/643022565.db2.gz TZKYIEDNTKNJMQ-UHFFFAOYSA-N -1 1 239.275 0.901 20 0 BCADMM CCOCCO[N-]C(=O)[C@@H]1CCCOC1 ZINC000184797681 643238046 /nfs/dbraw/zinc/23/80/46/643238046.db2.gz FAEFYOODPKAVJX-SECBINFHSA-N -1 1 217.265 0.497 20 0 BCADMM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccn[nH]1 ZINC000082243186 643292537 /nfs/dbraw/zinc/29/25/37/643292537.db2.gz YWKGVIFJUSGSDW-VIFPVBQESA-N -1 1 239.275 0.981 20 0 BCADMM Cc1ccc(CCC(=O)[N-]OCC(N)=O)o1 ZINC000089465548 643321675 /nfs/dbraw/zinc/32/16/75/643321675.db2.gz GWAYUHCKWREFRZ-UHFFFAOYSA-N -1 1 226.232 0.054 20 0 BCADMM O=C(/C=C\C1CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000095124628 643340951 /nfs/dbraw/zinc/34/09/51/643340951.db2.gz IRMUJBINMHSPSI-ZBJFTSOASA-N -1 1 249.274 0.066 20 0 BCADMM O=C(c1cncc([O-])c1)N1CC=C[C@@H]1CO ZINC000922276754 643942839 /nfs/dbraw/zinc/94/28/39/643942839.db2.gz GPRFAWFDCGOWLJ-SECBINFHSA-N -1 1 220.228 0.160 20 0 BCADMM CO[N-]C(=O)CNCc1nc(C)cs1 ZINC000922830938 644116820 /nfs/dbraw/zinc/11/68/20/644116820.db2.gz VMNSWGJIEWGODJ-UHFFFAOYSA-N -1 1 215.278 0.219 20 0 BCADMM CC(C)CC[C@H](O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000923225045 644294553 /nfs/dbraw/zinc/29/45/53/644294553.db2.gz NBTZAOWYSUQHBN-QWRGUYRKSA-N -1 1 245.319 0.569 20 0 BCADMM Cn1cnc(/C=C\c2cc(=O)n3[n-]cnc3n2)c1 ZINC000672775383 644517183 /nfs/dbraw/zinc/51/71/83/644517183.db2.gz JNTYKDANMRWEPG-IHWYPQMZSA-N -1 1 242.242 0.322 20 0 BCADMM CC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954124143 644534087 /nfs/dbraw/zinc/53/40/87/644534087.db2.gz NCWUBYWJACFRAQ-UHFFFAOYSA-N -1 1 249.270 0.090 20 0 BCADMM CC[C@H](CC(=O)[N-]OCC(N)=O)C(C)C ZINC000089465661 644552968 /nfs/dbraw/zinc/55/29/68/644552968.db2.gz PKVYOKGUEWPRSC-MRVPVSSYSA-N -1 1 216.281 0.592 20 0 BCADMM COC1CCC(CC(=O)[N-]OCC(N)=O)CC1 ZINC000089464639 644553109 /nfs/dbraw/zinc/55/31/09/644553109.db2.gz FCOVWZYSAMVPEB-UHFFFAOYSA-N -1 1 244.291 0.115 20 0 BCADMM Cc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)nc1 ZINC000765500053 644663689 /nfs/dbraw/zinc/66/36/89/644663689.db2.gz AURQUGVVFFYUCG-UHFFFAOYSA-N -1 1 248.242 0.169 20 0 BCADMM CC(=O)N1CC[C@@](C)(C(=O)[N-]OCC2CC2)C1 ZINC000817339377 644971683 /nfs/dbraw/zinc/97/16/83/644971683.db2.gz GOHFTCQTEPBBHP-GFCCVEGCSA-N -1 1 240.303 0.703 20 0 BCADMM O=C(CCCc1nn[n-]n1)N[C@H]1C=CCC1 ZINC000824438634 645054483 /nfs/dbraw/zinc/05/44/83/645054483.db2.gz WIBFODBWPLEFER-QMMMGPOBSA-N -1 1 221.264 0.357 20 0 BCADMM CCO[N-]C(=O)CNCc1cc(F)ncc1F ZINC000846092426 645402001 /nfs/dbraw/zinc/40/20/01/645402001.db2.gz ZFECKIIAGCMXDU-UHFFFAOYSA-N -1 1 245.229 0.517 20 0 BCADMM CCCC[C@H](NC(=O)[C@H]1CCCN1C)C(=O)[O-] ZINC000909508176 711780048 /nfs/dbraw/zinc/78/00/48/711780048.db2.gz ZMBBTUVKXCEIIG-VHSXEESVSA-N -1 1 242.319 0.840 20 0 BCADMM CCCN(C(=O)c1cnc[nH]1)[C@H](C)C(=O)[O-] ZINC000911716931 711819608 /nfs/dbraw/zinc/81/96/08/711819608.db2.gz MAPUKYVINLYRAW-SSDOTTSWSA-N -1 1 225.248 0.735 20 0 BCADMM CCOC(=O)C=C([O-])N=S(C)(C)=O ZINC000913645598 711848033 /nfs/dbraw/zinc/84/80/33/711848033.db2.gz KJBXWOTWTKGXAR-UHFFFAOYSA-N -1 1 207.251 0.194 20 0 BCADMM C[C@@H](CF)[N-]S(=O)(=O)c1cccnc1F ZINC000702581474 712055788 /nfs/dbraw/zinc/05/57/88/712055788.db2.gz DDUDOXHGNPCBKP-LURJTMIESA-N -1 1 236.243 0.857 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@@]12C[C@@H]1CCCC2 ZINC000709982159 712237198 /nfs/dbraw/zinc/23/71/98/712237198.db2.gz LUTQTCNMQOJESC-RCOVLWMOSA-N -1 1 207.237 0.719 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@@]12C[C@@H]1CCCC2 ZINC000709982159 712237199 /nfs/dbraw/zinc/23/71/99/712237199.db2.gz LUTQTCNMQOJESC-RCOVLWMOSA-N -1 1 207.237 0.719 20 0 BCADMM CC(C)O[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000379006537 712368081 /nfs/dbraw/zinc/36/80/81/712368081.db2.gz GTGYSYRSDZIDOL-QMMMGPOBSA-N -1 1 226.276 0.454 20 0 BCADMM CC[C@@H](CO)C(=O)[N-]OC/C=C\Cl ZINC000379401752 712382545 /nfs/dbraw/zinc/38/25/45/712382545.db2.gz LLZSROKZEFWGPM-AVALRIAPSA-N -1 1 207.657 0.805 20 0 BCADMM O=C([N-]Cc1c[nH]c(=O)[nH]1)C(F)(F)C(F)F ZINC000379585748 712389378 /nfs/dbraw/zinc/38/93/78/712389378.db2.gz ZIBPQILMDLXDSR-UHFFFAOYSA-N -1 1 241.144 0.632 20 0 BCADMM CC1(C)CO[C@H](CC(=O)NCc2nn[n-]n2)C1 ZINC000717029913 712613639 /nfs/dbraw/zinc/61/36/39/712613639.db2.gz RDNVEHHJMSMNCC-SSDOTTSWSA-N -1 1 239.279 0.021 20 0 BCADMM CCC[C@@H](CN1CCOC[C@H]1CC(=O)[O-])OC ZINC000385929886 711019354 /nfs/dbraw/zinc/01/93/54/711019354.db2.gz BIPPNPKNYODZHV-MNOVXSKESA-N -1 1 245.319 0.977 20 0 BCADMM CCC[C@H](CN1CCOC[C@H]1CC(=O)[O-])OC ZINC000385929883 711019405 /nfs/dbraw/zinc/01/94/05/711019405.db2.gz BIPPNPKNYODZHV-GHMZBOCLSA-N -1 1 245.319 0.977 20 0 BCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN1CC=CCC1 ZINC000392247327 711142960 /nfs/dbraw/zinc/14/29/60/711142960.db2.gz FJEZUMLJNMSYER-NXEZZACHSA-N -1 1 238.287 0.085 20 0 BCADMM Cc1nc(C[N-]C(=O)C(F)(F)C(F)F)n[nH]1 ZINC000392303322 711144642 /nfs/dbraw/zinc/14/46/42/711144642.db2.gz ASWYBOWSSXGGOI-UHFFFAOYSA-N -1 1 240.160 0.630 20 0 BCADMM CCC[C@@H](CN1CCO[C@@H](C(=O)[O-])C1)OC ZINC000386153984 711492328 /nfs/dbraw/zinc/49/23/28/711492328.db2.gz SQENOBGFBPIWJX-VHSXEESVSA-N -1 1 231.292 0.587 20 0 BCADMM CCCN(C(=O)Cc1ncn[nH]1)[C@H](C)C(=O)[O-] ZINC000911709497 711819379 /nfs/dbraw/zinc/81/93/79/711819379.db2.gz VGGTZGSJPXQWOB-SSDOTTSWSA-N -1 1 240.263 0.059 20 0 BCADMM 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/nfs/dbraw/zinc/68/32/74/345683274.db2.gz PDQFFIGGYNYWPF-UHFFFAOYSA-N -1 1 237.288 0.926 20 0 BCADMM O=C(c1ccoc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000095185174 345683532 /nfs/dbraw/zinc/68/35/32/345683532.db2.gz VHFSWMNZUSGVMU-MRVPVSSYSA-N -1 1 247.258 0.813 20 0 BCADMM C[C@@H](CN(C)C(=O)CC1CC1)c1nn[n-]n1 ZINC000095243060 345684114 /nfs/dbraw/zinc/68/41/14/345684114.db2.gz NWYLGMJOJMVURQ-ZETCQYMHSA-N -1 1 223.280 0.562 20 0 BCADMM C[C@@H](CN(C)C(=O)c1ccncc1)c1nn[n-]n1 ZINC000095243472 345684172 /nfs/dbraw/zinc/68/41/72/345684172.db2.gz LUNXFGGDIAXGNA-QMMMGPOBSA-N -1 1 246.274 0.470 20 0 BCADMM C[C@@H](CN(C)C(=O)C1CC1)c1nn[n-]n1 ZINC000095242952 345684225 /nfs/dbraw/zinc/68/42/25/345684225.db2.gz UXHYIGRUFLDQOP-LURJTMIESA-N -1 1 209.253 0.172 20 0 BCADMM Cc1cccc(C(=O)NC(C)(C)c2nn[n-]n2)n1 ZINC000095213960 345684378 /nfs/dbraw/zinc/68/43/78/345684378.db2.gz WBEFBKKGJAPFIR-UHFFFAOYSA-N -1 1 246.274 0.568 20 0 BCADMM CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000095256991 345684926 /nfs/dbraw/zinc/68/49/26/345684926.db2.gz GOLLHNVWSZGNAI-ZETCQYMHSA-N -1 1 209.253 0.316 20 0 BCADMM CCC[C@@H](NC(=O)[C@H]1CCCO1)c1nn[n-]n1 ZINC000095287684 345685050 /nfs/dbraw/zinc/68/50/50/345685050.db2.gz IYCYNRCYGJQDIO-HTQZYQBOSA-N -1 1 239.279 0.336 20 0 BCADMM CCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000095264466 345685107 /nfs/dbraw/zinc/68/51/07/345685107.db2.gz CTKNAAUWFAOQNP-MRVPVSSYSA-N -1 1 223.280 0.706 20 0 BCADMM CCCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000095286727 345685394 /nfs/dbraw/zinc/68/53/94/345685394.db2.gz VCASQEVYDPAPIZ-ZETCQYMHSA-N -1 1 211.269 0.562 20 0 BCADMM CCC[C@H](NC(=O)[C@@H]1CCOC1)c1nn[n-]n1 ZINC000095287685 345685442 /nfs/dbraw/zinc/68/54/42/345685442.db2.gz JWTWJQXGBYVMQZ-SFYZADRCSA-N -1 1 239.279 0.194 20 0 BCADMM O=C(NCc1nn[n-]n1)C1Cc2ccccc2C1 ZINC000236405517 537914536 /nfs/dbraw/zinc/91/45/36/537914536.db2.gz WFKYVNBBJWGFNR-UHFFFAOYSA-N -1 1 243.270 0.231 20 0 BCADMM CCN(C(=O)CCCc1nn[n-]n1)C1CCC1 ZINC000635586367 345880921 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345970142 /nfs/dbraw/zinc/97/01/42/345970142.db2.gz DJMYJCKSUFJKMD-SECBINFHSA-N -1 1 237.307 0.781 20 0 BCADMM CCc1cc(C(=O)Nc2ccncc2[O-])n(C)n1 ZINC000635741891 346054428 /nfs/dbraw/zinc/05/44/28/346054428.db2.gz HIARRGVQVAQTDI-UHFFFAOYSA-N -1 1 246.270 0.757 20 0 BCADMM O=C(CCCc1nn[n-]n1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000635866615 346098011 /nfs/dbraw/zinc/09/80/11/346098011.db2.gz HVMOGJROTSIFDL-AKZRSSKFSA-N -1 1 235.291 0.437 20 0 BCADMM C[C@H]1CC[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000635925939 346116007 /nfs/dbraw/zinc/11/60/07/346116007.db2.gz PYKZCXQSEAZYAN-JGVFFNPUSA-N -1 1 223.280 0.437 20 0 BCADMM O=C([O-])CNC(=O)c1ccc(F)cc1O ZINC000236423681 346239235 /nfs/dbraw/zinc/23/92/35/346239235.db2.gz SOTIOSXMVLJLLV-UHFFFAOYSA-N -1 1 213.164 0.346 20 0 BCADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000636111308 346321763 /nfs/dbraw/zinc/32/17/63/346321763.db2.gz KTKCCJUMYQNAQW-OPRDCNLKSA-N -1 1 249.318 0.827 20 0 BCADMM CC1(C)CC(NC(=O)CCCc2nn[n-]n2)C1 ZINC000636245029 346368077 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SNTOGUXKNNZMTI-LURJTMIESA-N -1 1 213.241 0.199 20 0 BCADMM O=C(CCCc1ccccn1)Nc1nnn[n-]1 ZINC000591434275 347659234 /nfs/dbraw/zinc/65/92/34/347659234.db2.gz ZDMXBGGUDYSIBC-UHFFFAOYSA-N -1 1 232.247 0.556 20 0 BCADMM O=C(CCCc1ccccn1)Nc1nn[n-]n1 ZINC000591434275 347659238 /nfs/dbraw/zinc/65/92/38/347659238.db2.gz ZDMXBGGUDYSIBC-UHFFFAOYSA-N -1 1 232.247 0.556 20 0 BCADMM CCOC(=O)c1cc(-c2ncnn2C)[n-]n1 ZINC000596646267 348604157 /nfs/dbraw/zinc/60/41/57/348604157.db2.gz PTAGWGKYEMMTJE-UHFFFAOYSA-N -1 1 221.220 0.382 20 0 BCADMM CCOC(=O)c1cc(-c2nc[nH]n2)[n-]n1 ZINC000596646313 348604366 /nfs/dbraw/zinc/60/43/66/348604366.db2.gz QKRBQBKKAQKVHK-UHFFFAOYSA-N -1 1 207.193 0.372 20 0 BCADMM CCOC(=O)c1cc(-c2nnco2)[n-]n1 ZINC000596646335 348604521 /nfs/dbraw/zinc/60/45/21/348604521.db2.gz QRHHZHYUMZBNIG-UHFFFAOYSA-N -1 1 208.177 0.636 20 0 BCADMM N#Cc1cnccc1NCc1nn[n-]n1 ZINC000308885197 349023654 /nfs/dbraw/zinc/02/36/54/349023654.db2.gz SJPMQIRSZLZJOY-UHFFFAOYSA-N -1 1 201.193 0.078 20 0 BCADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(N)=O ZINC000212387105 349326868 /nfs/dbraw/zinc/32/68/68/349326868.db2.gz HHPHQTPLYXOBLK-UHFFFAOYSA-N -1 1 209.249 0.475 20 0 BCADMM C[C@H](O)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000126818082 191008132 /nfs/dbraw/zinc/00/81/32/191008132.db2.gz YCRSNGULNKKVDQ-DTWKUNHWSA-N -1 1 236.271 0.630 20 0 BCADMM CC(C)(CCNC(=O)c1cnn[nH]1)C(=O)[O-] ZINC000309167051 350114219 /nfs/dbraw/zinc/11/42/19/350114219.db2.gz ZCRICEXNLODIKI-UHFFFAOYSA-N -1 1 226.236 0.035 20 0 BCADMM CC[C@](C)(O)CNC(=O)c1cncc([O-])c1 ZINC000083466718 350216248 /nfs/dbraw/zinc/21/62/48/350216248.db2.gz PCTGJWJCOPMUEB-NSHDSACASA-N -1 1 224.260 0.678 20 0 BCADMM Cc1cnc(C(=O)N[C@@H](C)CC(N)=O)c([O-])c1 ZINC000427470061 191077418 /nfs/dbraw/zinc/07/74/18/191077418.db2.gz FFCIEXNJURDOOJ-ZETCQYMHSA-N -1 1 237.259 0.089 20 0 BCADMM N#Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000006414974 350211161 /nfs/dbraw/zinc/21/11/61/350211161.db2.gz SHPIBEWXDOEOJC-UHFFFAOYSA-N -1 1 214.188 0.324 20 0 BCADMM N#Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000006414974 350211165 /nfs/dbraw/zinc/21/11/65/350211165.db2.gz SHPIBEWXDOEOJC-UHFFFAOYSA-N -1 1 214.188 0.324 20 0 BCADMM CCCCS[C@H](C)C(=O)NCc1nn[n-]n1 ZINC000609489096 350227421 /nfs/dbraw/zinc/22/74/21/350227421.db2.gz KGWSEUWTSMRWLH-SSDOTTSWSA-N -1 1 243.336 0.738 20 0 BCADMM CCC[C@H](O)CNC(=O)c1ncc(C)cc1[O-] ZINC000427750025 191090890 /nfs/dbraw/zinc/09/08/90/191090890.db2.gz SHYJOEUYZZCFGP-VIFPVBQESA-N -1 1 238.287 0.986 20 0 BCADMM CC(C)[C@@H](O)CCNC(=O)c1ncccc1[O-] ZINC000359477987 191101181 /nfs/dbraw/zinc/10/11/81/191101181.db2.gz WJFQRJRBKHBMGP-VIFPVBQESA-N -1 1 238.287 0.924 20 0 BCADMM C[C@H]1[C@H](C)N(C(=O)c2ncccc2[O-])CCN1C ZINC000428025968 191109303 /nfs/dbraw/zinc/10/93/03/191109303.db2.gz WUTIVWWTOKHRFT-UWVGGRQHSA-N -1 1 249.314 0.952 20 0 BCADMM CCc1nc(S(=O)(=O)CCF)n[n-]1 ZINC000336653537 350589208 /nfs/dbraw/zinc/58/92/08/350589208.db2.gz MIWGAKPBFAPHIQ-UHFFFAOYSA-N -1 1 207.230 0.110 20 0 BCADMM CN(CCc1nn[n-]n1)C(=O)OC(C)(C)C ZINC000095139493 350655254 /nfs/dbraw/zinc/65/52/54/350655254.db2.gz MJMSUOSALBSKRR-UHFFFAOYSA-N -1 1 227.268 0.609 20 0 BCADMM COC(=O)C[C@H](C)SCc1nn[n-]n1 ZINC000095224573 350656687 /nfs/dbraw/zinc/65/66/87/350656687.db2.gz GPIRFPPVVVQSES-YFKPBYRVSA-N -1 1 216.266 0.385 20 0 BCADMM COC(=O)[C@@H](C)CSCc1nn[n-]n1 ZINC000095228394 350656713 /nfs/dbraw/zinc/65/67/13/350656713.db2.gz DFLKEWDPSRZIOA-YFKPBYRVSA-N -1 1 216.266 0.242 20 0 BCADMM O=C(N[C@@H]1CCCC[C@@H]1O)c1ncccc1[O-] ZINC000052002305 350879570 /nfs/dbraw/zinc/87/95/70/350879570.db2.gz ZVCGVBKZGBHUKG-BDAKNGLRSA-N -1 1 236.271 0.821 20 0 BCADMM O=C(NCc1cocn1)c1ncccc1[O-] ZINC000397977297 350995797 /nfs/dbraw/zinc/99/57/97/350995797.db2.gz PQMPXPXVOYKQGR-UHFFFAOYSA-N -1 1 219.200 0.705 20 0 BCADMM CCN(Cc1nc(=O)n(C)[n-]1)Cc1ccccn1 ZINC000353474197 351968212 /nfs/dbraw/zinc/96/82/12/351968212.db2.gz FCONMULRYSHWQP-UHFFFAOYSA-N -1 1 247.302 0.526 20 0 BCADMM CCc1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000044927042 352499919 /nfs/dbraw/zinc/49/99/19/352499919.db2.gz XTIIXKKSDXLDFM-UHFFFAOYSA-N -1 1 231.259 0.692 20 0 BCADMM O=C(NCc1nn[n-]n1)c1ccccc1Cl ZINC000044927063 352500107 /nfs/dbraw/zinc/50/01/07/352500107.db2.gz HRNGLRVRGKKBIK-UHFFFAOYSA-N -1 1 237.650 0.783 20 0 BCADMM O=C(NCc1nn[n-]n1)c1ccc(F)cc1 ZINC000044929421 352502542 /nfs/dbraw/zinc/50/25/42/352502542.db2.gz GZIJBXKWRDXEQR-UHFFFAOYSA-N -1 1 221.195 0.269 20 0 BCADMM O=C(COCc1ccccc1)Nc1nnn[n-]1 ZINC000342856819 352877662 /nfs/dbraw/zinc/87/76/62/352877662.db2.gz HZRFECKXGJQMEJ-UHFFFAOYSA-N -1 1 233.231 0.355 20 0 BCADMM O=C(COCc1ccccc1)Nc1nn[n-]n1 ZINC000342856819 352877663 /nfs/dbraw/zinc/87/76/63/352877663.db2.gz HZRFECKXGJQMEJ-UHFFFAOYSA-N -1 1 233.231 0.355 20 0 BCADMM O=C(Nc1nnn[n-]1)c1cc(F)ccc1F ZINC000342850763 352874477 /nfs/dbraw/zinc/87/44/77/352874477.db2.gz AYFLESLXEKVDOM-UHFFFAOYSA-N -1 1 225.158 0.730 20 0 BCADMM O=C(Nc1nn[n-]n1)c1cc(F)ccc1F ZINC000342850763 352874479 /nfs/dbraw/zinc/87/44/79/352874479.db2.gz 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259637117 /nfs/dbraw/zinc/63/71/17/259637117.db2.gz CTJYKTLSYJVRFX-ZCFIWIBFSA-N -1 1 240.234 0.525 20 0 BCADMM C[C@H](CCCO)NC(=O)c1ncccc1[O-] ZINC000087361152 383831006 /nfs/dbraw/zinc/83/10/06/383831006.db2.gz ZBHHJDXVUKOTCP-MRVPVSSYSA-N -1 1 224.260 0.678 20 0 BCADMM CC(C)C[C@@H](C)OCCC(=O)Nc1nnn[n-]1 ZINC000087370820 383834237 /nfs/dbraw/zinc/83/42/37/383834237.db2.gz GPBLMLQOUOJQBB-MRVPVSSYSA-N -1 1 241.295 0.980 20 0 BCADMM CC(C)C[C@@H](C)OCCC(=O)Nc1nn[n-]n1 ZINC000087370820 383834244 /nfs/dbraw/zinc/83/42/44/383834244.db2.gz GPBLMLQOUOJQBB-MRVPVSSYSA-N -1 1 241.295 0.980 20 0 BCADMM CC[C@H](NC(=O)c1[nH]nc2c1CCC2)C(=O)[O-] ZINC000647254588 383991180 /nfs/dbraw/zinc/99/11/80/383991180.db2.gz ZNUSGBTVODLNCN-ZETCQYMHSA-N -1 1 237.259 0.491 20 0 BCADMM O=C1C[C@]2(CC[N@H+](Cc3ncccc3O)C2)CN1 ZINC000558408886 383991376 /nfs/dbraw/zinc/99/13/76/383991376.db2.gz JEBLUCHAWMIJED-CYBMUJFWSA-N -1 1 247.298 0.499 20 0 BCADMM CSCCCC(=O)Nc1nnn[n-]1 ZINC000071530327 383997201 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XGRQATULTVFUNN-JTQLQIEISA-N -1 1 222.244 0.696 20 0 BCADMM O=C([O-])c1coc(CN2CC[C@@H](O)C2)c1 ZINC000061710777 384670106 /nfs/dbraw/zinc/67/01/06/384670106.db2.gz RGQVIBOPODOANI-MRVPVSSYSA-N -1 1 211.217 0.544 20 0 BCADMM CCC(=O)CNC(=O)c1ncc(C)cc1[O-] ZINC000427531655 384704250 /nfs/dbraw/zinc/70/42/50/384704250.db2.gz SGHLSGOOCZMMCF-UHFFFAOYSA-N -1 1 222.244 0.805 20 0 BCADMM COCC[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000082687440 384704415 /nfs/dbraw/zinc/70/44/15/384704415.db2.gz AVBYSNWYNBAWFI-QMMMGPOBSA-N -1 1 224.260 0.942 20 0 BCADMM CC[C@@H](C)[C@H](CNC(=O)c1cnn[nH]1)OC ZINC000294275145 384713961 /nfs/dbraw/zinc/71/39/61/384713961.db2.gz SEIFPNMHENTAIR-APPZFPTMSA-N -1 1 226.280 0.596 20 0 BCADMM CC[C@](C)(O)CNC(=O)c1ncccc1[O-] ZINC000083467474 384775570 /nfs/dbraw/zinc/77/55/70/384775570.db2.gz FVUIKKVVMIXRTE-NSHDSACASA-N -1 1 224.260 0.678 20 0 BCADMM C[C@H](O)CCNC(=O)c1cncc([O-])c1 ZINC000082994730 384733736 /nfs/dbraw/zinc/73/37/36/384733736.db2.gz QUSNKXMKPWVSLX-ZETCQYMHSA-N -1 1 210.233 0.288 20 0 BCADMM CCO[N-]C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000083116740 384740809 /nfs/dbraw/zinc/74/08/09/384740809.db2.gz QEQOTOBVFRLLEN-NSHDSACASA-N -1 1 220.272 0.769 20 0 BCADMM CNC(=O)CCCNC(=O)c1ncccc1[O-] ZINC000398217941 384852144 /nfs/dbraw/zinc/85/21/44/384852144.db2.gz RNXXPOHMQQSKLZ-UHFFFAOYSA-N -1 1 237.259 0.043 20 0 BCADMM CC[C@@H](NC(=O)c1cnccc1N)C(=O)[O-] ZINC000557171527 384862255 /nfs/dbraw/zinc/86/22/55/384862255.db2.gz SJSDMZBFNWCKNM-MRVPVSSYSA-N -1 1 223.232 0.087 20 0 BCADMM CC[C@@H](C)C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000643909123 384943328 /nfs/dbraw/zinc/94/33/28/384943328.db2.gz GHTLPTHSUHVDMQ-ZCFIWIBFSA-N -1 1 249.274 0.711 20 0 BCADMM C[C@H](C[S@](C)=O)NC(=O)c1cncc([O-])c1 ZINC000164376238 384978237 /nfs/dbraw/zinc/97/82/37/384978237.db2.gz DRKSNNBNMOVDPO-VGDKGRGNSA-N -1 1 242.300 0.284 20 0 BCADMM Cc1cnc(C(=O)N(C)[C@H]2CCOC2)c([O-])c1 ZINC000408369338 385049477 /nfs/dbraw/zinc/04/94/77/385049477.db2.gz VSRKFCMXGXTSPY-VIFPVBQESA-N -1 1 236.271 0.957 20 0 BCADMM C[C@@H](CO)NC(=O)c1cc(F)ccc1[O-] ZINC000130804280 385057006 /nfs/dbraw/zinc/05/70/06/385057006.db2.gz MPHQLENBNKTEAZ-LURJTMIESA-N -1 1 213.208 0.642 20 0 BCADMM CO[C@H](C)c1nc(=NCC[NH+](C)C)s[n-]1 ZINC000336682234 385024266 /nfs/dbraw/zinc/02/42/66/385024266.db2.gz JIDGSEUBXVIKDY-SSDOTTSWSA-N -1 1 230.337 0.641 20 0 BCADMM C[C@@H]1CCCC[C@@H]1C(=O)NCc1nn[n-]n1 ZINC000644634503 385035892 /nfs/dbraw/zinc/03/58/92/385035892.db2.gz KZVBLODLHPCXSU-SFYZADRCSA-N -1 1 223.280 0.642 20 0 BCADMM COc1ccccc1C=CC(=O)Nc1nnn[n-]1 ZINC000255891676 385120220 /nfs/dbraw/zinc/12/02/20/385120220.db2.gz BXWQOSNVFXQBAA-SREVYHEPSA-N -1 1 245.242 0.860 20 0 BCADMM COc1ccccc1C=CC(=O)Nc1nn[n-]n1 ZINC000255891676 385120225 /nfs/dbraw/zinc/12/02/25/385120225.db2.gz BXWQOSNVFXQBAA-SREVYHEPSA-N -1 1 245.242 0.860 20 0 BCADMM CC1(C)C[C@@H]1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000157181869 385089666 /nfs/dbraw/zinc/08/96/66/385089666.db2.gz YHUUKIKMWWEEGI-SSDOTTSWSA-N -1 1 238.291 0.193 20 0 BCADMM 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CO[C@@H](C)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000190611311 385252259 /nfs/dbraw/zinc/25/22/59/385252259.db2.gz QZCWRIGPYVHDJN-YUMQZZPRSA-N -1 1 224.260 0.940 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000364249243 385295157 /nfs/dbraw/zinc/29/51/57/385295157.db2.gz SGENGKUAJDUSHY-ZETCQYMHSA-N -1 1 231.215 0.314 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000364249243 385295163 /nfs/dbraw/zinc/29/51/63/385295163.db2.gz SGENGKUAJDUSHY-ZETCQYMHSA-N -1 1 231.215 0.314 20 0 BCADMM C[C@H](C[S@](C)=O)NC(=O)c1ncccc1[O-] ZINC000154018537 385296225 /nfs/dbraw/zinc/29/62/25/385296225.db2.gz SLLWCCZFXSZLFL-VGDKGRGNSA-N -1 1 242.300 0.284 20 0 BCADMM CCc1cc(C(=O)N(CC(=O)[O-])C(C)C)n[nH]1 ZINC000178070839 385330101 /nfs/dbraw/zinc/33/01/01/385330101.db2.gz ZPZCJVQRMLDPBJ-UHFFFAOYSA-N -1 1 239.275 0.907 20 0 BCADMM O=C(NCc1nn[n-]n1)c1cc[nH]c1C1CCC1 ZINC000643982704 385349341 /nfs/dbraw/zinc/34/93/41/385349341.db2.gz OZVGESKUBNPUTA-UHFFFAOYSA-N -1 1 246.274 0.725 20 0 BCADMM 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CCC[C@H](O)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820408245 587046637 /nfs/dbraw/zinc/04/66/37/587046637.db2.gz YVDXKIMAEJTFCZ-LURJTMIESA-N -1 1 213.237 0.523 20 0 BCADMM CN(CCC(=O)[O-])Cc1cc(C(N)=O)cs1 ZINC000820586154 587056202 /nfs/dbraw/zinc/05/62/02/587056202.db2.gz NINUCYMQTBGYOO-UHFFFAOYSA-N -1 1 242.300 0.754 20 0 BCADMM C[C@H]1C[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820665203 587064357 /nfs/dbraw/zinc/06/43/57/587064357.db2.gz FBCCUEIJGLNHCP-WDSKDSINSA-N -1 1 247.262 0.195 20 0 BCADMM C[C@H]1C[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820665203 587064359 /nfs/dbraw/zinc/06/43/59/587064359.db2.gz FBCCUEIJGLNHCP-WDSKDSINSA-N -1 1 247.262 0.195 20 0 BCADMM CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)[O-])[C@@H]2C1 ZINC000820702764 587067036 /nfs/dbraw/zinc/06/70/36/587067036.db2.gz DVSAWPSBTCSYKX-MXWKQRLJSA-N -1 1 243.303 0.729 20 0 BCADMM COCCN(CC(=O)[O-])CC1=CCCOC1 ZINC000820723451 587068786 /nfs/dbraw/zinc/06/87/86/587068786.db2.gz GADCUQCUXVRGOZ-UHFFFAOYSA-N -1 1 229.276 0.366 20 0 BCADMM CC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820989127 587086398 /nfs/dbraw/zinc/08/63/98/587086398.db2.gz MLXQSFHFVHJRBI-MRVPVSSYSA-N -1 1 245.290 0.893 20 0 BCADMM CC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820989127 587086399 /nfs/dbraw/zinc/08/63/99/587086399.db2.gz MLXQSFHFVHJRBI-MRVPVSSYSA-N -1 1 245.290 0.893 20 0 BCADMM C[C@@H]1CC[C@H](NC(=O)CCCc2nn[n-]n2)C1 ZINC000822275780 587160420 /nfs/dbraw/zinc/16/04/20/587160420.db2.gz AVLHEHFCGCLGEG-BDAKNGLRSA-N -1 1 237.307 0.827 20 0 BCADMM O=C(CCCc1nn[n-]n1)N1CCC[C@@H]2C[C@@H]21 ZINC000822857293 587189964 /nfs/dbraw/zinc/18/99/64/587189964.db2.gz PKDWLQCPBLCHQU-BDAKNGLRSA-N -1 1 235.291 0.533 20 0 BCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCCC1 ZINC000823289435 587214009 /nfs/dbraw/zinc/21/40/09/587214009.db2.gz IWYNFCVBQLSDMA-UHFFFAOYSA-N -1 1 247.262 0.719 20 0 BCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCCC1 ZINC000823289435 587214010 /nfs/dbraw/zinc/21/40/10/587214010.db2.gz IWYNFCVBQLSDMA-UHFFFAOYSA-N -1 1 247.262 0.719 20 0 BCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCC1 ZINC000823289977 587214098 /nfs/dbraw/zinc/21/40/98/587214098.db2.gz QVXPIRNNISFRGR-UHFFFAOYSA-N -1 1 233.235 0.328 20 0 BCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCC1 ZINC000823289977 587214100 /nfs/dbraw/zinc/21/41/00/587214100.db2.gz QVXPIRNNISFRGR-UHFFFAOYSA-N -1 1 233.235 0.328 20 0 BCADMM C[C@H](C(=O)N(C)C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823653438 587234850 /nfs/dbraw/zinc/23/48/50/587234850.db2.gz ATKMRDBHHJPFTP-RKDXNWHRSA-N -1 1 243.307 0.147 20 0 BCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1CCOC1 ZINC000823657756 587235353 /nfs/dbraw/zinc/23/53/53/587235353.db2.gz UGDCOWDPCRJPHP-MRVPVSSYSA-N -1 1 247.258 0.065 20 0 BCADMM CC[C@H](CC(C)C)C(=O)NN1CC(=O)[N-]C1=O ZINC000823736696 587238716 /nfs/dbraw/zinc/23/87/16/587238716.db2.gz KZRVXOJZNRFJQL-MRVPVSSYSA-N -1 1 241.291 0.642 20 0 BCADMM CC(C)(CNCc1ncc[nH]1)NC(=O)[O-] ZINC000824011481 587247939 /nfs/dbraw/zinc/24/79/39/587247939.db2.gz OWXSOCYBDYDUCC-UHFFFAOYSA-N -1 1 212.253 0.546 20 0 BCADMM CC(C)(O)CCn1ccnc1-c1nnn[n-]1 ZINC000824172967 587259366 /nfs/dbraw/zinc/25/93/66/587259366.db2.gz RTAIYHMKFRMPCB-UHFFFAOYSA-N -1 1 222.252 0.224 20 0 BCADMM CC(C)(O)CCn1ccnc1-c1nn[n-]n1 ZINC000824172967 587259367 /nfs/dbraw/zinc/25/93/67/587259367.db2.gz RTAIYHMKFRMPCB-UHFFFAOYSA-N -1 1 222.252 0.224 20 0 BCADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN(C)C ZINC000824182622 587259771 /nfs/dbraw/zinc/25/97/71/587259771.db2.gz LDNQTHSXMPYOMA-VIFPVBQESA-N -1 1 245.323 0.347 20 0 BCADMM CC(C)OCCCn1ccnc1-c1nnn[n-]1 ZINC000824315101 587266004 /nfs/dbraw/zinc/26/60/04/587266004.db2.gz KGIVLMDNVNPJOE-UHFFFAOYSA-N -1 1 236.279 0.878 20 0 BCADMM CC(C)OCCCn1ccnc1-c1nn[n-]n1 ZINC000824315101 587266005 /nfs/dbraw/zinc/26/60/05/587266005.db2.gz KGIVLMDNVNPJOE-UHFFFAOYSA-N -1 1 236.279 0.878 20 0 BCADMM C[C@H](O)C[N@H+](C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824698301 587283520 /nfs/dbraw/zinc/28/35/20/587283520.db2.gz KFBIQGLGSCZOBJ-QMMMGPOBSA-N -1 1 248.290 0.074 20 0 BCADMM CC1(C)C[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824795976 587287949 /nfs/dbraw/zinc/28/79/49/587287949.db2.gz KOGRMERCQPRNFV-LURJTMIESA-N -1 1 247.262 0.332 20 0 BCADMM C[C@]1(O)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824843802 587289862 /nfs/dbraw/zinc/28/98/62/587289862.db2.gz KPGKGZYLUXHQNU-NSHDSACASA-N -1 1 246.274 0.223 20 0 BCADMM C[C@]1(O)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824843802 587289863 /nfs/dbraw/zinc/28/98/63/587289863.db2.gz KPGKGZYLUXHQNU-NSHDSACASA-N -1 1 246.274 0.223 20 0 BCADMM C[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824901547 587292792 /nfs/dbraw/zinc/29/27/92/587292792.db2.gz ZAFOKENXYNDLCQ-IYSWYEEDSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824901547 587292793 /nfs/dbraw/zinc/29/27/93/587292793.db2.gz ZAFOKENXYNDLCQ-IYSWYEEDSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@H]1CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824962164 587295166 /nfs/dbraw/zinc/29/51/66/587295166.db2.gz PKMURDRJTZGKHR-ZETCQYMHSA-N -1 1 216.248 0.860 20 0 BCADMM C[C@H]1CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824962164 587295168 /nfs/dbraw/zinc/29/51/68/587295168.db2.gz PKMURDRJTZGKHR-ZETCQYMHSA-N -1 1 216.248 0.860 20 0 BCADMM C[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825005851 587298222 /nfs/dbraw/zinc/29/82/22/587298222.db2.gz DOOBUSHYALUDIZ-MRVPVSSYSA-N -1 1 249.274 0.680 20 0 BCADMM C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825005851 587298223 /nfs/dbraw/zinc/29/82/23/587298223.db2.gz DOOBUSHYALUDIZ-MRVPVSSYSA-N -1 1 249.274 0.680 20 0 BCADMM CC[C@H](C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825052504 587300725 /nfs/dbraw/zinc/30/07/25/587300725.db2.gz XVRIZTFZERHMKX-LURJTMIESA-N -1 1 235.251 0.073 20 0 BCADMM C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1nnc[nH]1 ZINC000825067397 587302267 /nfs/dbraw/zinc/30/22/67/587302267.db2.gz UGXPBTOMPFOEDK-YFKPBYRVSA-N -1 1 241.251 0.028 20 0 BCADMM C[C@H](NC(=O)CCCNC(=O)[O-])c1nnc[nH]1 ZINC000825115649 587305618 /nfs/dbraw/zinc/30/56/18/587305618.db2.gz OHNMZONUJHTBQG-LURJTMIESA-N -1 1 241.251 0.030 20 0 BCADMM CCCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000825362512 587317102 /nfs/dbraw/zinc/31/71/02/587317102.db2.gz NBTLWSWRYAPMHJ-UHFFFAOYSA-N -1 1 234.263 0.450 20 0 BCADMM CCN(c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000825444065 587319822 /nfs/dbraw/zinc/31/98/22/587319822.db2.gz IKURNCNUISSGOB-UHFFFAOYSA-N -1 1 233.279 0.891 20 0 BCADMM CCN(c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000825444065 587319824 /nfs/dbraw/zinc/31/98/24/587319824.db2.gz IKURNCNUISSGOB-UHFFFAOYSA-N -1 1 233.279 0.891 20 0 BCADMM C[C@@H](NCCNC(=O)[O-])c1cnccn1 ZINC000825496403 587321362 /nfs/dbraw/zinc/32/13/62/587321362.db2.gz QPCWCGRJRKHKCC-SSDOTTSWSA-N -1 1 210.237 0.395 20 0 BCADMM C[C@H](C(=O)N(C)c1nn[n-]n1)c1cccc(O)c1 ZINC000825532002 587323791 /nfs/dbraw/zinc/32/37/91/587323791.db2.gz QOLWTVRTSUEAHA-ZETCQYMHSA-N -1 1 247.258 0.672 20 0 BCADMM CN(C(=O)C[C@@H]1CCCC1(F)F)c1nn[n-]n1 ZINC000825530687 587323870 /nfs/dbraw/zinc/32/38/70/587323870.db2.gz GTXGPSNCVOXYOS-LURJTMIESA-N -1 1 245.233 0.988 20 0 BCADMM CCOCCN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000825595351 587326333 /nfs/dbraw/zinc/32/63/33/587326333.db2.gz ZLODILOUFPKRCC-UHFFFAOYSA-N -1 1 248.290 0.734 20 0 BCADMM CCOCCN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000825595351 587326334 /nfs/dbraw/zinc/32/63/34/587326334.db2.gz ZLODILOUFPKRCC-UHFFFAOYSA-N -1 1 248.290 0.734 20 0 BCADMM CCOCCCn1ccnc1-c1nnn[n-]1 ZINC000825593860 587326392 /nfs/dbraw/zinc/32/63/92/587326392.db2.gz FVCBGZVKNBADPE-UHFFFAOYSA-N -1 1 222.252 0.490 20 0 BCADMM CCOCCCn1ccnc1-c1nn[n-]n1 ZINC000825593860 587326394 /nfs/dbraw/zinc/32/63/94/587326394.db2.gz FVCBGZVKNBADPE-UHFFFAOYSA-N -1 1 222.252 0.490 20 0 BCADMM C/C(=C\CN(C)[C@H]1CCCCNC1=O)C(=O)[O-] ZINC000825730490 587333958 /nfs/dbraw/zinc/33/39/58/587333958.db2.gz XQHDBMIPXMQEPP-ZKXNXJMVSA-N -1 1 240.303 0.618 20 0 BCADMM CC1CCN(CC(=O)NCCNC(=O)[O-])CC1 ZINC000825945717 587346944 /nfs/dbraw/zinc/34/69/44/587346944.db2.gz YRAITNGRJNFGOG-UHFFFAOYSA-N -1 1 243.307 0.102 20 0 BCADMM C[C@@H]1CN(CCNC(=O)[O-])CCS1 ZINC000826056649 587349824 /nfs/dbraw/zinc/34/98/24/587349824.db2.gz DSFQXVSPQBYUIV-SSDOTTSWSA-N -1 1 204.295 0.691 20 0 BCADMM COC1(C)CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826143745 587351168 /nfs/dbraw/zinc/35/11/68/587351168.db2.gz NYJUNFQILLRTCE-UHFFFAOYSA-N -1 1 246.274 0.487 20 0 BCADMM COC1(C)CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826143745 587351169 /nfs/dbraw/zinc/35/11/69/587351169.db2.gz NYJUNFQILLRTCE-UHFFFAOYSA-N -1 1 246.274 0.487 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H](C)CCO ZINC000826280542 587352036 /nfs/dbraw/zinc/35/20/36/587352036.db2.gz GAIUGMMWUXDZFQ-MRVPVSSYSA-N -1 1 248.290 0.753 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nnn[n-]2)s1 ZINC000826318694 587352254 /nfs/dbraw/zinc/35/22/54/587352254.db2.gz VNMFOLBDGMQDEW-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nn[n-]n2)s1 ZINC000826318694 587352255 /nfs/dbraw/zinc/35/22/55/587352255.db2.gz VNMFOLBDGMQDEW-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nnn[n-]2)o1 ZINC000826318390 587352472 /nfs/dbraw/zinc/35/24/72/587352472.db2.gz HHGTYXHCAPHODW-UHFFFAOYSA-N -1 1 231.219 0.408 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nn[n-]n2)o1 ZINC000826318390 587352473 /nfs/dbraw/zinc/35/24/73/587352473.db2.gz HHGTYXHCAPHODW-UHFFFAOYSA-N -1 1 231.219 0.408 20 0 BCADMM FC1=CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370210 587352692 /nfs/dbraw/zinc/35/26/92/587352692.db2.gz ILIOYOMYNOQJLC-UHFFFAOYSA-N -1 1 247.237 0.720 20 0 BCADMM FC1=CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370210 587352693 /nfs/dbraw/zinc/35/26/93/587352693.db2.gz ILIOYOMYNOQJLC-UHFFFAOYSA-N -1 1 247.237 0.720 20 0 BCADMM OCC1(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826508614 587353032 /nfs/dbraw/zinc/35/30/32/587353032.db2.gz VYMDRXASTKUBRA-UHFFFAOYSA-N -1 1 232.247 0.199 20 0 BCADMM OCC1(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826508614 587353033 /nfs/dbraw/zinc/35/30/33/587353033.db2.gz VYMDRXASTKUBRA-UHFFFAOYSA-N -1 1 232.247 0.199 20 0 BCADMM c1c[nH]c(Sc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826512678 587353475 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587069511 /nfs/dbraw/zinc/06/95/11/587069511.db2.gz JIBJWLZUSJEZIH-UHFFFAOYSA-N -1 1 230.289 0.854 20 0 BCADMM CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821635380 587133705 /nfs/dbraw/zinc/13/37/05/587133705.db2.gz ZIXGBBARMZVNKL-UHFFFAOYSA-N -1 1 209.234 0.288 20 0 BCADMM CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821635380 587133706 /nfs/dbraw/zinc/13/37/06/587133706.db2.gz ZIXGBBARMZVNKL-UHFFFAOYSA-N -1 1 209.234 0.288 20 0 BCADMM CC1(C)CC[C@@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000822331725 587163047 /nfs/dbraw/zinc/16/30/47/587163047.db2.gz FGJXEQCIPGKVCX-ZCFIWIBFSA-N -1 1 225.248 0.006 20 0 BCADMM CC1(C)CC[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000822922656 587192964 /nfs/dbraw/zinc/19/29/64/587192964.db2.gz QERBPURHDQMXRL-MRVPVSSYSA-N -1 1 237.307 0.827 20 0 BCADMM O=c1c(-c2nn[n-]n2)cccn1CCCF ZINC000823657629 587235162 /nfs/dbraw/zinc/23/51/62/587235162.db2.gz SRIKKYBRIVYGOQ-UHFFFAOYSA-N -1 1 223.211 0.388 20 0 BCADMM C[C@H](C(N)=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823737810 587238578 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/nfs/dbraw/zinc/26/09/31/587260931.db2.gz FMFHEWHKTDPCPD-MRVPVSSYSA-N -1 1 249.278 0.086 20 0 BCADMM CC(C)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824257809 587263522 /nfs/dbraw/zinc/26/35/22/587263522.db2.gz VQLBUDIZYQIKQI-ZJUUUORDSA-N -1 1 230.308 0.999 20 0 BCADMM CC(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824266918 587264060 /nfs/dbraw/zinc/26/40/60/587264060.db2.gz TZBPHGKXXNHXLU-UHFFFAOYSA-N -1 1 219.252 0.725 20 0 BCADMM CC(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824266918 587264061 /nfs/dbraw/zinc/26/40/61/587264061.db2.gz TZBPHGKXXNHXLU-UHFFFAOYSA-N -1 1 219.252 0.725 20 0 BCADMM CC(C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824288717 587265060 /nfs/dbraw/zinc/26/50/60/587265060.db2.gz KZBOXEXAQIVYLN-UHFFFAOYSA-N -1 1 219.252 0.501 20 0 BCADMM CC(C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824288717 587265062 /nfs/dbraw/zinc/26/50/62/587265062.db2.gz KZBOXEXAQIVYLN-UHFFFAOYSA-N -1 1 219.252 0.501 20 0 BCADMM O=C(CCCc1nn[n-]n1)NOCC1CCC1 ZINC000824736356 587284781 /nfs/dbraw/zinc/28/47/81/587284781.db2.gz RELDNAHLZYZPPZ-UHFFFAOYSA-N -1 1 239.279 0.370 20 0 BCADMM CC1(Cn2ccnc2-c2nnn[n-]2)COC1 ZINC000824833160 587289379 /nfs/dbraw/zinc/28/93/79/587289379.db2.gz YGOGVDCTXPJIQX-UHFFFAOYSA-N -1 1 220.236 0.100 20 0 BCADMM CC1(Cn2ccnc2-c2nn[n-]n2)COC1 ZINC000824833160 587289381 /nfs/dbraw/zinc/28/93/81/587289381.db2.gz YGOGVDCTXPJIQX-UHFFFAOYSA-N -1 1 220.236 0.100 20 0 BCADMM C[C@@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824874503 587291308 /nfs/dbraw/zinc/29/13/08/587291308.db2.gz DCZSVJRDWKBNDC-SFYZADRCSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824874503 587291310 /nfs/dbraw/zinc/29/13/10/587291310.db2.gz DCZSVJRDWKBNDC-SFYZADRCSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC000824961084 587294983 /nfs/dbraw/zinc/29/49/83/587294983.db2.gz BBSFGEQQQOZILY-SFYZADRCSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC000824961084 587294984 /nfs/dbraw/zinc/29/49/84/587294984.db2.gz BBSFGEQQQOZILY-SFYZADRCSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC000824992729 587297897 /nfs/dbraw/zinc/29/78/97/587297897.db2.gz NSKJDDJUFGYWQS-OCAPTIKFSA-N -1 1 245.290 0.749 20 0 BCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC000824992729 587297899 /nfs/dbraw/zinc/29/78/99/587297899.db2.gz NSKJDDJUFGYWQS-OCAPTIKFSA-N -1 1 245.290 0.749 20 0 BCADMM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825022573 587299244 /nfs/dbraw/zinc/29/92/44/587299244.db2.gz YKYWBCXIQAKQPS-RQJHMYQMSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825022573 587299245 /nfs/dbraw/zinc/29/92/45/587299245.db2.gz YKYWBCXIQAKQPS-RQJHMYQMSA-N -1 1 247.262 0.246 20 0 BCADMM CC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825115377 587305581 /nfs/dbraw/zinc/30/55/81/587305581.db2.gz XBIITKNCCDXDAN-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM CC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825115377 587305582 /nfs/dbraw/zinc/30/55/82/587305582.db2.gz XBIITKNCCDXDAN-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@@H](NC1CN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825485320 587321089 /nfs/dbraw/zinc/32/10/89/587321089.db2.gz OGVCVMKEAUBOQY-SSDOTTSWSA-N -1 1 224.264 0.433 20 0 BCADMM CCOC(=O)/C=C\Cn1ccnc1-c1nnn[n-]1 ZINC000825499867 587322133 /nfs/dbraw/zinc/32/21/33/587322133.db2.gz WHFATSAOFTZNAG-ARJAWSKDSA-N -1 1 248.246 0.183 20 0 BCADMM CCOC(=O)/C=C\Cn1ccnc1-c1nn[n-]n1 ZINC000825499867 587322135 /nfs/dbraw/zinc/32/21/35/587322135.db2.gz WHFATSAOFTZNAG-ARJAWSKDSA-N -1 1 248.246 0.183 20 0 BCADMM CN(C(=O)C[C@H]1CCCC1(F)F)c1nn[n-]n1 ZINC000825530690 587323775 /nfs/dbraw/zinc/32/37/75/587323775.db2.gz GTXGPSNCVOXYOS-ZCFIWIBFSA-N -1 1 245.233 0.988 20 0 BCADMM CC1(C)CN(C(=O)[O-])CCN1CCOCCO ZINC000825728958 587334351 /nfs/dbraw/zinc/33/43/51/587334351.db2.gz IBEOOYJOJFWUGW-UHFFFAOYSA-N -1 1 246.307 0.070 20 0 BCADMM C/C(=C\CN(C)Cc1nnc[nH]1)C(=O)[O-] ZINC000825730617 587334357 /nfs/dbraw/zinc/33/43/57/587334357.db2.gz ZIBGQDCJTWAHJW-XVNBXDOJSA-N -1 1 210.237 0.267 20 0 BCADMM C/C(=C\COC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000825764220 587337923 /nfs/dbraw/zinc/33/79/23/587337923.db2.gz DBDVJISEJXMKJJ-QPJJXVBHSA-N -1 1 239.231 0.311 20 0 BCADMM C[C@@H]1CN(CCF)CC[C@@H]1NC(=O)[O-] ZINC000826056439 587349716 /nfs/dbraw/zinc/34/97/16/587349716.db2.gz CRVIRMNQMNHHNO-SFYZADRCSA-N -1 1 204.245 0.934 20 0 BCADMM C[C@@H]1CN(CCC(C)(C)O)CCN1C(=O)[O-] ZINC000826058023 587349975 /nfs/dbraw/zinc/34/99/75/587349975.db2.gz MHPOIJGIJUASOD-SECBINFHSA-N -1 1 230.308 0.832 20 0 BCADMM FC1=CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826370510 587352601 /nfs/dbraw/zinc/35/26/01/587352601.db2.gz WJLLXPXFKXXNQN-UHFFFAOYSA-N -1 1 247.237 0.720 20 0 BCADMM FC1=CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826370510 587352602 /nfs/dbraw/zinc/35/26/02/587352602.db2.gz WJLLXPXFKXXNQN-UHFFFAOYSA-N -1 1 247.237 0.720 20 0 BCADMM O=C1CCC[C@@H]1CCn1ccnc1-c1nnn[n-]1 ZINC000826480234 587352787 /nfs/dbraw/zinc/35/27/87/587352787.db2.gz VKYFRBZKYJWPPW-MRVPVSSYSA-N -1 1 246.274 0.823 20 0 BCADMM O=C1CCC[C@@H]1CCn1ccnc1-c1nn[n-]n1 ZINC000826480234 587352788 /nfs/dbraw/zinc/35/27/88/587352788.db2.gz VKYFRBZKYJWPPW-MRVPVSSYSA-N -1 1 246.274 0.823 20 0 BCADMM OCC1(Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC000826508479 587353281 /nfs/dbraw/zinc/35/32/81/587353281.db2.gz QIOXNSAUWLJPBR-UHFFFAOYSA-N -1 1 246.274 0.589 20 0 BCADMM OCC1(Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC000826508479 587353282 /nfs/dbraw/zinc/35/32/82/587353282.db2.gz QIOXNSAUWLJPBR-UHFFFAOYSA-N -1 1 246.274 0.589 20 0 BCADMM c1cn(C[C@@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC000826524871 587353698 /nfs/dbraw/zinc/35/36/98/587353698.db2.gz NNGZVCTUBZRQIN-QMMMGPOBSA-N -1 1 234.263 0.490 20 0 BCADMM c1cn(C[C@@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC000826524871 587353699 /nfs/dbraw/zinc/35/36/99/587353699.db2.gz NNGZVCTUBZRQIN-QMMMGPOBSA-N -1 1 234.263 0.490 20 0 BCADMM OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826510450 587353893 /nfs/dbraw/zinc/35/38/93/587353893.db2.gz RJAFNEVYYFHFTP-UHFFFAOYSA-N -1 1 224.195 0.377 20 0 BCADMM OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826510450 587353894 /nfs/dbraw/zinc/35/38/94/587353894.db2.gz RJAFNEVYYFHFTP-UHFFFAOYSA-N -1 1 224.195 0.377 20 0 BCADMM c1nc(CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC000826526871 587354092 /nfs/dbraw/zinc/35/40/92/587354092.db2.gz PZPQOOJDZLTKBJ-UHFFFAOYSA-N -1 1 244.218 0.257 20 0 BCADMM c1nc(CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC000826526871 587354093 /nfs/dbraw/zinc/35/40/93/587354093.db2.gz PZPQOOJDZLTKBJ-UHFFFAOYSA-N -1 1 244.218 0.257 20 0 BCADMM CC(C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000826651572 587357982 /nfs/dbraw/zinc/35/79/82/587357982.db2.gz INPPAUORIGNXMO-JTQLQIEISA-N -1 1 242.319 0.650 20 0 BCADMM C[C@H](CC(=O)[O-])C(=O)NCc1cnc[nH]1 ZINC000827295925 587376039 /nfs/dbraw/zinc/37/60/39/587376039.db2.gz PODCHSDMAVIJRB-ZCFIWIBFSA-N -1 1 211.221 0.137 20 0 BCADMM C[C@H](CN(C)C(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000827437162 587381374 /nfs/dbraw/zinc/38/13/74/587381374.db2.gz SMKZWJGPIUCZRT-SFYZADRCSA-N -1 1 216.281 0.116 20 0 BCADMM C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc[nH]1 ZINC000867049188 587401167 /nfs/dbraw/zinc/40/11/67/587401167.db2.gz SRAZAONFDNORJU-SSDOTTSWSA-N -1 1 234.263 0.338 20 0 BCADMM CN(C)C(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827960059 587413392 /nfs/dbraw/zinc/41/33/92/587413392.db2.gz FCVOPQHATYMFGT-VIFPVBQESA-N -1 1 243.307 0.149 20 0 BCADMM C[C@]1(C(=O)[O-])CCN(CN2CCSC2=O)C1 ZINC000828029063 587417412 /nfs/dbraw/zinc/41/74/12/587417412.db2.gz ORSFIRUTCMCLPD-JTQLQIEISA-N -1 1 244.316 0.909 20 0 BCADMM C[C@]1(C(=O)[O-])CCN(Cn2cc[nH]c2=S)C1 ZINC000828029005 587417427 /nfs/dbraw/zinc/41/74/27/587417427.db2.gz MAMZWXDIWJLPGW-JTQLQIEISA-N -1 1 241.316 0.926 20 0 BCADMM C[C@H]1CCN(Cn2cnc(C(=O)[O-])n2)[C@H]1C ZINC000828295633 587432385 /nfs/dbraw/zinc/43/23/85/587432385.db2.gz LNKMQFGWWBIFSS-YUMQZZPRSA-N -1 1 224.264 0.664 20 0 BCADMM C[C@@H]1[C@@H](C)CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828296456 587432463 /nfs/dbraw/zinc/43/24/63/587432463.db2.gz YTZNXTGCBLJWIT-JGVFFNPUSA-N -1 1 224.264 0.664 20 0 BCADMM C[N@@H+](CCNC(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000828329758 587435738 /nfs/dbraw/zinc/43/57/38/587435738.db2.gz LGQSCEHHPSEAEP-NSHDSACASA-N -1 1 238.287 0.919 20 0 BCADMM CN(CCNC(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000828329758 587435739 /nfs/dbraw/zinc/43/57/39/587435739.db2.gz LGQSCEHHPSEAEP-NSHDSACASA-N -1 1 238.287 0.919 20 0 BCADMM C[C@H]1CN(CC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828438579 587442518 /nfs/dbraw/zinc/44/25/18/587442518.db2.gz DZRUMHQPHXIXQK-IUCAKERBSA-N -1 1 243.303 0.981 20 0 BCADMM C[C@@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@H]1C ZINC000828463574 587444202 /nfs/dbraw/zinc/44/42/02/587444202.db2.gz RAGPXIIRDFLYFU-HTQZYQBOSA-N -1 1 224.264 0.522 20 0 BCADMM CC[C@H](C)NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828758194 587460492 /nfs/dbraw/zinc/46/04/92/587460492.db2.gz IDKRIUNDVIOMOL-WCBMZHEXSA-N -1 1 244.335 0.990 20 0 BCADMM CC[C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000828758192 587460809 /nfs/dbraw/zinc/46/08/09/587460809.db2.gz IDKRIUNDVIOMOL-SCZZXKLOSA-N -1 1 244.335 0.990 20 0 BCADMM CCC(CC)(NC(=O)[C@H]1CCCN1C)C(=O)[O-] ZINC000828824596 587464810 /nfs/dbraw/zinc/46/48/10/587464810.db2.gz LJJSZUDUWWAURG-SECBINFHSA-N -1 1 242.319 0.840 20 0 BCADMM COCC[C@@H](C)N1CCN(C(=O)[O-])CC1 ZINC000828935008 587473300 /nfs/dbraw/zinc/47/33/00/587473300.db2.gz ZDBPPIRKPZYPIT-SECBINFHSA-N -1 1 216.281 0.707 20 0 BCADMM CCCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829177222 587486769 /nfs/dbraw/zinc/48/67/69/587486769.db2.gz MMHFZWIJFWEYMM-SNVBAGLBSA-N -1 1 242.319 0.794 20 0 BCADMM CCCCC[C@H](NC(=O)CN(C)C)C(=O)[O-] ZINC000829321221 587492261 /nfs/dbraw/zinc/49/22/61/587492261.db2.gz OJTHNXIPROSVOL-VIFPVBQESA-N -1 1 230.308 0.698 20 0 BCADMM CCCCOC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829402067 587496030 /nfs/dbraw/zinc/49/60/30/587496030.db2.gz PACKVYJJZFMXHD-UWVGGRQHSA-N -1 1 243.303 0.982 20 0 BCADMM CCN(CC)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829654003 587507510 /nfs/dbraw/zinc/50/75/10/587507510.db2.gz OEBVYNCDJSUFFO-GFCCVEGCSA-N -1 1 242.319 0.698 20 0 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C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)C(C)(F)F ZINC000815495083 586686591 /nfs/dbraw/zinc/68/65/91/586686591.db2.gz UNLCWHQNBAFQGF-RXMQYKEDSA-N -1 1 249.217 0.443 20 0 BCADMM O=C([N-]OCC(F)F)[C@H]1CCc2nncn2C1 ZINC000816105632 586709135 /nfs/dbraw/zinc/70/91/35/586709135.db2.gz MMFNHWWYZZEJGO-LURJTMIESA-N -1 1 246.217 0.153 20 0 BCADMM O=C(C(F)F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000816498944 586737023 /nfs/dbraw/zinc/73/70/23/586737023.db2.gz XKADZWRLKKWJDB-YFKPBYRVSA-N -1 1 247.201 0.746 20 0 BCADMM CC[C@H](C(=O)OC)N1CC[C@H](C(=O)[O-])C1 ZINC000818132090 586876122 /nfs/dbraw/zinc/87/61/22/586876122.db2.gz AFKAFELEJRBXQD-JGVFFNPUSA-N -1 1 215.249 0.345 20 0 BCADMM Cc1nnc([C@H](C)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000819036087 586926379 /nfs/dbraw/zinc/92/63/79/586926379.db2.gz RXHQQALVBBLKTM-XPUUQOCRSA-N -1 1 225.248 0.846 20 0 BCADMM Cn1cccc1C(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000819072118 586928867 /nfs/dbraw/zinc/92/88/67/586928867.db2.gz DTSUVUUYRPGVMX-VIFPVBQESA-N -1 1 236.271 0.614 20 0 BCADMM O=C([O-])C[C@@H]1CCC[N@@H+](CN2CCCC2=O)C1 ZINC000819380140 586959141 /nfs/dbraw/zinc/95/91/41/586959141.db2.gz IAHUZAOKTGJKMJ-JTQLQIEISA-N -1 1 240.303 0.753 20 0 BCADMM O=C([O-])C[C@@H]1CCCN(CN2CCCC2=O)C1 ZINC000819380140 586959144 /nfs/dbraw/zinc/95/91/44/586959144.db2.gz IAHUZAOKTGJKMJ-JTQLQIEISA-N -1 1 240.303 0.753 20 0 BCADMM CC(=O)N1CCN(CCCCC(=O)[O-])[C@H](C)C1 ZINC000819737211 586989618 /nfs/dbraw/zinc/98/96/18/586989618.db2.gz IKRBERYMKJGIIF-SNVBAGLBSA-N -1 1 242.319 0.794 20 0 BCADMM O=C(O[C@H]1CNOC1)c1ccc([O-])cc1F ZINC000819755689 586990439 /nfs/dbraw/zinc/99/04/39/586990439.db2.gz LHTBWNVMKUDCHN-ZETCQYMHSA-N -1 1 227.191 0.592 20 0 BCADMM Cc1[nH]nc(C(=O)NC2=NC[C@@H](C)S2)c1[O-] ZINC000819778270 586992929 /nfs/dbraw/zinc/99/29/29/586992929.db2.gz YWKJWKJPPIVZGO-SCSAIBSYSA-N -1 1 240.288 0.645 20 0 BCADMM CC(C)=CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820005150 587013105 /nfs/dbraw/zinc/01/31/05/587013105.db2.gz KRHWRXHBWMTWQZ-UHFFFAOYSA-N -1 1 233.235 0.252 20 0 BCADMM C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000820122642 587023329 /nfs/dbraw/zinc/02/33/29/587023329.db2.gz ZMJZOBPHVUHVHI-HTQZYQBOSA-N -1 1 246.332 0.013 20 0 BCADMM CN(CC(=O)[O-])Cc1cn2cccc(F)c2n1 ZINC000820569157 587055167 /nfs/dbraw/zinc/05/51/67/587055167.db2.gz NALQLHANLXLFGV-UHFFFAOYSA-N -1 1 237.234 0.990 20 0 BCADMM CN1CCC[C@@H]1C(=O)NCCCCC(=O)[O-] ZINC000820620370 587059838 /nfs/dbraw/zinc/05/98/38/587059838.db2.gz LJHVUJXITOKBQU-SECBINFHSA-N -1 1 228.292 0.452 20 0 BCADMM C[C@@H]1C[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820667883 587064896 /nfs/dbraw/zinc/06/48/96/587064896.db2.gz OPORNBVEWQHRGD-UHNVWZDZSA-N -1 1 233.235 0.184 20 0 BCADMM C[C@@H]1C[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820667883 587064898 /nfs/dbraw/zinc/06/48/98/587064898.db2.gz OPORNBVEWQHRGD-UHNVWZDZSA-N -1 1 233.235 0.184 20 0 BCADMM Cc1cc(O)c(C(=O)O[C@H](C)C(=O)[O-])cn1 ZINC000820949236 587084016 /nfs/dbraw/zinc/08/40/16/587084016.db2.gz HXJKIIMRCSUSMH-ZCFIWIBFSA-N -1 1 225.200 0.313 20 0 BCADMM COc1cnc(C=Cc2cnnn2C)[n-]c1=O ZINC000821008269 587088182 /nfs/dbraw/zinc/08/81/82/587088182.db2.gz ONYHOKNPFJAGIS-ONEGZZNKSA-N -1 1 233.231 0.490 20 0 BCADMM O=C(CCCc1nn[n-]n1)NN1CCCCC1 ZINC000821344329 587109752 /nfs/dbraw/zinc/10/97/52/587109752.db2.gz QMLYFTKBVLPNKR-UHFFFAOYSA-N -1 1 238.295 0.040 20 0 BCADMM CONC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821697615 587134902 /nfs/dbraw/zinc/13/49/02/587134902.db2.gz IIIXMNLOWRDWIA-UHFFFAOYSA-N -1 1 225.233 0.219 20 0 BCADMM CONC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821697615 587134903 /nfs/dbraw/zinc/13/49/03/587134903.db2.gz IIIXMNLOWRDWIA-UHFFFAOYSA-N -1 1 225.233 0.219 20 0 BCADMM CCc1c[nH]c(CC(=O)[N-]OCC(F)F)n1 ZINC000821939062 587147707 /nfs/dbraw/zinc/14/77/07/587147707.db2.gz XZSPZDULQDLNSA-UHFFFAOYSA-N -1 1 233.218 0.828 20 0 BCADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000822332215 587163105 /nfs/dbraw/zinc/16/31/05/587163105.db2.gz IXQAZJUYNPWKKM-XLPZGREQSA-N -1 1 237.259 0.006 20 0 BCADMM CC(C)C[C@@H]1C[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000822550410 587174976 /nfs/dbraw/zinc/17/49/76/587174976.db2.gz OVQGEPGHNJYJLO-HTQZYQBOSA-N -1 1 239.275 0.252 20 0 BCADMM Cn1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000822684815 587181104 /nfs/dbraw/zinc/18/11/04/587181104.db2.gz KBIOCZOVLLIXCF-UHFFFAOYSA-N -1 1 245.246 0.805 20 0 BCADMM Cn1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000822684815 587181105 /nfs/dbraw/zinc/18/11/05/587181105.db2.gz KBIOCZOVLLIXCF-UHFFFAOYSA-N -1 1 245.246 0.805 20 0 BCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1CCC1 ZINC000822904397 587192797 /nfs/dbraw/zinc/19/27/97/587192797.db2.gz XMMDOXIOBSWNLL-UHFFFAOYSA-N -1 1 247.262 0.476 20 0 BCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CC1 ZINC000823289171 587213833 /nfs/dbraw/zinc/21/38/33/587213833.db2.gz FCBZUSGPYBZCLS-UHFFFAOYSA-N -1 1 245.242 0.921 20 0 BCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOCC1 ZINC000823748058 587239339 /nfs/dbraw/zinc/23/93/39/587239339.db2.gz OSDCEMKWSZHVHF-UHFFFAOYSA-N -1 1 235.247 0.292 20 0 BCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOCC1 ZINC000823748058 587239341 /nfs/dbraw/zinc/23/93/41/587239341.db2.gz OSDCEMKWSZHVHF-UHFFFAOYSA-N -1 1 235.247 0.292 20 0 BCADMM CC(C)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824257807 587263549 /nfs/dbraw/zinc/26/35/49/587263549.db2.gz VQLBUDIZYQIKQI-UWVGGRQHSA-N -1 1 230.308 0.999 20 0 BCADMM CC(C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824304847 587265675 /nfs/dbraw/zinc/26/56/75/587265675.db2.gz GCBXJLVVZAMWFQ-UHFFFAOYSA-N -1 1 205.225 0.477 20 0 BCADMM CC(C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824304847 587265676 /nfs/dbraw/zinc/26/56/76/587265676.db2.gz GCBXJLVVZAMWFQ-UHFFFAOYSA-N -1 1 205.225 0.477 20 0 BCADMM CC(C)OCCn1ccnc1-c1nnn[n-]1 ZINC000824315210 587265933 /nfs/dbraw/zinc/26/59/33/587265933.db2.gz NCBGJPZCLWVYNH-UHFFFAOYSA-N -1 1 222.252 0.488 20 0 BCADMM CC(C)OCCn1ccnc1-c1nn[n-]n1 ZINC000824315210 587265934 /nfs/dbraw/zinc/26/59/34/587265934.db2.gz NCBGJPZCLWVYNH-UHFFFAOYSA-N -1 1 222.252 0.488 20 0 BCADMM C[C@@H](CCCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824401999 587269620 /nfs/dbraw/zinc/26/96/20/587269620.db2.gz STSYXMYCWGFKCM-ZETCQYMHSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@@H](CCCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824401999 587269621 /nfs/dbraw/zinc/26/96/21/587269621.db2.gz STSYXMYCWGFKCM-ZETCQYMHSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)CO ZINC000824436259 587270482 /nfs/dbraw/zinc/27/04/82/587270482.db2.gz RIHKDOSQMIMMNM-RNFRBKRXSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)CO ZINC000824436259 587270483 /nfs/dbraw/zinc/27/04/83/587270483.db2.gz RIHKDOSQMIMMNM-RNFRBKRXSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)O ZINC000824647700 587280658 /nfs/dbraw/zinc/28/06/58/587280658.db2.gz BSGMHGXFOXQSKL-LURJTMIESA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)O ZINC000824647700 587280659 /nfs/dbraw/zinc/28/06/59/587280659.db2.gz BSGMHGXFOXQSKL-LURJTMIESA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC000824663031 587282026 /nfs/dbraw/zinc/28/20/26/587282026.db2.gz UXOJQQJXXYHSLO-ZETCQYMHSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC000824663031 587282028 /nfs/dbraw/zinc/28/20/28/587282028.db2.gz UXOJQQJXXYHSLO-ZETCQYMHSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824698845 587283652 /nfs/dbraw/zinc/28/36/52/587283652.db2.gz OTBIZWUREUHSLN-RNFRBKRXSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824698845 587283653 /nfs/dbraw/zinc/28/36/53/587283653.db2.gz OTBIZWUREUHSLN-RNFRBKRXSA-N -1 1 249.278 0.228 20 0 BCADMM CC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000824859938 587290673 /nfs/dbraw/zinc/29/06/73/587290673.db2.gz SBNHSBDTZBSBHD-UHFFFAOYSA-N -1 1 243.274 0.813 20 0 BCADMM CC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000824859938 587290674 /nfs/dbraw/zinc/29/06/74/587290674.db2.gz SBNHSBDTZBSBHD-UHFFFAOYSA-N -1 1 243.274 0.813 20 0 BCADMM C[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824901545 587292297 /nfs/dbraw/zinc/29/22/97/587292297.db2.gz ZAFOKENXYNDLCQ-FSPLSTOPSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824901545 587292298 /nfs/dbraw/zinc/29/22/98/587292298.db2.gz ZAFOKENXYNDLCQ-FSPLSTOPSA-N -1 1 217.236 0.477 20 0 BCADMM C[C@@](CNC(=O)[O-])(NCc1ncc[nH]1)C1CC1 ZINC000824953361 587294399 /nfs/dbraw/zinc/29/43/99/587294399.db2.gz VNASAUONQIECMU-NSHDSACASA-N -1 1 238.291 0.936 20 0 BCADMM C[C@](CNC(=O)[O-])(NCc1ncc[nH]1)C1CC1 ZINC000824953360 587294791 /nfs/dbraw/zinc/29/47/91/587294791.db2.gz VNASAUONQIECMU-LLVKDONJSA-N -1 1 238.291 0.936 20 0 BCADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC000824961085 587295086 /nfs/dbraw/zinc/29/50/86/587295086.db2.gz BBSFGEQQQOZILY-YUMQZZPRSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC000824961085 587295087 /nfs/dbraw/zinc/29/50/87/587295087.db2.gz BBSFGEQQQOZILY-YUMQZZPRSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1OCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825020896 587299037 /nfs/dbraw/zinc/29/90/37/587299037.db2.gz NEEFDECWGAAGRL-YUMQZZPRSA-N -1 1 246.274 0.851 20 0 BCADMM C[C@@H]1OCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825020896 587299038 /nfs/dbraw/zinc/29/90/38/587299038.db2.gz NEEFDECWGAAGRL-YUMQZZPRSA-N -1 1 246.274 0.851 20 0 BCADMM CC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825067359 587302581 /nfs/dbraw/zinc/30/25/81/587302581.db2.gz JTTULVUIBPIVEX-SSDOTTSWSA-N -1 1 233.279 0.891 20 0 BCADMM CC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825067359 587302582 /nfs/dbraw/zinc/30/25/82/587302582.db2.gz JTTULVUIBPIVEX-SSDOTTSWSA-N -1 1 233.279 0.891 20 0 BCADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC2CC2)CCO1 ZINC000825351771 587316774 /nfs/dbraw/zinc/31/67/74/587316774.db2.gz PUTXAXABOZMRDK-SCZZXKLOSA-N -1 1 228.292 0.753 20 0 BCADMM C/C(=C\CN(C)Cc1cn[nH]c1)C(=O)[O-] ZINC000825729381 587333904 /nfs/dbraw/zinc/33/39/04/587333904.db2.gz DRGRKKGWMQFPOD-FPYGCLRLSA-N -1 1 209.249 0.872 20 0 BCADMM CC1(C)CN(C(=O)[O-])CCN1CCO ZINC000825728800 587334307 /nfs/dbraw/zinc/33/43/07/587334307.db2.gz ASMWSOAPZVOIEP-UHFFFAOYSA-N -1 1 202.254 0.053 20 0 BCADMM CCc1nc(Cn2ccnc2-c2nnn[n-]2)no1 ZINC000825750787 587337168 /nfs/dbraw/zinc/33/71/68/587337168.db2.gz XMMZSZQXCKXQNG-UHFFFAOYSA-N -1 1 246.234 0.057 20 0 BCADMM CCc1nc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC000825750787 587337169 /nfs/dbraw/zinc/33/71/69/587337169.db2.gz XMMZSZQXCKXQNG-UHFFFAOYSA-N -1 1 246.234 0.057 20 0 BCADMM CN(CC(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901131 587344689 /nfs/dbraw/zinc/34/46/89/587344689.db2.gz BBVJULKRTKALLC-UHFFFAOYSA-N -1 1 241.205 0.358 20 0 BCADMM CN(CC(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901131 587344691 /nfs/dbraw/zinc/34/46/91/587344691.db2.gz BBVJULKRTKALLC-UHFFFAOYSA-N -1 1 241.205 0.358 20 0 BCADMM CN(CC1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825908887 587345686 /nfs/dbraw/zinc/34/56/86/587345686.db2.gz NWVOYSBFGHTTIW-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM CN(CC1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825908887 587345687 /nfs/dbraw/zinc/34/56/87/587345687.db2.gz NWVOYSBFGHTTIW-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM C[N@@H+](CCO)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825941679 587346487 /nfs/dbraw/zinc/34/64/87/587346487.db2.gz MYEKDIPTLCHLNN-UHFFFAOYSA-N -1 1 239.304 0.352 20 0 BCADMM CN(CCO)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825941679 587346488 /nfs/dbraw/zinc/34/64/88/587346488.db2.gz MYEKDIPTLCHLNN-UHFFFAOYSA-N -1 1 239.304 0.352 20 0 BCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826004028 587348101 /nfs/dbraw/zinc/34/81/01/587348101.db2.gz FKFOSRZDNMZNPA-UHFFFAOYSA-N -1 1 217.236 0.255 20 0 BCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826004028 587348102 /nfs/dbraw/zinc/34/81/02/587348102.db2.gz FKFOSRZDNMZNPA-UHFFFAOYSA-N -1 1 217.236 0.255 20 0 BCADMM C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C)N(C)C ZINC000826026184 587348837 /nfs/dbraw/zinc/34/88/37/587348837.db2.gz JSGCEQUCKUIFIY-BDAKNGLRSA-N -1 1 243.307 0.147 20 0 BCADMM C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C)N(C)C ZINC000826026185 587348854 /nfs/dbraw/zinc/34/88/54/587348854.db2.gz JSGCEQUCKUIFIY-IUCAKERBSA-N -1 1 243.307 0.147 20 0 BCADMM Cc1cc(Cn2ccnc2-c2nnn[n-]2)nn1C ZINC000826268293 587351570 /nfs/dbraw/zinc/35/15/70/587351570.db2.gz RSTXIXXUBGKZOR-UHFFFAOYSA-N -1 1 244.262 0.153 20 0 BCADMM Cc1cc(Cn2ccnc2-c2nn[n-]n2)nn1C ZINC000826268293 587351571 /nfs/dbraw/zinc/35/15/71/587351571.db2.gz RSTXIXXUBGKZOR-UHFFFAOYSA-N -1 1 244.262 0.153 20 0 BCADMM C[Si](C)(C)Cn1ccnc1-c1nnn[n-]1 ZINC000826232853 587351784 /nfs/dbraw/zinc/35/17/84/587351784.db2.gz KWHJBEZCBJHXRE-UHFFFAOYSA-N -1 1 222.328 0.941 20 0 BCADMM C[Si](C)(C)Cn1ccnc1-c1nn[n-]n1 ZINC000826232853 587351785 /nfs/dbraw/zinc/35/17/85/587351785.db2.gz KWHJBEZCBJHXRE-UHFFFAOYSA-N -1 1 222.328 0.941 20 0 BCADMM Cc1cccc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826298315 587352323 /nfs/dbraw/zinc/35/23/23/587352323.db2.gz NLOMAPZHCCQFRO-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM Cc1cccc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826298315 587352324 /nfs/dbraw/zinc/35/23/24/587352324.db2.gz NLOMAPZHCCQFRO-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM c1n[nH]cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826517829 587353642 /nfs/dbraw/zinc/35/36/42/587353642.db2.gz QFXGXLAEFJLPFB-UHFFFAOYSA-N -1 1 228.219 0.728 20 0 BCADMM c1n[nH]cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517829 587353643 /nfs/dbraw/zinc/35/36/43/587353643.db2.gz QFXGXLAEFJLPFB-UHFFFAOYSA-N -1 1 228.219 0.728 20 0 BCADMM c1cc(N2CCCCC2)nnc1-c1nnn[n-]1 ZINC000826517229 587353950 /nfs/dbraw/zinc/35/39/50/587353950.db2.gz VRKWDFIJXPFRSX-UHFFFAOYSA-N -1 1 231.263 0.647 20 0 BCADMM c1cc(N2CCCCC2)nnc1-c1nn[n-]n1 ZINC000826517229 587353951 /nfs/dbraw/zinc/35/39/51/587353951.db2.gz VRKWDFIJXPFRSX-UHFFFAOYSA-N -1 1 231.263 0.647 20 0 BCADMM c1cncc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526171 587354100 /nfs/dbraw/zinc/35/41/00/587354100.db2.gz NVBMUVMDYTWXON-UHFFFAOYSA-N -1 1 241.214 0.844 20 0 BCADMM c1cncc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526171 587354101 /nfs/dbraw/zinc/35/41/01/587354101.db2.gz NVBMUVMDYTWXON-UHFFFAOYSA-N -1 1 241.214 0.844 20 0 BCADMM CC(C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000826651573 587357868 /nfs/dbraw/zinc/35/78/68/587357868.db2.gz INPPAUORIGNXMO-SNVBAGLBSA-N -1 1 242.319 0.650 20 0 BCADMM CC(C)[C@H](OC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000826723496 587359932 /nfs/dbraw/zinc/35/99/32/587359932.db2.gz UYHUXKZSALSACP-VIFPVBQESA-N -1 1 241.247 0.390 20 0 BCADMM CC(C)[C@H](OC(=O)CCc1ncn[nH]1)C(=O)[O-] ZINC000826723496 587359933 /nfs/dbraw/zinc/35/99/33/587359933.db2.gz UYHUXKZSALSACP-VIFPVBQESA-N -1 1 241.247 0.390 20 0 BCADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN(C)C ZINC000826781281 587362138 /nfs/dbraw/zinc/36/21/38/587362138.db2.gz MRLYWLIPKRSJDJ-VIFPVBQESA-N -1 1 245.323 0.491 20 0 BCADMM CC(C)OCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000827027315 587368339 /nfs/dbraw/zinc/36/83/39/587368339.db2.gz ICYDHIPTXZPOTM-SNVBAGLBSA-N -1 1 219.256 0.910 20 0 BCADMM CCOC(=O)/C=C/CN(C)[C@@H](C)CNC(=O)[O-] ZINC000827300982 587376049 /nfs/dbraw/zinc/37/60/49/587376049.db2.gz ZKHXNICTBANXCN-CYNONHLPSA-N -1 1 244.291 0.694 20 0 BCADMM CCOC(=O)/C=C\CN(C)[C@H](C)CNC(=O)[O-] ZINC000827300983 587376105 /nfs/dbraw/zinc/37/61/05/587376105.db2.gz ZKHXNICTBANXCN-SSJHQANKSA-N -1 1 244.291 0.694 20 0 BCADMM C[C@@H](CN(C)C(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000827437163 587381272 /nfs/dbraw/zinc/38/12/72/587381272.db2.gz SMKZWJGPIUCZRT-YUMQZZPRSA-N -1 1 216.281 0.116 20 0 BCADMM C[C@](NCC(=O)NCC1CC1)(C(=O)[O-])C1CC1 ZINC000827728540 587399845 /nfs/dbraw/zinc/39/98/45/587399845.db2.gz SEVUPEASHPXKST-GFCCVEGCSA-N -1 1 240.303 0.356 20 0 BCADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cnc[nH]2)C1 ZINC000827876057 587407078 /nfs/dbraw/zinc/40/70/78/587407078.db2.gz OQRULPPKEXCFBF-SSDOTTSWSA-N -1 1 238.247 0.234 20 0 BCADMM CN(C)CC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000828011144 587416465 /nfs/dbraw/zinc/41/64/65/587416465.db2.gz XVASOURLDJVGCR-UHFFFAOYSA-N -1 1 245.323 0.300 20 0 BCADMM CN(Cc1cnn(C)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828411813 587440764 /nfs/dbraw/zinc/44/07/64/587440764.db2.gz VEZJRPNECJCWSB-JTQLQIEISA-N -1 1 238.291 0.604 20 0 BCADMM COCC[C@H](C)N1CCN(C(=O)[O-])CC1 ZINC000828935010 587473308 /nfs/dbraw/zinc/47/33/08/587473308.db2.gz ZDBPPIRKPZYPIT-VIFPVBQESA-N -1 1 216.281 0.707 20 0 BCADMM CC[C@@H]1CC(=O)N(CN(CC)CCC(=O)[O-])C1 ZINC000829074351 587481878 /nfs/dbraw/zinc/48/18/78/587481878.db2.gz CXRNIYUZRNLJPG-SNVBAGLBSA-N -1 1 242.319 0.999 20 0 BCADMM O=C(OCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC000738221619 598824527 /nfs/dbraw/zinc/82/45/27/598824527.db2.gz LKMHDPGDQFNUIJ-UHFFFAOYSA-N -1 1 237.194 0.388 20 0 BCADMM O=C(OCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC000738221619 598824528 /nfs/dbraw/zinc/82/45/28/598824528.db2.gz LKMHDPGDQFNUIJ-UHFFFAOYSA-N -1 1 237.194 0.388 20 0 BCADMM C[C@@H](C(=O)NC(C)(C)CNC(=O)[O-])N(C)C ZINC000829782928 587515814 /nfs/dbraw/zinc/51/58/14/587515814.db2.gz CJSCPEGJSXNVRD-ZETCQYMHSA-N -1 1 231.296 0.099 20 0 BCADMM C[C@@H](C(=O)N1CCC(NC(=O)[O-])CC1)N(C)C ZINC000829783102 587515901 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C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H](C)CN1C ZINC000833618045 587725340 /nfs/dbraw/zinc/72/53/40/587725340.db2.gz KCQKLQZQXHAHCO-UTINFBMNSA-N -1 1 240.303 0.258 20 0 BCADMM CCS(=O)(=O)CCN(C)[C@H](C(=O)[O-])C1CC1 ZINC000833666540 587727319 /nfs/dbraw/zinc/72/73/19/587727319.db2.gz YRYDJWVUWRQSLG-VIFPVBQESA-N -1 1 249.332 0.216 20 0 BCADMM CCC[N@@H+](C)CC(=O)[N-]OC[C@@H](C)NC(=O)[O-] ZINC000833854169 587735927 /nfs/dbraw/zinc/73/59/27/587735927.db2.gz ULUCFRHDTFULTK-MRVPVSSYSA-N -1 1 247.295 0.032 20 0 BCADMM Cn1ccc(CNC[C@H]2CCCN2C(=O)[O-])n1 ZINC000833952219 587739510 /nfs/dbraw/zinc/73/95/10/587739510.db2.gz CPZQDELFASEPJU-SNVBAGLBSA-N -1 1 238.291 0.652 20 0 BCADMM O=C([O-])NC[C@@H]1CCCN(CC2OCCO2)C1 ZINC000834222221 587749277 /nfs/dbraw/zinc/74/92/77/587749277.db2.gz XXBBPLIGZOEFFG-VIFPVBQESA-N -1 1 244.291 0.339 20 0 BCADMM O=C(CCc1nn[n-]n1)NCCC[C@@H]1C=CCC1 ZINC000834316353 587751319 /nfs/dbraw/zinc/75/13/19/587751319.db2.gz BHOIXWAKIOAVCX-SNVBAGLBSA-N -1 1 249.318 0.995 20 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643014609 /nfs/dbraw/zinc/01/46/09/643014609.db2.gz UVBRYYMMKXOFDL-RXMQYKEDSA-N -1 1 240.181 0.075 20 0 BCADMM CCNC(=O)N[N-]C(=O)c1ccncc1Cl ZINC000073053211 643216153 /nfs/dbraw/zinc/21/61/53/643216153.db2.gz DJMNDQFIIHSZEY-UHFFFAOYSA-N -1 1 242.666 0.699 20 0 BCADMM O=C(C1CC=CC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000095128413 643341471 /nfs/dbraw/zinc/34/14/71/643341471.db2.gz NHQYJQHCAGNKJQ-SECBINFHSA-N -1 1 249.274 0.066 20 0 BCADMM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cnc[nH]1 ZINC000084377350 643659556 /nfs/dbraw/zinc/65/95/56/643659556.db2.gz IENSVCJVTZDZCT-ZETCQYMHSA-N -1 1 225.248 0.735 20 0 BCADMM CCOCCONC(=O)c1cncc([O-])c1 ZINC000186306879 643676613 /nfs/dbraw/zinc/67/66/13/643676613.db2.gz IJUJVQREJBZGQL-UHFFFAOYSA-N -1 1 226.232 0.485 20 0 BCADMM O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000073538999 643680669 /nfs/dbraw/zinc/68/06/69/643680669.db2.gz SIAHBHXHFBRVHB-RNFRBKRXSA-N -1 1 248.260 0.348 20 0 BCADMM O=C([N-]CC1CC2(C1)OCCO2)C(F)(F)F ZINC000921662121 643706967 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644458846 /nfs/dbraw/zinc/45/88/46/644458846.db2.gz YYISXLCVBUMMPG-BQBZGAKWSA-N -1 1 223.232 0.345 20 0 BCADMM CC(C)(C)SCCCC(=O)[N-]OCC(N)=O ZINC000089462482 644551335 /nfs/dbraw/zinc/55/13/35/644551335.db2.gz AHXTUEPWERIPBT-UHFFFAOYSA-N -1 1 248.348 0.831 20 0 BCADMM CCC[C@@H](C)CC(=O)[N-]OCC(N)=O ZINC000089463423 644552940 /nfs/dbraw/zinc/55/29/40/644552940.db2.gz IDJHAVCVBPNTSZ-SSDOTTSWSA-N -1 1 202.254 0.346 20 0 BCADMM Cc1ccc(CCC(=O)[N-]OCC(N)=O)cc1 ZINC000089465210 644553094 /nfs/dbraw/zinc/55/30/94/644553094.db2.gz FHUSDSHGTVVKMY-UHFFFAOYSA-N -1 1 236.271 0.461 20 0 BCADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(N)=O ZINC000749278744 644591030 /nfs/dbraw/zinc/59/10/30/644591030.db2.gz LJCSHURUODNCOQ-SCSAIBSYSA-N -1 1 245.181 0.701 20 0 BCADMM C[C@@H](C(=O)[N-]OCC1CC1)N1CCSCC1 ZINC000817357231 644975943 /nfs/dbraw/zinc/97/59/43/644975943.db2.gz DQLSOSQEGZDZDL-VIFPVBQESA-N -1 1 244.360 0.882 20 0 BCADMM CCn1[nH]c(C)nc1=NC(=O)c1cncc([O-])c1 ZINC000857551809 645610684 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363480531 /nfs/dbraw/zinc/48/05/31/363480531.db2.gz YCYKOLQMAZVWBP-UHFFFAOYSA-N -1 1 246.274 0.234 20 0 BCADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000582240713 356670963 /nfs/dbraw/zinc/67/09/63/356670963.db2.gz ILIDSNFMXDTBAS-BWZBUEFSSA-N -1 1 215.249 0.502 20 0 BCADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000380369078 356748629 /nfs/dbraw/zinc/74/86/29/356748629.db2.gz QDXOVCNOIKAARU-OCAPTIKFSA-N -1 1 204.229 0.879 20 0 BCADMM CC1(C)CCC[C@H]1C(=O)Nc1nnn[n-]1 ZINC000356841768 356806634 /nfs/dbraw/zinc/80/66/34/356806634.db2.gz IKLWKUHJBRXKMN-LURJTMIESA-N -1 1 209.253 0.965 20 0 BCADMM CC1(C)CCC[C@H]1C(=O)Nc1nn[n-]n1 ZINC000356841768 356806637 /nfs/dbraw/zinc/80/66/37/356806637.db2.gz IKLWKUHJBRXKMN-LURJTMIESA-N -1 1 209.253 0.965 20 0 BCADMM COC(=O)CN(CCC(=O)[O-])C1CCCC1 ZINC000390322957 357090942 /nfs/dbraw/zinc/09/09/42/357090942.db2.gz IUQXVRIVAFUJEH-UHFFFAOYSA-N -1 1 229.276 0.879 20 0 BCADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nn[nH]c1C(N)=O ZINC000582472672 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/nfs/dbraw/zinc/76/02/82/384760282.db2.gz JEARWTIVKRKZKZ-UHFFFAOYSA-N -1 1 224.260 0.678 20 0 BCADMM CC(C)[C@]1(C)C[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000185702926 384762526 /nfs/dbraw/zinc/76/25/26/384762526.db2.gz OQBJMFLSZOEWKS-CPCISQLKSA-N -1 1 239.275 0.252 20 0 BCADMM C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC000054333207 384828820 /nfs/dbraw/zinc/82/88/20/384828820.db2.gz NUZAFFWGDIVROG-ZCFIWIBFSA-N -1 1 248.242 0.408 20 0 BCADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H]1O ZINC000388161961 384797735 /nfs/dbraw/zinc/79/77/35/384797735.db2.gz JBWRAKKOSRJEAA-RDDDGLTNSA-N -1 1 239.246 0.984 20 0 BCADMM CNC(=O)CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000147659965 384849157 /nfs/dbraw/zinc/84/91/57/384849157.db2.gz GRNDUFCQSYRJLA-UHFFFAOYSA-N -1 1 240.234 0.349 20 0 BCADMM CO[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC000294562927 384951244 /nfs/dbraw/zinc/95/12/44/384951244.db2.gz MWBMKDPLAZLWAN-SNVBAGLBSA-N -1 1 236.271 0.942 20 0 BCADMM C[C@@H]1[C@H](O)CCCN1C(=O)c1ncccc1[O-] ZINC000296025137 384952495 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/nfs/dbraw/zinc/42/36/77/385423677.db2.gz OYGYVCQNCRPNOD-VIFPVBQESA-N -1 1 240.263 1.000 20 0 BCADMM Cn1ccc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000155941556 385423679 /nfs/dbraw/zinc/42/36/79/385423679.db2.gz OYGYVCQNCRPNOD-VIFPVBQESA-N -1 1 240.263 1.000 20 0 BCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)C(C)C ZINC000281303360 385427480 /nfs/dbraw/zinc/42/74/80/385427480.db2.gz ZFNPZOBLOZBDLW-ZCFIWIBFSA-N -1 1 247.320 0.888 20 0 BCADMM Cc1noc(CCNC(=O)c2ncccc2[O-])n1 ZINC000171284476 385476172 /nfs/dbraw/zinc/47/61/72/385476172.db2.gz UQCZGVSZLZLIAB-UHFFFAOYSA-N -1 1 248.242 0.451 20 0 BCADMM Cc1cc(CC(=O)[N-]OCC(C)C)[nH]n1 ZINC000156597418 385460043 /nfs/dbraw/zinc/46/00/43/385460043.db2.gz JKJCWTHOSVVRSL-UHFFFAOYSA-N -1 1 211.265 0.964 20 0 BCADMM CCC[C@@H](O)CNC(=O)c1cncc([O-])c1 ZINC000157699974 385517219 /nfs/dbraw/zinc/51/72/19/385517219.db2.gz LGHKZIDSFVHZFH-SECBINFHSA-N -1 1 224.260 0.678 20 0 BCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CC2)co1 ZINC000157864301 385529790 /nfs/dbraw/zinc/52/97/90/385529790.db2.gz OEBJHZBGWNGMOV-UHFFFAOYSA-N -1 1 244.272 0.080 20 0 BCADMM O=C(C(=O)N1CCC[C@@H](O)C1)c1ccc([O-])cc1 ZINC000280884488 385614804 /nfs/dbraw/zinc/61/48/04/385614804.db2.gz GHOKLYPMNQMXSD-LLVKDONJSA-N -1 1 249.266 0.558 20 0 BCADMM O=C(c1cncc([O-])c1)N1CC(CCO)C1 ZINC000340008281 385664213 /nfs/dbraw/zinc/66/42/13/385664213.db2.gz UIIWBVNEBRVPBE-UHFFFAOYSA-N -1 1 222.244 0.242 20 0 BCADMM C[C@@H](CO)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000281261921 385649773 /nfs/dbraw/zinc/64/97/73/385649773.db2.gz PAZORDPYEJATIJ-ZETCQYMHSA-N -1 1 223.228 0.072 20 0 BCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccoc1C1CC1 ZINC000281278606 385653376 /nfs/dbraw/zinc/65/33/76/385653376.db2.gz PSYITBDPABJAOA-UHFFFAOYSA-N -1 1 249.226 0.354 20 0 BCADMM COc1cnc(C(=O)[N-]c2cnoc2)nc1 ZINC000645233506 385694161 /nfs/dbraw/zinc/69/41/61/385694161.db2.gz PLTGVLRYLCALFX-UHFFFAOYSA-N -1 1 220.188 0.726 20 0 BCADMM CC(C)(CNC(=O)c1cncc([O-])c1)C(N)=O ZINC000229978800 385696794 /nfs/dbraw/zinc/69/67/94/385696794.db2.gz SQBWQGDTWHNDMV-UHFFFAOYSA-N -1 1 237.259 0.029 20 0 BCADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCNC1=O ZINC000282036731 385727708 /nfs/dbraw/zinc/72/77/08/385727708.db2.gz BGXYLGDGIPBPRD-MRVPVSSYSA-N -1 1 249.270 0.138 20 0 BCADMM CCN(C)S(=O)(=O)[N-]c1cnoc1C ZINC000271034569 385773975 /nfs/dbraw/zinc/77/39/75/385773975.db2.gz FMFKUOVADRZOQC-UHFFFAOYSA-N -1 1 219.266 0.591 20 0 BCADMM O=S(=O)(CCCO)c1ccc([O-])cc1 ZINC000258804291 385778343 /nfs/dbraw/zinc/77/83/43/385778343.db2.gz HOBQZMVLAVFIIT-UHFFFAOYSA-N -1 1 216.258 0.548 20 0 BCADMM C[C@H](CO)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000283005703 385802042 /nfs/dbraw/zinc/80/20/42/385802042.db2.gz PAZORDPYEJATIJ-SSDOTTSWSA-N -1 1 223.228 0.072 20 0 BCADMM C[C@]1(CO)CCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000336737533 385803100 /nfs/dbraw/zinc/80/31/00/385803100.db2.gz JMOJJGPUBCFSRF-GMSGAONNSA-N -1 1 226.280 0.151 20 0 BCADMM CCCc1nc(C)c(CNC(=O)c2cnn[nH]2)o1 ZINC000294121671 385809973 /nfs/dbraw/zinc/80/99/73/385809973.db2.gz JYSHXFZAAVACCA-UHFFFAOYSA-N -1 1 249.274 0.984 20 0 BCADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nnn[n-]1 ZINC000340464985 385858068 /nfs/dbraw/zinc/85/80/68/385858068.db2.gz MNHWESYOCCCYMC-BQBZGAKWSA-N -1 1 225.252 0.343 20 0 BCADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nn[n-]n1 ZINC000340464985 385858070 /nfs/dbraw/zinc/85/80/70/385858070.db2.gz MNHWESYOCCCYMC-BQBZGAKWSA-N -1 1 225.252 0.343 20 0 BCADMM C[N@@H+](Cc1nc(=O)[nH][nH]1)C1Cc2ccccc2C1 ZINC000271650740 385843344 /nfs/dbraw/zinc/84/33/44/385843344.db2.gz UZUICFMATSCNIQ-UHFFFAOYSA-N -1 1 244.298 0.697 20 0 BCADMM COCc1nc(=NCCC2CC(O)C2)s[n-]1 ZINC000336719393 385858922 /nfs/dbraw/zinc/85/89/22/385858922.db2.gz YDMWUQXCTKMRTQ-UHFFFAOYSA-N -1 1 243.332 0.679 20 0 BCADMM CC[C@H](O)CNC(=O)c1cncc([O-])c1 ZINC000123436320 385886752 /nfs/dbraw/zinc/88/67/52/385886752.db2.gz IEDJMBMSJNFVPE-QMMMGPOBSA-N -1 1 210.233 0.288 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@@H]1CCCCC1(F)F ZINC000294742460 385890093 /nfs/dbraw/zinc/89/00/93/385890093.db2.gz CKDMFKIDUBOOCA-YFKPBYRVSA-N -1 1 231.206 0.964 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@@H]1CCCCC1(F)F ZINC000294742460 385890098 /nfs/dbraw/zinc/89/00/98/385890098.db2.gz CKDMFKIDUBOOCA-YFKPBYRVSA-N -1 1 231.206 0.964 20 0 BCADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@](C)(O)C1CC1 ZINC000647816369 385868923 /nfs/dbraw/zinc/86/89/23/385868923.db2.gz HATCVBLKPSMGGO-NSHDSACASA-N -1 1 239.275 0.913 20 0 BCADMM Cc1nsc([N-]C(=O)c2cnn(C)n2)n1 ZINC000284499172 385873522 /nfs/dbraw/zinc/87/35/22/385873522.db2.gz YZWRSUHMMRTWFW-UHFFFAOYSA-N -1 1 224.249 0.227 20 0 BCADMM C[C@H](CO)N(C)C(=O)c1cncc([O-])c1 ZINC000124271114 386004893 /nfs/dbraw/zinc/00/48/93/386004893.db2.gz SPRSNOOQJVOFRJ-SSDOTTSWSA-N -1 1 210.233 0.240 20 0 BCADMM Cc1[nH]ccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000273590656 386013386 /nfs/dbraw/zinc/01/33/86/386013386.db2.gz SMZCJMNMJNSDNV-ZETCQYMHSA-N -1 1 248.290 0.712 20 0 BCADMM Cc1c(C(=O)NCc2nn[n-]n2)ccn1C(C)C ZINC000645388357 386019654 /nfs/dbraw/zinc/01/96/54/386019654.db2.gz HIKYWXORWZSIIY-UHFFFAOYSA-N -1 1 248.290 0.821 20 0 BCADMM C[C@H](CN(C)C(=O)/C=C/C1CC1)c1nn[n-]n1 ZINC000274779165 386148323 /nfs/dbraw/zinc/14/83/23/386148323.db2.gz NRIYKMPGUWLTLK-HQZHTGGTSA-N -1 1 235.291 0.728 20 0 BCADMM O=C(CNc1cccc(F)c1)Nc1nnn[n-]1 ZINC000346175560 386161445 /nfs/dbraw/zinc/16/14/45/386161445.db2.gz APRAVSQAQVBHKS-UHFFFAOYSA-N -1 1 236.210 0.389 20 0 BCADMM O=C(CNc1cccc(F)c1)Nc1nn[n-]n1 ZINC000346175560 386161450 /nfs/dbraw/zinc/16/14/50/386161450.db2.gz APRAVSQAQVBHKS-UHFFFAOYSA-N -1 1 236.210 0.389 20 0 BCADMM CC1(C)C(C(=O)Nc2nnn[n-]2)C1(C)C ZINC000346185514 386163086 /nfs/dbraw/zinc/16/30/86/386163086.db2.gz HHPAPMNMVKJYNB-UHFFFAOYSA-N -1 1 209.253 0.820 20 0 BCADMM CC1(C)C(C(=O)Nc2nn[n-]n2)C1(C)C ZINC000346185514 386163087 /nfs/dbraw/zinc/16/30/87/386163087.db2.gz HHPAPMNMVKJYNB-UHFFFAOYSA-N -1 1 209.253 0.820 20 0 BCADMM COC(=O)[C@H](CF)NC(=O)c1cncc([O-])c1 ZINC000288507362 386210431 /nfs/dbraw/zinc/21/04/31/386210431.db2.gz ZQZXLJNMQVDRST-QMMMGPOBSA-N -1 1 242.206 0.028 20 0 BCADMM CSC[C@@H](C)C(=O)Nc1nnn[n-]1 ZINC000265034731 386299185 /nfs/dbraw/zinc/29/91/85/386299185.db2.gz GWTVRHNOHXSPKX-SCSAIBSYSA-N -1 1 201.255 0.137 20 0 BCADMM CSC[C@@H](C)C(=O)Nc1nn[n-]n1 ZINC000265034731 386299187 /nfs/dbraw/zinc/29/91/87/386299187.db2.gz GWTVRHNOHXSPKX-SCSAIBSYSA-N -1 1 201.255 0.137 20 0 BCADMM O=C(Nc1nn[n-]n1)c1scnc1C1CC1 ZINC000340601825 386344763 /nfs/dbraw/zinc/34/47/63/386344763.db2.gz WOTIXUKBVRJMFZ-UHFFFAOYSA-N -1 1 236.260 0.786 20 0 BCADMM COC1(CC(=O)Nc2nnn[n-]2)CCC1 ZINC000276595061 386351996 /nfs/dbraw/zinc/35/19/96/386351996.db2.gz FBVNOGSWFHQWEF-UHFFFAOYSA-N -1 1 211.225 0.097 20 0 BCADMM COC1(CC(=O)Nc2nn[n-]n2)CCC1 ZINC000276595061 386352002 /nfs/dbraw/zinc/35/20/02/386352002.db2.gz FBVNOGSWFHQWEF-UHFFFAOYSA-N -1 1 211.225 0.097 20 0 BCADMM CC(C)C[N@H+](Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000347388394 386375723 /nfs/dbraw/zinc/37/57/23/386375723.db2.gz CHHXCIASFLBKHG-UHFFFAOYSA-N -1 1 226.324 0.975 20 0 BCADMM C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccccc1 ZINC000347530232 386441793 /nfs/dbraw/zinc/44/17/93/386441793.db2.gz HKWVURUMZQLWEJ-VIFPVBQESA-N -1 1 232.287 0.959 20 0 BCADMM CC[C@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347441689 386404018 /nfs/dbraw/zinc/40/40/18/386404018.db2.gz PQIUAYYCOIUGBD-QMMMGPOBSA-N -1 1 212.297 0.586 20 0 BCADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@@H]2CCCCO2)C1 ZINC000519600650 386506473 /nfs/dbraw/zinc/50/64/73/386506473.db2.gz GRHXHIBKAUUYIJ-AXFHLTTASA-N -1 1 243.303 0.729 20 0 BCADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)[O-])n[nH]1 ZINC000290625124 386462565 /nfs/dbraw/zinc/46/25/65/386462565.db2.gz XIQAAIAPDFOZFT-RITPCOANSA-N -1 1 240.263 0.580 20 0 BCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000262624604 386539090 /nfs/dbraw/zinc/53/90/90/386539090.db2.gz NLSQMTWVOMWSOC-RNFRBKRXSA-N -1 1 246.226 0.617 20 0 BCADMM Cn1cc([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000329326681 386650070 /nfs/dbraw/zinc/65/00/70/386650070.db2.gz UEGDYMYYLNNIEH-MRVPVSSYSA-N -1 1 248.290 0.233 20 0 BCADMM CCC[C@H](NC(=O)c1cncn1C)c1nn[n-]n1 ZINC000292017869 386612210 /nfs/dbraw/zinc/61/22/10/386612210.db2.gz VEEVQNNFJSWGQN-ZETCQYMHSA-N -1 1 249.278 0.204 20 0 BCADMM O=C(c1ccc(Cl)cc1[O-])N1CC(O)C1 ZINC000062808674 386614488 /nfs/dbraw/zinc/61/44/88/386614488.db2.gz CYMMXEZXXUPPLI-UHFFFAOYSA-N -1 1 227.647 0.862 20 0 BCADMM O=C(N[C@@H]1CC[C@H]1O)c1cc(F)ccc1[O-] ZINC000335528164 386672868 /nfs/dbraw/zinc/67/28/68/386672868.db2.gz AIQILGINWWYLJK-PSASIEDQSA-N -1 1 225.219 0.784 20 0 BCADMM C[C@]1(NC(=O)c2cncc([O-])c2)CCOC1=O ZINC000292491464 386680099 /nfs/dbraw/zinc/68/00/99/386680099.db2.gz OIMXTLBGGNPGGV-NSHDSACASA-N -1 1 236.227 0.223 20 0 BCADMM C[C@H](O)C[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000165106429 386658869 /nfs/dbraw/zinc/65/88/69/386658869.db2.gz JRXGXMFJWIHYJT-YUMQZZPRSA-N -1 1 224.260 0.676 20 0 BCADMM CO[C@H](C)[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000292607970 386697818 /nfs/dbraw/zinc/69/78/18/386697818.db2.gz QZCWRIGPYVHDJN-HTQZYQBOSA-N -1 1 224.260 0.940 20 0 BCADMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)C1CC1 ZINC000357039364 386701449 /nfs/dbraw/zinc/70/14/49/386701449.db2.gz BPOCWUZLWFNOQV-ZCFIWIBFSA-N -1 1 221.264 0.351 20 0 BCADMM Cn1[n-]cc2/c(=N\C(=O)[C@@H]3CCOC3)ccnc1-2 ZINC000279608711 386705528 /nfs/dbraw/zinc/70/55/28/386705528.db2.gz GXBWQOXIBHFDNG-CXDTUUPPSA-N -1 1 246.270 0.317 20 0 BCADMM CO[C@H](C)CCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000357094750 386713798 /nfs/dbraw/zinc/71/37/98/386713798.db2.gz IZWDUIMCECKAQQ-SSDOTTSWSA-N -1 1 239.279 0.120 20 0 BCADMM O=C(CC1CC1)NC1(c2nn[n-]n2)CC1 ZINC000357094654 386715694 /nfs/dbraw/zinc/71/56/94/386715694.db2.gz IMTXQSILDMPLKQ-UHFFFAOYSA-N -1 1 207.237 0.105 20 0 BCADMM CO[C@H](C)CS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000330495920 386751432 /nfs/dbraw/zinc/75/14/32/386751432.db2.gz VXWXVRSBTYNMSO-ZCFIWIBFSA-N -1 1 247.320 0.803 20 0 BCADMM C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631638322 386751939 /nfs/dbraw/zinc/75/19/39/386751939.db2.gz ATOQWGAOCFMWJV-UHFFFAOYSA-N -1 1 229.183 0.337 20 0 BCADMM CO[C@H](C(=O)Nc1nnn[n-]1)c1ccccc1 ZINC000357293460 386754684 /nfs/dbraw/zinc/75/46/84/386754684.db2.gz SHFSKQKTSGZDDP-QMMMGPOBSA-N -1 1 233.231 0.526 20 0 BCADMM CO[C@H](C(=O)Nc1nn[n-]n1)c1ccccc1 ZINC000357293460 386754689 /nfs/dbraw/zinc/75/46/89/386754689.db2.gz SHFSKQKTSGZDDP-QMMMGPOBSA-N -1 1 233.231 0.526 20 0 BCADMM CC(C)(NC(=O)c1cncs1)c1nn[n-]n1 ZINC000340731230 386757999 /nfs/dbraw/zinc/75/79/99/386757999.db2.gz BBBLYANTRXRLLK-UHFFFAOYSA-N -1 1 238.276 0.321 20 0 BCADMM C[C@@H](C(=O)NC(C)(C)c1nn[n-]n1)C(C)(F)F ZINC000340741069 386761377 /nfs/dbraw/zinc/76/13/77/386761377.db2.gz NYGHPIFJLGSNNH-YFKPBYRVSA-N -1 1 247.249 0.842 20 0 BCADMM COc1cc(C(=O)NCCO)cc(Cl)c1[O-] ZINC000344894871 386791929 /nfs/dbraw/zinc/79/19/29/386791929.db2.gz DABOISBQYMBEIT-UHFFFAOYSA-N -1 1 245.662 0.776 20 0 BCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1C ZINC000357598624 386811562 /nfs/dbraw/zinc/81/15/62/386811562.db2.gz LPXLGEHXKQABKX-RFZPGFLSSA-N -1 1 239.231 0.035 20 0 BCADMM C[C@@H](CN(C)C(=O)C1(C)CCC1)c1nn[n-]n1 ZINC000330109138 386828633 /nfs/dbraw/zinc/82/86/33/386828633.db2.gz OTPQJLIUGPPCBW-QMMMGPOBSA-N -1 1 237.307 0.952 20 0 BCADMM COC(=O)[C@@H](C)CSCc1nc(=O)n(C)[n-]1 ZINC000330717738 386866090 /nfs/dbraw/zinc/86/60/90/386866090.db2.gz ABSCCAYYEKEQCN-LURJTMIESA-N -1 1 245.304 0.151 20 0 BCADMM COC(=O)C[C@H](C)SCc1nc(=O)n(C)[n-]1 ZINC000330733274 386885654 /nfs/dbraw/zinc/88/56/54/386885654.db2.gz KKXCFLFFOHDPQI-LURJTMIESA-N -1 1 245.304 0.293 20 0 BCADMM CC(=O)[C@H](C)SCc1nc(=O)n(C)[n-]1 ZINC000330828656 386899678 /nfs/dbraw/zinc/89/96/78/386899678.db2.gz GIADSHWJWGCXPC-LURJTMIESA-N -1 1 215.278 0.319 20 0 BCADMM COC(=O)[C@@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000358558385 386978153 /nfs/dbraw/zinc/97/81/53/386978153.db2.gz NSFMYEZFODADJS-SSDOTTSWSA-N -1 1 238.243 0.387 20 0 BCADMM CCCCCS(=O)(=O)c1nnc(COC)[n-]1 ZINC000358555999 386979291 /nfs/dbraw/zinc/97/92/91/386979291.db2.gz GEBNDSCOIKPPNO-UHFFFAOYSA-N -1 1 247.320 0.915 20 0 BCADMM CCCCCS(=O)(=O)c1n[n-]c(COC)n1 ZINC000358555999 386979295 /nfs/dbraw/zinc/97/92/95/386979295.db2.gz GEBNDSCOIKPPNO-UHFFFAOYSA-N -1 1 247.320 0.915 20 0 BCADMM CCc1cc(=O)[n-]c(S[C@@H]2CCNC2=O)n1 ZINC000331218099 386990604 /nfs/dbraw/zinc/99/06/04/386990604.db2.gz GVZBJGVKWFGACZ-SSDOTTSWSA-N -1 1 239.300 0.725 20 0 BCADMM COC[C@@H](C)S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000332525011 386990577 /nfs/dbraw/zinc/99/05/77/386990577.db2.gz UMYPXEHNGGNRTL-RQJHMYQMSA-N -1 1 245.291 0.984 20 0 BCADMM COC[C@H](C)S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000332525003 386991498 /nfs/dbraw/zinc/99/14/98/386991498.db2.gz UMYPXEHNGGNRTL-BQBZGAKWSA-N -1 1 245.291 0.984 20 0 BCADMM CCC[C@H](NC(=O)CC1CC1)c1nn[n-]n1 ZINC000095287693 386991588 /nfs/dbraw/zinc/99/15/88/386991588.db2.gz PHOBOZAOLXMCHN-QMMMGPOBSA-N -1 1 223.280 0.957 20 0 BCADMM C[C@@H]1CN(c2nc(C(=O)[O-])co2)[C@@H](C)CN1C ZINC000514605380 387009862 /nfs/dbraw/zinc/00/98/62/387009862.db2.gz NKTBMGPGYYZMKV-SFYZADRCSA-N -1 1 239.275 0.902 20 0 BCADMM CC[C@@H](C)CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000359298731 387081764 /nfs/dbraw/zinc/08/17/64/387081764.db2.gz FTSTXOZWPHCWHC-SSDOTTSWSA-N -1 1 225.296 0.987 20 0 BCADMM COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000071834787 387124098 /nfs/dbraw/zinc/12/40/98/387124098.db2.gz RVTAAKXXYVWMJC-UHFFFAOYSA-N -1 1 242.300 0.906 20 0 BCADMM C[C@H]1[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)C1(F)F ZINC000359875674 387180984 /nfs/dbraw/zinc/18/09/84/387180984.db2.gz IUAABYRVUPWZFU-WHFBIAKZSA-N -1 1 245.233 0.452 20 0 BCADMM CC(C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352422324 387187464 /nfs/dbraw/zinc/18/74/64/387187464.db2.gz IITYTORMXZLXQX-ZETCQYMHSA-N -1 1 249.274 0.192 20 0 BCADMM CC(C)(C)CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000353523548 387219962 /nfs/dbraw/zinc/21/99/62/387219962.db2.gz PRNQIJCLOANMNO-UHFFFAOYSA-N -1 1 249.274 0.194 20 0 BCADMM CC[C@](C)(OC)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000360265325 387251748 /nfs/dbraw/zinc/25/17/48/387251748.db2.gz HIOGREMJMPNPIM-VIFPVBQESA-N -1 1 239.279 0.120 20 0 BCADMM CC[C@H]1C(=O)NCCN1Cc1ncccc1[O-] ZINC000572323960 387321707 /nfs/dbraw/zinc/32/17/07/387321707.db2.gz BPTGTMXEVXYRLP-JTQLQIEISA-N -1 1 235.287 0.498 20 0 BCADMM Cn1[n-]c(CN2CCCC[C@@H]2C(F)F)nc1=O ZINC000336529845 387352946 /nfs/dbraw/zinc/35/29/46/387352946.db2.gz SKYGGFMIUFWWRO-SSDOTTSWSA-N -1 1 246.261 0.728 20 0 BCADMM CC(C)N(CC(=O)[O-])C(=O)c1ccn[nH]1 ZINC000037993679 387451357 /nfs/dbraw/zinc/45/13/57/387451357.db2.gz XRBJCPLNDLBDKL-UHFFFAOYSA-N -1 1 211.221 0.345 20 0 BCADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)[O-] ZINC000354957474 387454549 /nfs/dbraw/zinc/45/45/49/387454549.db2.gz FPSDCNQUVWXCAR-UHFFFAOYSA-N -1 1 239.275 0.750 20 0 BCADMM Cc1cc(CNC(=O)c2cnn[nH]2)cc(C)n1 ZINC000421917695 387502291 /nfs/dbraw/zinc/50/22/91/387502291.db2.gz KCQCOIRGCFTVOO-UHFFFAOYSA-N -1 1 231.259 0.747 20 0 BCADMM CC(C)(NC(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1nn[n-]n1 ZINC000516147182 387463374 /nfs/dbraw/zinc/46/33/74/387463374.db2.gz QAHMCNOXYATMJX-XHNCKOQMSA-N -1 1 249.318 0.987 20 0 BCADMM O=C(Nc1nnn[n-]1)C1CCSCC1 ZINC000352764834 387467584 /nfs/dbraw/zinc/46/75/84/387467584.db2.gz YAJLVNTWSLYCKH-UHFFFAOYSA-N -1 1 213.266 0.281 20 0 BCADMM O=C(Nc1nn[n-]n1)C1CCSCC1 ZINC000352764834 387467586 /nfs/dbraw/zinc/46/75/86/387467586.db2.gz YAJLVNTWSLYCKH-UHFFFAOYSA-N -1 1 213.266 0.281 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC000356073648 387614209 /nfs/dbraw/zinc/61/42/09/387614209.db2.gz XXQBWVXLBLPIGM-RITPCOANSA-N -1 1 242.304 0.890 20 0 BCADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nnn[n-]2)C1 ZINC000356153293 387622416 /nfs/dbraw/zinc/62/24/16/387622416.db2.gz TXMBCMHPFVMKFD-HTQZYQBOSA-N -1 1 239.279 0.734 20 0 BCADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nn[n-]n2)C1 ZINC000356153293 387622419 /nfs/dbraw/zinc/62/24/19/387622419.db2.gz TXMBCMHPFVMKFD-HTQZYQBOSA-N -1 1 239.279 0.734 20 0 BCADMM O=C(N[C@H](CO)CC(F)F)c1ncccc1[O-] ZINC000430520798 387624096 /nfs/dbraw/zinc/62/40/96/387624096.db2.gz TYESTHVHPQTRBY-LURJTMIESA-N -1 1 246.213 0.533 20 0 BCADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(N)=O ZINC000035149291 387551391 /nfs/dbraw/zinc/55/13/91/387551391.db2.gz CWHZICRNLDBNDP-YFKPBYRVSA-N -1 1 242.662 0.649 20 0 BCADMM O=C(c1ccc(O)cc1[O-])N1CCn2nccc21 ZINC000375565299 387553736 /nfs/dbraw/zinc/55/37/36/387553736.db2.gz MOTVSWGPBXKYPX-UHFFFAOYSA-N -1 1 245.238 0.955 20 0 BCADMM C[C@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC000037434834 387561749 /nfs/dbraw/zinc/56/17/49/387561749.db2.gz HRGDEUKOCRTSGO-YFKPBYRVSA-N -1 1 234.215 0.161 20 0 BCADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1ccco1 ZINC000362961430 387680818 /nfs/dbraw/zinc/68/08/18/387680818.db2.gz GULRSKMVLIGEES-PHDIDXHHSA-N -1 1 219.204 0.535 20 0 BCADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1ccco1 ZINC000362961430 387680822 /nfs/dbraw/zinc/68/08/22/387680822.db2.gz GULRSKMVLIGEES-PHDIDXHHSA-N -1 1 219.204 0.535 20 0 BCADMM CO[N-]C(=O)[C@@H]1COc2ccc(OC)cc2C1 ZINC000126788018 387694016 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/nfs/dbraw/zinc/06/84/84/587068484.db2.gz QCVXKAVBERYQDB-SFYZADRCSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1[C@@H](C)CCN1c1nccnc1-c1nnn[n-]1 ZINC000820727877 587068660 /nfs/dbraw/zinc/06/86/60/587068660.db2.gz QCVXKAVBERYQDB-JGVFFNPUSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1[C@@H](C)CCN1c1nccnc1-c1nn[n-]n1 ZINC000820727877 587068661 /nfs/dbraw/zinc/06/86/61/587068661.db2.gz QCVXKAVBERYQDB-JGVFFNPUSA-N -1 1 245.290 0.891 20 0 BCADMM O=C([O-])CN[C@H](CO)c1c(F)cccc1F ZINC000821533383 587122884 /nfs/dbraw/zinc/12/28/84/587122884.db2.gz KZRKJVBQGSBKHQ-MRVPVSSYSA-N -1 1 231.198 0.672 20 0 BCADMM O=C([O-])CCCCN1CCN2C(=O)OC[C@@H]2C1 ZINC000821516787 587124739 /nfs/dbraw/zinc/12/47/39/587124739.db2.gz YNTMBZWPEUTZGX-VIFPVBQESA-N -1 1 242.275 0.378 20 0 BCADMM C[C@H]1CC[C@H](NC(=O)CCCc2nn[n-]n2)C1 ZINC000822275782 587160360 /nfs/dbraw/zinc/16/03/60/587160360.db2.gz AVLHEHFCGCLGEG-IUCAKERBSA-N -1 1 237.307 0.827 20 0 BCADMM O=C(CCCc1nn[n-]n1)NOc1ccccc1 ZINC000822689478 587181176 /nfs/dbraw/zinc/18/11/76/587181176.db2.gz DEEMLUCRKHFEGW-UHFFFAOYSA-N -1 1 247.258 0.633 20 0 BCADMM CC1(C)CC[C@@H]1NC(=O)CCCc1nn[n-]n1 ZINC000822922657 587193050 /nfs/dbraw/zinc/19/30/50/587193050.db2.gz QERBPURHDQMXRL-QMMMGPOBSA-N -1 1 237.307 0.827 20 0 BCADMM CCc1c[nH]c(CC(=O)[N-]OCC2CC2)n1 ZINC000823145998 587203864 /nfs/dbraw/zinc/20/38/64/587203864.db2.gz UKCSNVXGXLLFHO-UHFFFAOYSA-N -1 1 223.276 0.972 20 0 BCADMM O=C1CCC[C@H]1CCn1cnc(-c2nn[n-]n2)n1 ZINC000823525460 587229493 /nfs/dbraw/zinc/22/94/93/587229493.db2.gz NXKYPZNPXMCZIC-ZETCQYMHSA-N -1 1 247.262 0.218 20 0 BCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCOC1 ZINC000823657758 587235115 /nfs/dbraw/zinc/23/51/15/587235115.db2.gz UGDCOWDPCRJPHP-QMMMGPOBSA-N -1 1 247.258 0.065 20 0 BCADMM OCCCCCCn1cnc(-c2nn[n-]n2)n1 ZINC000823717696 587237713 /nfs/dbraw/zinc/23/77/13/587237713.db2.gz JMQIQLFJTUSJEX-UHFFFAOYSA-N -1 1 237.267 0.011 20 0 BCADMM CC(C)(CO)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824162641 587258792 /nfs/dbraw/zinc/25/87/92/587258792.db2.gz KPJQGVMOBBNRRD-UHFFFAOYSA-N -1 1 249.278 0.087 20 0 BCADMM CC(C)(CO)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824162641 587258793 /nfs/dbraw/zinc/25/87/93/587258793.db2.gz KPJQGVMOBBNRRD-UHFFFAOYSA-N -1 1 249.278 0.087 20 0 BCADMM CC(C)OCCn1cccc(-c2nn[n-]n2)c1=O ZINC000824315475 587265913 /nfs/dbraw/zinc/26/59/13/587265913.db2.gz OPIVGJFFHWUTSY-UHFFFAOYSA-N -1 1 249.274 0.453 20 0 BCADMM C[C@H](C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824378036 587268096 /nfs/dbraw/zinc/26/80/96/587268096.db2.gz WPCSGWAMHAHXBS-SSDOTTSWSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H](C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824378036 587268098 /nfs/dbraw/zinc/26/80/98/587268098.db2.gz WPCSGWAMHAHXBS-SSDOTTSWSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824436257 587270593 /nfs/dbraw/zinc/27/05/93/587270593.db2.gz RIHKDOSQMIMMNM-BQBZGAKWSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824436257 587270594 /nfs/dbraw/zinc/27/05/94/587270594.db2.gz RIHKDOSQMIMMNM-BQBZGAKWSA-N -1 1 249.278 0.086 20 0 BCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000824650006 587280602 /nfs/dbraw/zinc/28/06/02/587280602.db2.gz PAGQSVXZKSJQJL-LURJTMIESA-N -1 1 231.263 0.867 20 0 BCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000824650006 587280603 /nfs/dbraw/zinc/28/06/03/587280603.db2.gz PAGQSVXZKSJQJL-LURJTMIESA-N -1 1 231.263 0.867 20 0 BCADMM C[C@@H](CC(=O)NCc1cnc[nH]1)NC(=O)[O-] ZINC000824657361 587281656 /nfs/dbraw/zinc/28/16/56/587281656.db2.gz XBDMZPLFYRUYSC-LURJTMIESA-N -1 1 226.236 0.072 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824698846 587283320 /nfs/dbraw/zinc/28/33/20/587283320.db2.gz OTBIZWUREUHSLN-RQJHMYQMSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824698846 587283322 /nfs/dbraw/zinc/28/33/22/587283322.db2.gz OTBIZWUREUHSLN-RQJHMYQMSA-N -1 1 249.278 0.228 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@@H]2CC(C)=NO2)n1 ZINC000824782187 587287186 /nfs/dbraw/zinc/28/71/86/587287186.db2.gz GFEMUOJPSVNFFE-YFKPBYRVSA-N -1 1 241.276 0.630 20 0 BCADMM C[C@@H]1C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824901354 587292735 /nfs/dbraw/zinc/29/27/35/587292735.db2.gz YMXOTDOBHSGUIF-RNFRBKRXSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824901354 587292736 /nfs/dbraw/zinc/29/27/36/587292736.db2.gz YMXOTDOBHSGUIF-RNFRBKRXSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824901357 587292780 /nfs/dbraw/zinc/29/27/80/587292780.db2.gz YMXOTDOBHSGUIF-RQJHMYQMSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824901357 587292781 /nfs/dbraw/zinc/29/27/81/587292781.db2.gz YMXOTDOBHSGUIF-RQJHMYQMSA-N -1 1 231.263 0.725 20 0 BCADMM O=C([N-]O[C@H]1CCCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000825026382 587299045 /nfs/dbraw/zinc/29/90/45/587299045.db2.gz HTGLRQKWPHAAPS-QCLAVDOMSA-N -1 1 227.260 0.453 20 0 BCADMM C[C@H]1OCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000825021033 587299178 /nfs/dbraw/zinc/29/91/78/587299178.db2.gz OEDJUSDHDJBOTG-RNFRBKRXSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@H]1OCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000825021033 587299180 /nfs/dbraw/zinc/29/91/80/587299180.db2.gz OEDJUSDHDJBOTG-RNFRBKRXSA-N -1 1 247.262 0.246 20 0 BCADMM CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825248133 587310643 /nfs/dbraw/zinc/31/06/43/587310643.db2.gz OWNKZULJIQUCJN-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825248133 587310645 /nfs/dbraw/zinc/31/06/45/587310645.db2.gz OWNKZULJIQUCJN-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM CCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825307726 587313850 /nfs/dbraw/zinc/31/38/50/587313850.db2.gz NWSVXMSUKRONBG-UHFFFAOYSA-N -1 1 233.279 0.893 20 0 BCADMM CCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825307726 587313852 /nfs/dbraw/zinc/31/38/52/587313852.db2.gz NWSVXMSUKRONBG-UHFFFAOYSA-N -1 1 233.279 0.893 20 0 BCADMM CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825307872 587313931 /nfs/dbraw/zinc/31/39/31/587313931.db2.gz PMIKTHLGSIICQM-UHFFFAOYSA-N -1 1 219.252 0.503 20 0 BCADMM CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825307872 587313933 /nfs/dbraw/zinc/31/39/33/587313933.db2.gz PMIKTHLGSIICQM-UHFFFAOYSA-N -1 1 219.252 0.503 20 0 BCADMM C[C@@H](NCCN(C)C(=O)[O-])c1cnccn1 ZINC000825495616 587321292 /nfs/dbraw/zinc/32/12/92/587321292.db2.gz HTTMZDNFMVNHPN-MRVPVSSYSA-N -1 1 224.264 0.737 20 0 BCADMM CN(C(=O)[C@@]1(C)C=CCC1)c1nn[n-]n1 ZINC000825530579 587323785 /nfs/dbraw/zinc/32/37/85/587323785.db2.gz FFRJMYPZPFUVSM-VIFPVBQESA-N -1 1 207.237 0.519 20 0 BCADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)c1nn[n-]n1 ZINC000825532546 587323963 /nfs/dbraw/zinc/32/39/63/587323963.db2.gz XFWLGSSGXNOMOG-FNCVBFRFSA-N -1 1 235.291 0.845 20 0 BCADMM C/C(=C/CN(C)CCc1noc(C)n1)C(=O)[O-] ZINC000825729612 587334131 /nfs/dbraw/zinc/33/41/31/587334131.db2.gz ICEZVXSMRRMJKB-YWEYNIOJSA-N -1 1 239.275 0.883 20 0 BCADMM C/C(=C\CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000825741265 587335461 /nfs/dbraw/zinc/33/54/61/587335461.db2.gz LEOOKGLUFVIUPC-YCRREMRBSA-N -1 1 241.291 0.104 20 0 BCADMM C/C(=C/COC(=O)Cc1cc(C)[nH]n1)C(=O)[O-] ZINC000825765343 587338351 /nfs/dbraw/zinc/33/83/51/587338351.db2.gz PLENNVAUWYKKJS-CLTKARDFSA-N -1 1 238.243 0.835 20 0 BCADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN(C)C ZINC000825808322 587339579 /nfs/dbraw/zinc/33/95/79/587339579.db2.gz IHSRIRZSIJIYQB-IUCAKERBSA-N -1 1 243.307 0.195 20 0 BCADMM CN(CC(C)(C)O)c1cccc(-c2nnn[n-]2)n1 ZINC000825897389 587344595 /nfs/dbraw/zinc/34/45/95/587344595.db2.gz FHAICRTYSNEEQE-UHFFFAOYSA-N -1 1 248.290 0.469 20 0 BCADMM CN(CC(C)(C)O)c1cccc(-c2nn[n-]n2)n1 ZINC000825897389 587344596 /nfs/dbraw/zinc/34/45/96/587344596.db2.gz FHAICRTYSNEEQE-UHFFFAOYSA-N -1 1 248.290 0.469 20 0 BCADMM CN(CCC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825919287 587345233 /nfs/dbraw/zinc/34/52/33/587345233.db2.gz YBTWLGMWFLEYBE-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM CN(CCC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825919287 587345235 /nfs/dbraw/zinc/34/52/35/587345235.db2.gz YBTWLGMWFLEYBE-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM C[C@H]1CN(CC2(C)COC2)CCN1C(=O)[O-] ZINC000826050158 587350010 /nfs/dbraw/zinc/35/00/10/587350010.db2.gz SOEAETVGIAIDPB-VIFPVBQESA-N -1 1 228.292 0.707 20 0 BCADMM Cc1cc(Cn2ccnc2-c2nnn[n-]2)no1 ZINC000826268066 587351798 /nfs/dbraw/zinc/35/17/98/587351798.db2.gz IRKRHQWENICALE-UHFFFAOYSA-N -1 1 231.219 0.408 20 0 BCADMM Cc1cc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC000826268066 587351799 /nfs/dbraw/zinc/35/17/99/587351799.db2.gz IRKRHQWENICALE-UHFFFAOYSA-N -1 1 231.219 0.408 20 0 BCADMM Cc1nc(Cn2ccnc2-c2nnn[n-]2)oc1C ZINC000826326914 587352081 /nfs/dbraw/zinc/35/20/81/587352081.db2.gz KMMUWUWJQFQXIU-UHFFFAOYSA-N -1 1 245.246 0.716 20 0 BCADMM Cc1nc(Cn2ccnc2-c2nn[n-]n2)oc1C ZINC000826326914 587352082 /nfs/dbraw/zinc/35/20/82/587352082.db2.gz KMMUWUWJQFQXIU-UHFFFAOYSA-N -1 1 245.246 0.716 20 0 BCADMM Cc1ccncc1Cn1ccnc1-c1nnn[n-]1 ZINC000826315641 587352133 /nfs/dbraw/zinc/35/21/33/587352133.db2.gz OXDKMGNDSPNWQB-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM Cc1ccncc1Cn1ccnc1-c1nn[n-]n1 ZINC000826315641 587352134 /nfs/dbraw/zinc/35/21/34/587352134.db2.gz OXDKMGNDSPNWQB-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM Cc1noc(C)c1Cn1ccnc1-c1nnn[n-]1 ZINC000826338589 587352222 /nfs/dbraw/zinc/35/22/22/587352222.db2.gz AMPKNVKNFBMCJV-UHFFFAOYSA-N -1 1 245.246 0.716 20 0 BCADMM Cc1noc(C)c1Cn1ccnc1-c1nn[n-]n1 ZINC000826338589 587352223 /nfs/dbraw/zinc/35/22/23/587352223.db2.gz AMPKNVKNFBMCJV-UHFFFAOYSA-N -1 1 245.246 0.716 20 0 BCADMM OC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826508392 587353222 /nfs/dbraw/zinc/35/32/22/587353222.db2.gz OEMFGXLHCBSOPP-VIFPVBQESA-N -1 1 246.274 0.445 20 0 BCADMM OC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826508392 587353223 /nfs/dbraw/zinc/35/32/23/587353223.db2.gz OEMFGXLHCBSOPP-VIFPVBQESA-N -1 1 246.274 0.445 20 0 BCADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC000826516242 587353604 /nfs/dbraw/zinc/35/36/04/587353604.db2.gz CJHILOQFPNSVOD-UHFFFAOYSA-N -1 1 244.218 0.257 20 0 BCADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC000826516242 587353605 /nfs/dbraw/zinc/35/36/05/587353605.db2.gz CJHILOQFPNSVOD-UHFFFAOYSA-N -1 1 244.218 0.257 20 0 BCADMM CC(C)(CC(=O)[O-])NCc1nnnn1C1CC1 ZINC000826542363 587354471 /nfs/dbraw/zinc/35/44/71/587354471.db2.gz SHRZEQGMFFBDLZ-UHFFFAOYSA-N -1 1 239.279 0.351 20 0 BCADMM CCN(CCNCc1ccc(CO)o1)C(=O)[O-] ZINC000827150855 587371230 /nfs/dbraw/zinc/37/12/30/587371230.db2.gz PCSVQARJUITWOU-UHFFFAOYSA-N -1 1 242.275 0.861 20 0 BCADMM CCNC(=O)CN(C)CC(C)(C)CNC(=O)[O-] ZINC000827242252 587373790 /nfs/dbraw/zinc/37/37/90/587373790.db2.gz NFCLNHUMZINFQL-UHFFFAOYSA-N -1 1 245.323 0.348 20 0 BCADMM C[C@H](CC(=O)[O-])C(=O)N1CCCN(C)CC1 ZINC000827258445 587374540 /nfs/dbraw/zinc/37/45/40/587374540.db2.gz ZRTPIZCUYZYUHP-SECBINFHSA-N -1 1 228.292 0.261 20 0 BCADMM C[C@H](CN(C(=O)[C@H](C)N(C)C)C1CC1)C(=O)[O-] ZINC000827432450 587380842 /nfs/dbraw/zinc/38/08/42/587380842.db2.gz MVFNVBFGKNAWDO-BDAKNGLRSA-N -1 1 242.319 0.648 20 0 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/nfs/dbraw/zinc/28/73/94/587287394.db2.gz GFEMUOJPSVNFFE-RXMQYKEDSA-N -1 1 241.276 0.630 20 0 BCADMM CC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824807168 587288326 /nfs/dbraw/zinc/28/83/26/587288326.db2.gz FXLVPSQRRYQODQ-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM CC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824807168 587288327 /nfs/dbraw/zinc/28/83/27/587288327.db2.gz FXLVPSQRRYQODQ-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824961623 587295034 /nfs/dbraw/zinc/29/50/34/587295034.db2.gz DUNFHEUNKQYEEF-ZETCQYMHSA-N -1 1 231.263 0.503 20 0 BCADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824961623 587295035 /nfs/dbraw/zinc/29/50/35/587295035.db2.gz DUNFHEUNKQYEEF-ZETCQYMHSA-N -1 1 231.263 0.503 20 0 BCADMM C[C@@H]1CCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824962163 587295094 /nfs/dbraw/zinc/29/50/94/587295094.db2.gz PKMURDRJTZGKHR-SSDOTTSWSA-N -1 1 216.248 0.860 20 0 BCADMM C[C@@H]1CCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824962163 587295095 /nfs/dbraw/zinc/29/50/95/587295095.db2.gz PKMURDRJTZGKHR-SSDOTTSWSA-N -1 1 216.248 0.860 20 0 BCADMM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H](C)N(C)C ZINC000824966964 587296124 /nfs/dbraw/zinc/29/61/24/587296124.db2.gz MRTWGUCCHBZXQW-SFYZADRCSA-N -1 1 231.296 0.051 20 0 BCADMM Cc1nc(CC(=O)[N-]O[C@H]2CCCCO2)n[nH]1 ZINC000825025896 587299053 /nfs/dbraw/zinc/29/90/53/587299053.db2.gz BNKNGUWIZXBZQH-JTQLQIEISA-N -1 1 240.263 0.230 20 0 BCADMM CC[C@H](C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825051394 587300403 /nfs/dbraw/zinc/30/04/03/587300403.db2.gz ONNQLGYHYBVDNB-ZETCQYMHSA-N -1 1 234.263 0.678 20 0 BCADMM CC[C@H](C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825051394 587300404 /nfs/dbraw/zinc/30/04/04/587300404.db2.gz ONNQLGYHYBVDNB-ZETCQYMHSA-N -1 1 234.263 0.678 20 0 BCADMM CC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825067361 587302595 /nfs/dbraw/zinc/30/25/95/587302595.db2.gz JTTULVUIBPIVEX-ZETCQYMHSA-N -1 1 233.279 0.891 20 0 BCADMM CC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825067361 587302597 /nfs/dbraw/zinc/30/25/97/587302597.db2.gz JTTULVUIBPIVEX-ZETCQYMHSA-N -1 1 233.279 0.891 20 0 BCADMM CCCCOCCn1ccnc1-c1nnn[n-]1 ZINC000825291624 587313383 /nfs/dbraw/zinc/31/33/83/587313383.db2.gz VRMDGBGJQKPYRV-UHFFFAOYSA-N -1 1 236.279 0.880 20 0 BCADMM CCCCOCCn1ccnc1-c1nn[n-]n1 ZINC000825291624 587313385 /nfs/dbraw/zinc/31/33/85/587313385.db2.gz VRMDGBGJQKPYRV-UHFFFAOYSA-N -1 1 236.279 0.880 20 0 BCADMM CCN(CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825417753 587318752 /nfs/dbraw/zinc/31/87/52/587318752.db2.gz UPQRWDAMAAYUQL-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM CCN(CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825417753 587318754 /nfs/dbraw/zinc/31/87/54/587318754.db2.gz UPQRWDAMAAYUQL-UHFFFAOYSA-N -1 1 245.290 0.893 20 0 BCADMM C[C@@H](C(=O)N(C)c1nn[n-]n1)c1cccc(O)c1 ZINC000825531999 587323713 /nfs/dbraw/zinc/32/37/13/587323713.db2.gz QOLWTVRTSUEAHA-SSDOTTSWSA-N -1 1 247.258 0.672 20 0 BCADMM CN(C(=O)c1cnn(C2CCC2)c1)c1nn[n-]n1 ZINC000825530074 587323889 /nfs/dbraw/zinc/32/38/89/587323889.db2.gz BHSDNKOTHZAWHI-UHFFFAOYSA-N -1 1 247.262 0.398 20 0 BCADMM C/C(=C\CN(C)CCc1noc(C)n1)C(=O)[O-] ZINC000825729611 587333980 /nfs/dbraw/zinc/33/39/80/587333980.db2.gz ICEZVXSMRRMJKB-XBXARRHUSA-N -1 1 239.275 0.883 20 0 BCADMM C/C(=C/CN(C)Cc1nnc[nH]1)C(=O)[O-] ZINC000825730616 587334175 /nfs/dbraw/zinc/33/41/75/587334175.db2.gz ZIBGQDCJTWAHJW-CLTKARDFSA-N -1 1 210.237 0.267 20 0 BCADMM C/C(=C/COC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000825764219 587338058 /nfs/dbraw/zinc/33/80/58/587338058.db2.gz DBDVJISEJXMKJJ-DAXSKMNVSA-N -1 1 239.231 0.311 20 0 BCADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN(C)C ZINC000825808321 587339853 /nfs/dbraw/zinc/33/98/53/587339853.db2.gz IHSRIRZSIJIYQB-DTWKUNHWSA-N -1 1 243.307 0.195 20 0 BCADMM CC(=O)NCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000825875474 587343018 /nfs/dbraw/zinc/34/30/18/587343018.db2.gz AWHMQPFOKUSUQJ-SNVBAGLBSA-N -1 1 232.255 0.011 20 0 BCADMM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H]2CCC[C@@H]21 ZINC000825999472 587348126 /nfs/dbraw/zinc/34/81/26/587348126.db2.gz BLLKKFHSJATHCZ-VGMNWLOBSA-N -1 1 226.276 0.060 20 0 BCADMM COC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826148365 587351063 /nfs/dbraw/zinc/35/10/63/587351063.db2.gz GVQINEMFWHMSEP-ZETCQYMHSA-N -1 1 249.278 0.351 20 0 BCADMM COC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826148365 587351064 /nfs/dbraw/zinc/35/10/64/587351064.db2.gz GVQINEMFWHMSEP-ZETCQYMHSA-N -1 1 249.278 0.351 20 0 BCADMM CSCCCn1ccnc1-c1nnn[n-]1 ZINC000826229035 587351574 /nfs/dbraw/zinc/35/15/74/587351574.db2.gz MHHINIASLVKSAJ-UHFFFAOYSA-N -1 1 224.293 0.816 20 0 BCADMM CSCCCn1ccnc1-c1nn[n-]n1 ZINC000826229035 587351575 /nfs/dbraw/zinc/35/15/75/587351575.db2.gz MHHINIASLVKSAJ-UHFFFAOYSA-N -1 1 224.293 0.816 20 0 BCADMM Cc1ccnc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826309233 587352118 /nfs/dbraw/zinc/35/21/18/587352118.db2.gz INYWMNSULJTECJ-UHFFFAOYSA-N -1 1 242.246 0.210 20 0 BCADMM Cc1ccnc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826309233 587352119 /nfs/dbraw/zinc/35/21/19/587352119.db2.gz INYWMNSULJTECJ-UHFFFAOYSA-N -1 1 242.246 0.210 20 0 BCADMM FC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826370106 587352640 /nfs/dbraw/zinc/35/26/40/587352640.db2.gz DRJJSRMPWJYKHO-UHFFFAOYSA-N -1 1 220.211 0.420 20 0 BCADMM FC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826370106 587352641 /nfs/dbraw/zinc/35/26/41/587352641.db2.gz DRJJSRMPWJYKHO-UHFFFAOYSA-N -1 1 220.211 0.420 20 0 BCADMM FC(F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826369383 587352671 /nfs/dbraw/zinc/35/26/71/587352671.db2.gz AHPSNUMCQRHFBP-UHFFFAOYSA-N -1 1 227.178 0.334 20 0 BCADMM FC(F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826369383 587352672 /nfs/dbraw/zinc/35/26/72/587352672.db2.gz AHPSNUMCQRHFBP-UHFFFAOYSA-N -1 1 227.178 0.334 20 0 BCADMM c1cc(Cn2ccnc2-c2nnn[n-]2)on1 ZINC000826516561 587353434 /nfs/dbraw/zinc/35/34/34/587353434.db2.gz PGKVEYUVHORZGD-UHFFFAOYSA-N -1 1 217.192 0.100 20 0 BCADMM c1cc(Cn2ccnc2-c2nn[n-]n2)on1 ZINC000826516561 587353435 /nfs/dbraw/zinc/35/34/35/587353435.db2.gz PGKVEYUVHORZGD-UHFFFAOYSA-N -1 1 217.192 0.100 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CCCO1 ZINC000826515253 587353566 /nfs/dbraw/zinc/35/35/66/587353566.db2.gz RZFYBLPPFPKWJT-ZETCQYMHSA-N -1 1 247.262 0.248 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CCCO1 ZINC000826515253 587353567 /nfs/dbraw/zinc/35/35/67/587353567.db2.gz RZFYBLPPFPKWJT-ZETCQYMHSA-N -1 1 247.262 0.248 20 0 BCADMM c1cn(C[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC000826525151 587353590 /nfs/dbraw/zinc/35/35/90/587353590.db2.gz YPRNWQOALDMKFH-SSDOTTSWSA-N -1 1 220.236 0.100 20 0 BCADMM c1cn(C[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC000826525151 587353591 /nfs/dbraw/zinc/35/35/91/587353591.db2.gz YPRNWQOALDMKFH-SSDOTTSWSA-N -1 1 220.236 0.100 20 0 BCADMM c1cc(N[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC000826516791 587353681 /nfs/dbraw/zinc/35/36/81/587353681.db2.gz BHIXSSACSXHFKE-ZETCQYMHSA-N -1 1 232.247 0.463 20 0 BCADMM c1cc(N[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC000826516791 587353682 /nfs/dbraw/zinc/35/36/82/587353682.db2.gz BHIXSSACSXHFKE-ZETCQYMHSA-N -1 1 232.247 0.463 20 0 BCADMM c1coc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526406 587354252 /nfs/dbraw/zinc/35/42/52/587354252.db2.gz XLAIYLFHDMOYRD-UHFFFAOYSA-N -1 1 243.230 0.862 20 0 BCADMM c1coc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526406 587354253 /nfs/dbraw/zinc/35/42/53/587354253.db2.gz XLAIYLFHDMOYRD-UHFFFAOYSA-N -1 1 243.230 0.862 20 0 BCADMM CC[C@@H](O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000826625259 587356218 /nfs/dbraw/zinc/35/62/18/587356218.db2.gz CIZMOOUOEJZTQI-DTWKUNHWSA-N -1 1 216.281 0.441 20 0 BCADMM CC[C@H](NC1CN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000826619260 587356786 /nfs/dbraw/zinc/35/67/86/587356786.db2.gz IRJSQUPXOFFIGR-JTQLQIEISA-N -1 1 238.291 0.823 20 0 BCADMM CCC[C@@H](NC(=O)[O-])C(=O)NCc1cnc[nH]1 ZINC000826757976 587361275 /nfs/dbraw/zinc/36/12/75/587361275.db2.gz JXXMVGBDLRWWPA-MRVPVSSYSA-N -1 1 240.263 0.462 20 0 BCADMM CCCn1cc(CNC2CN(C(=O)[O-])C2)cn1 ZINC000826958317 587366889 /nfs/dbraw/zinc/36/68/89/587366889.db2.gz FHWGIKVRXLCGKR-UHFFFAOYSA-N -1 1 238.291 0.745 20 0 BCADMM CC(C)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000827263608 587374473 /nfs/dbraw/zinc/37/44/73/587374473.db2.gz ROINGVATHNIVSS-JTQLQIEISA-N -1 1 242.319 0.650 20 0 BCADMM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1nnc[nH]1 ZINC000827273961 587374839 /nfs/dbraw/zinc/37/48/39/587374839.db2.gz VBWMHNKZZSGDNQ-PHDIDXHHSA-N -1 1 226.236 0.093 20 0 BCADMM CCOC(=O)/C=C/CN(C)[C@H](C)CNC(=O)[O-] ZINC000827300985 587376062 /nfs/dbraw/zinc/37/60/62/587376062.db2.gz ZKHXNICTBANXCN-VUHVRTRXSA-N -1 1 244.291 0.694 20 0 BCADMM CCOCCN(CC)C1CN(C(=O)[O-])C1 ZINC000827399340 587379665 /nfs/dbraw/zinc/37/96/65/587379665.db2.gz DZZDNQVDKBNRQM-UHFFFAOYSA-N -1 1 216.281 0.707 20 0 BCADMM CCn1cc([C@H](C)NC2CN(C(=O)[O-])C2)cn1 ZINC000827699976 587397603 /nfs/dbraw/zinc/39/76/03/587397603.db2.gz GQDZXLAWPCFYFV-QMMMGPOBSA-N -1 1 238.291 0.916 20 0 BCADMM C[C@@](NCC(=O)N1CCC1)(C(=O)[O-])C1CC1 ZINC000827727037 587399785 /nfs/dbraw/zinc/39/97/85/587399785.db2.gz FJBXNOSDSLZOQV-NSHDSACASA-N -1 1 226.276 0.062 20 0 BCADMM CN(C)CC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000828010945 587416334 /nfs/dbraw/zinc/41/63/34/587416334.db2.gz VQQJUFKVBMODBL-UHFFFAOYSA-N -1 1 243.307 0.149 20 0 BCADMM CN(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828011204 587416446 /nfs/dbraw/zinc/41/64/46/587416446.db2.gz ZBYVYRYIPQPSOI-IUCAKERBSA-N -1 1 243.307 0.101 20 0 BCADMM CN(CCCNC(=O)[O-])C(=O)Cc1ccn[nH]1 ZINC000828298660 587432820 /nfs/dbraw/zinc/43/28/20/587432820.db2.gz UGYRIBAYQCZVRO-UHFFFAOYSA-N -1 1 240.263 0.068 20 0 BCADMM C[C@@H]1CN(CN2CCSC2=O)C[C@H]1C(=O)[O-] ZINC000828455734 587443565 /nfs/dbraw/zinc/44/35/65/587443565.db2.gz FPUVRJVLACIVTN-HTQZYQBOSA-N -1 1 244.316 0.765 20 0 BCADMM COC(=O)C1CCN(CCNC(=O)[O-])CC1 ZINC000828642596 587454881 /nfs/dbraw/zinc/45/48/81/587454881.db2.gz VGRAPTTVAMRPKP-UHFFFAOYSA-N -1 1 230.264 0.139 20 0 BCADMM COC[C@H](C)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828896830 587469411 /nfs/dbraw/zinc/46/94/11/587469411.db2.gz LYHZXNISVNFHML-BDAKNGLRSA-N -1 1 216.281 0.705 20 0 BCADMM 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/nfs/dbraw/zinc/23/48/41/587234841.db2.gz ATKMRDBHHJPFTP-IUCAKERBSA-N -1 1 243.307 0.147 20 0 BCADMM c1cc(CNc2cccc(-c3nnn[n-]3)n2)no1 ZINC000823756719 587239657 /nfs/dbraw/zinc/23/96/57/587239657.db2.gz FXFVYUFWICYIFO-UHFFFAOYSA-N -1 1 243.230 0.862 20 0 BCADMM c1cc(CNc2cccc(-c3nn[n-]n3)n2)no1 ZINC000823756719 587239658 /nfs/dbraw/zinc/23/96/58/587239658.db2.gz FXFVYUFWICYIFO-UHFFFAOYSA-N -1 1 243.230 0.862 20 0 BCADMM c1cnc(-c2nnn[n-]2)c(NCCC2CC2)n1 ZINC000823809327 587240930 /nfs/dbraw/zinc/24/09/30/587240930.db2.gz KZWKXAWSBDIBRW-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM c1cnc(-c2nn[n-]n2)c(NCCC2CC2)n1 ZINC000823809327 587240932 /nfs/dbraw/zinc/24/09/32/587240932.db2.gz KZWKXAWSBDIBRW-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM CC(C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824255410 587263223 /nfs/dbraw/zinc/26/32/23/587263223.db2.gz IIYQCZYWBZMNNK-UHFFFAOYSA-N -1 1 233.279 0.749 20 0 BCADMM CC(C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824255410 587263224 /nfs/dbraw/zinc/26/32/24/587263224.db2.gz IIYQCZYWBZMNNK-UHFFFAOYSA-N -1 1 233.279 0.749 20 0 BCADMM C[C@@H](C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824378037 587267989 /nfs/dbraw/zinc/26/79/89/587267989.db2.gz WPCSGWAMHAHXBS-ZETCQYMHSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H](C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824378037 587267990 /nfs/dbraw/zinc/26/79/90/587267990.db2.gz WPCSGWAMHAHXBS-ZETCQYMHSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824405879 587269780 /nfs/dbraw/zinc/26/97/80/587269780.db2.gz ARGIHHKEWNYHDT-ZETCQYMHSA-N -1 1 249.278 0.087 20 0 BCADMM C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824405879 587269781 /nfs/dbraw/zinc/26/97/81/587269781.db2.gz ARGIHHKEWNYHDT-ZETCQYMHSA-N -1 1 249.278 0.087 20 0 BCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)O ZINC000824647701 587280955 /nfs/dbraw/zinc/28/09/55/587280955.db2.gz BSGMHGXFOXQSKL-ZCFIWIBFSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)O ZINC000824647701 587280957 /nfs/dbraw/zinc/28/09/57/587280957.db2.gz BSGMHGXFOXQSKL-ZCFIWIBFSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC000824663027 587281888 /nfs/dbraw/zinc/28/18/88/587281888.db2.gz UXOJQQJXXYHSLO-SSDOTTSWSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC000824663027 587281889 /nfs/dbraw/zinc/28/18/89/587281889.db2.gz UXOJQQJXXYHSLO-SSDOTTSWSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824699736 587283629 /nfs/dbraw/zinc/28/36/29/587283629.db2.gz VBNUZBKDGMEWOU-SFYZADRCSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@H](C[C@H](C)O)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824699736 587283630 /nfs/dbraw/zinc/28/36/30/587283630.db2.gz VBNUZBKDGMEWOU-SFYZADRCSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H]1C[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824874499 587291483 /nfs/dbraw/zinc/29/14/83/587291483.db2.gz DCZSVJRDWKBNDC-HTQZYQBOSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824874499 587291485 /nfs/dbraw/zinc/29/14/85/587291485.db2.gz DCZSVJRDWKBNDC-HTQZYQBOSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824901349 587292789 /nfs/dbraw/zinc/29/27/89/587292789.db2.gz YMXOTDOBHSGUIF-BQBZGAKWSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824901349 587292790 /nfs/dbraw/zinc/29/27/90/587292790.db2.gz YMXOTDOBHSGUIF-BQBZGAKWSA-N -1 1 231.263 0.725 20 0 BCADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824985318 587297041 /nfs/dbraw/zinc/29/70/41/587297041.db2.gz VGKLMOPYKGJJGR-MRVPVSSYSA-N -1 1 249.274 0.680 20 0 BCADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824985318 587297043 /nfs/dbraw/zinc/29/70/43/587297043.db2.gz VGKLMOPYKGJJGR-MRVPVSSYSA-N -1 1 249.274 0.680 20 0 BCADMM Cc1nc(CC(=O)[N-]O[C@@H]2CCCCO2)n[nH]1 ZINC000825025897 587298551 /nfs/dbraw/zinc/29/85/51/587298551.db2.gz BNKNGUWIZXBZQH-SNVBAGLBSA-N -1 1 240.263 0.230 20 0 BCADMM CC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825119905 587305336 /nfs/dbraw/zinc/30/53/36/587305336.db2.gz GCPKMGGXPRZQND-ZETCQYMHSA-N -1 1 249.278 0.494 20 0 BCADMM CC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825119905 587305339 /nfs/dbraw/zinc/30/53/39/587305339.db2.gz GCPKMGGXPRZQND-ZETCQYMHSA-N -1 1 249.278 0.494 20 0 BCADMM CN(C(=O)c1cccc2c1OCC2)c1nn[n-]n1 ZINC000825532431 587323936 /nfs/dbraw/zinc/32/39/36/587323936.db2.gz VXYXLDRSYNOTJG-UHFFFAOYSA-N -1 1 245.242 0.411 20 0 BCADMM C/C(=C\COC(=O)Cc1cc(C)[nH]n1)C(=O)[O-] ZINC000825765347 587338481 /nfs/dbraw/zinc/33/84/81/587338481.db2.gz PLENNVAUWYKKJS-XVNBXDOJSA-N -1 1 238.243 0.835 20 0 BCADMM CCn1ccnc1Cn1ccnc1-c1nn[n-]n1 ZINC000825804433 587339585 /nfs/dbraw/zinc/33/95/85/587339585.db2.gz AQJJLPNGOZRTRO-UHFFFAOYSA-N -1 1 244.262 0.328 20 0 BCADMM C[C@@H]1CN(C(=O)[O-])CCN1CC1(C)COC1 ZINC000826025720 587348847 /nfs/dbraw/zinc/34/88/47/587348847.db2.gz CCXCVONDVRGJNI-SECBINFHSA-N -1 1 228.292 0.707 20 0 BCADMM COCCCCn1ccnc1-c1nnn[n-]1 ZINC000826155862 587351435 /nfs/dbraw/zinc/35/14/35/587351435.db2.gz FLXLDMBRIBLXAO-UHFFFAOYSA-N -1 1 222.252 0.490 20 0 BCADMM COCCCCn1ccnc1-c1nn[n-]n1 ZINC000826155862 587351436 /nfs/dbraw/zinc/35/14/36/587351436.db2.gz FLXLDMBRIBLXAO-UHFFFAOYSA-N -1 1 222.252 0.490 20 0 BCADMM COCCCCn1cccc(-c2nn[n-]n2)c1=O ZINC000826156127 587351725 /nfs/dbraw/zinc/35/17/25/587351725.db2.gz QTPWVKNFYYSNOS-UHFFFAOYSA-N -1 1 249.274 0.455 20 0 BCADMM Cc1cnc(Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000826318734 587352039 /nfs/dbraw/zinc/35/20/39/587352039.db2.gz WYYMDZYAGHGVPC-UHFFFAOYSA-N -1 1 248.275 0.271 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nnn[n-]2)cn1 ZINC000826318299 587352048 /nfs/dbraw/zinc/35/20/48/587352048.db2.gz CMIQMEHAIBZSOC-UHFFFAOYSA-N -1 1 242.246 0.210 20 0 BCADMM Cc1cnc(Cn2ccnc2-c2nn[n-]n2)cn1 ZINC000826318299 587352049 /nfs/dbraw/zinc/35/20/49/587352049.db2.gz CMIQMEHAIBZSOC-UHFFFAOYSA-N -1 1 242.246 0.210 20 0 BCADMM Cc1ccc(Cn2ccnc2-c2nnn[n-]2)nc1 ZINC000826289029 587352233 /nfs/dbraw/zinc/35/22/33/587352233.db2.gz HIYRNJQNQOBFJQ-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM Cc1ccc(Cn2ccnc2-c2nn[n-]n2)nc1 ZINC000826289029 587352234 /nfs/dbraw/zinc/35/22/34/587352234.db2.gz HIYRNJQNQOBFJQ-UHFFFAOYSA-N -1 1 241.258 0.815 20 0 BCADMM c1cn(CC2CCC2)c(-c2nnn[n-]2)n1 ZINC000826524806 587353450 /nfs/dbraw/zinc/35/34/50/587353450.db2.gz KNFBMVIWVJPSLM-UHFFFAOYSA-N -1 1 204.237 0.863 20 0 BCADMM c1cn(CC2CCC2)c(-c2nn[n-]n2)n1 ZINC000826524806 587353451 /nfs/dbraw/zinc/35/34/51/587353451.db2.gz KNFBMVIWVJPSLM-UHFFFAOYSA-N -1 1 204.237 0.863 20 0 BCADMM c1cc(N[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC000826516790 587353742 /nfs/dbraw/zinc/35/37/42/587353742.db2.gz BHIXSSACSXHFKE-SSDOTTSWSA-N -1 1 232.247 0.463 20 0 BCADMM c1cc(N[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC000826516790 587353743 /nfs/dbraw/zinc/35/37/43/587353743.db2.gz BHIXSSACSXHFKE-SSDOTTSWSA-N -1 1 232.247 0.463 20 0 BCADMM c1cn(Cc2ccon2)c(-c2nnn[n-]2)n1 ZINC000826525058 587353784 /nfs/dbraw/zinc/35/37/84/587353784.db2.gz URCHRJBPZSWAHD-UHFFFAOYSA-N -1 1 217.192 0.100 20 0 BCADMM c1cn(Cc2ccon2)c(-c2nn[n-]n2)n1 ZINC000826525058 587353785 /nfs/dbraw/zinc/35/37/85/587353785.db2.gz URCHRJBPZSWAHD-UHFFFAOYSA-N -1 1 217.192 0.100 20 0 BCADMM c1cc(N2C[C@@H]3CCC[C@H]32)nnc1-c1nnn[n-]1 ZINC000826516350 587353980 /nfs/dbraw/zinc/35/39/80/587353980.db2.gz HRSRKNNPALXEQD-IONNQARKSA-N -1 1 243.274 0.645 20 0 BCADMM c1cc(N2C[C@@H]3CCC[C@H]32)nnc1-c1nn[n-]n1 ZINC000826516350 587353981 /nfs/dbraw/zinc/35/39/81/587353981.db2.gz HRSRKNNPALXEQD-IONNQARKSA-N -1 1 243.274 0.645 20 0 BCADMM CCN(C(=O)c1ccn[nH]1)C1CN(C(=O)[O-])C1 ZINC000826980636 587367145 /nfs/dbraw/zinc/36/71/45/587367145.db2.gz XSSLVTHERNTRIC-UHFFFAOYSA-N -1 1 238.247 0.234 20 0 BCADMM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000827517759 587385500 /nfs/dbraw/zinc/38/55/00/587385500.db2.gz CCYYEUKXNSZPKU-WDSKDSINSA-N -1 1 241.251 0.028 20 0 BCADMM C[C@@H]1CN(CCO)C[C@@H](C)N1C(=O)[O-] ZINC000117532159 589102959 /nfs/dbraw/zinc/10/29/59/589102959.db2.gz MUTCHDQQWVRFKS-HTQZYQBOSA-N -1 1 202.254 0.051 20 0 BCADMM CC[C@H](C(=O)OC)N(C)C[C@H](C)C(=O)[O-] ZINC000828604042 587452995 /nfs/dbraw/zinc/45/29/95/587452995.db2.gz TUFPQSVWCYWNLD-JGVFFNPUSA-N -1 1 217.265 0.591 20 0 BCADMM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN1C ZINC000828618658 587453942 /nfs/dbraw/zinc/45/39/42/587453942.db2.gz YDSDVQGKFAJKQW-JOYOIKCWSA-N -1 1 242.319 0.840 20 0 BCADMM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ncn[nH]1 ZINC000828652516 587455570 /nfs/dbraw/zinc/45/55/70/587455570.db2.gz OEJLTHBQGWKYGR-VIFPVBQESA-N -1 1 226.236 0.178 20 0 BCADMM CC[C@@](C)(CC(=O)[O-])NC(=O)c1nc[nH]n1 ZINC000828652516 587455572 /nfs/dbraw/zinc/45/55/72/587455572.db2.gz OEJLTHBQGWKYGR-VIFPVBQESA-N -1 1 226.236 0.178 20 0 BCADMM CC[C@@](C)(NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-] ZINC000828685089 587456920 /nfs/dbraw/zinc/45/69/20/587456920.db2.gz DSTSEEDOCLEJKE-LLVKDONJSA-N -1 1 239.275 0.630 20 0 BCADMM COCc1ccc(CNCCNC(=O)[O-])o1 ZINC000829041198 587480545 /nfs/dbraw/zinc/48/05/45/587480545.db2.gz YFYAKSKBUNFIOX-UHFFFAOYSA-N -1 1 228.248 0.783 20 0 BCADMM CCCCCNC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000829363955 587494407 /nfs/dbraw/zinc/49/44/07/587494407.db2.gz MTNIBJRBHRXXLH-NSHDSACASA-N -1 1 244.335 0.992 20 0 BCADMM C[C@@H]1CN(CCO)C[C@H](C)N1C(=O)[O-] ZINC000117532163 589102996 /nfs/dbraw/zinc/10/29/96/589102996.db2.gz MUTCHDQQWVRFKS-OCAPTIKFSA-N -1 1 202.254 0.051 20 0 BCADMM CCCOC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829519965 587501724 /nfs/dbraw/zinc/50/17/24/587501724.db2.gz XSBLLQMKQQWSKY-LPEHRKFASA-N -1 1 243.303 0.981 20 0 BCADMM CCN(C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829608186 587506010 /nfs/dbraw/zinc/50/60/10/587506010.db2.gz FXZNDOMPARZTJO-NSHDSACASA-N -1 1 228.292 0.308 20 0 BCADMM C[C@@H](C(=O)N(C)CCCNC(=O)[O-])N(C)C ZINC000829783383 587513495 /nfs/dbraw/zinc/51/34/95/587513495.db2.gz KSADVYFFSXECAS-QMMMGPOBSA-N -1 1 231.296 0.053 20 0 BCADMM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[O-])N(C)C ZINC000829783569 587516000 /nfs/dbraw/zinc/51/60/00/587516000.db2.gz LUIJOEMYGMIABC-DTWKUNHWSA-N -1 1 243.307 0.195 20 0 BCADMM C[C@@H](C(=O)N[C@H](CNC(=O)[O-])C1CC1)N(C)C ZINC000829784858 587516345 /nfs/dbraw/zinc/51/63/45/587516345.db2.gz ZNGYZYRDPLXUCK-IONNQARKSA-N -1 1 243.307 0.099 20 0 BCADMM CCOC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829852471 587524380 /nfs/dbraw/zinc/52/43/80/587524380.db2.gz FAYXYDGNJFBGME-JGVFFNPUSA-N -1 1 215.249 0.202 20 0 BCADMM Cc1nnc(NC(=O)C[C@H](C)NC(=O)[O-])[nH]1 ZINC000830769241 587569480 /nfs/dbraw/zinc/56/94/80/587569480.db2.gz GLEAQWPMQOUBAJ-BYPYZUCNSA-N -1 1 227.224 0.098 20 0 BCADMM Cc1n[nH]c(NC(=O)C[C@H](C)NC(=O)[O-])n1 ZINC000830769241 587569482 /nfs/dbraw/zinc/56/94/82/587569482.db2.gz GLEAQWPMQOUBAJ-BYPYZUCNSA-N -1 1 227.224 0.098 20 0 BCADMM CN1CCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000830935216 587578074 /nfs/dbraw/zinc/57/80/74/587578074.db2.gz SMBWGQDKVGPFJX-SECBINFHSA-N -1 1 240.303 0.594 20 0 BCADMM Cn1ccnc1CNCC(C)(C)NC(=O)[O-] ZINC000831036368 587583198 /nfs/dbraw/zinc/58/31/98/587583198.db2.gz JKCWNYRNIIEUMB-UHFFFAOYSA-N -1 1 226.280 0.556 20 0 BCADMM COC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831059062 587584421 /nfs/dbraw/zinc/58/44/21/587584421.db2.gz DHKHSMDFKGQYCE-CSMHCCOUSA-N -1 1 215.249 0.200 20 0 BCADMM Cn1nncc1CNCCN(C(=O)[O-])C1CC1 ZINC000831064529 587585018 /nfs/dbraw/zinc/58/50/18/587585018.db2.gz HTXGYPHMDHGQNR-UHFFFAOYSA-N -1 1 239.279 0.047 20 0 BCADMM CON(C)CCCNC(=O)c1ncccc1[O-] ZINC000824494181 587600005 /nfs/dbraw/zinc/60/00/05/587600005.db2.gz AAHGPRCFWRIEMI-UHFFFAOYSA-N -1 1 239.275 0.400 20 0 BCADMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831425600 587605895 /nfs/dbraw/zinc/60/58/95/587605895.db2.gz IDTJPHPYPJVXJM-RFZPGFLSSA-N -1 1 235.696 0.750 20 0 BCADMM COC[C@@](C)(CC(=O)[O-])NCc1ccno1 ZINC000831584923 587621596 /nfs/dbraw/zinc/62/15/96/587621596.db2.gz ISDIVCJLOWVRQO-SNVBAGLBSA-N -1 1 228.248 0.644 20 0 BCADMM O=C([O-])NCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000832397327 587658037 /nfs/dbraw/zinc/65/80/37/587658037.db2.gz RJYRRPXOCCGTHQ-ZETCQYMHSA-N -1 1 238.247 0.171 20 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/nfs/dbraw/zinc/05/00/50/587050050.db2.gz BANHRMILAFSAOS-WPRPVWTQSA-N -1 1 230.308 0.600 20 0 BCADMM CC[C@H](C)[C@H](NCC(=O)NCC1CC1)C(=O)[O-] ZINC000820459834 587050369 /nfs/dbraw/zinc/05/03/69/587050369.db2.gz ZMQQPJJQXSNORF-KWQFWETISA-N -1 1 242.319 0.602 20 0 BCADMM CN(CC(=O)NCCC(=O)[O-])[C@@H]1CCSC1 ZINC000820562741 587054964 /nfs/dbraw/zinc/05/49/64/587054964.db2.gz UHXWJVHWOFECRT-MRVPVSSYSA-N -1 1 246.332 0.015 20 0 BCADMM COC(=O)[C@H](C1CC1)N(C)CCC(=O)[O-] ZINC000820654064 587062452 /nfs/dbraw/zinc/06/24/52/587062452.db2.gz WABPLNBYNTZNEI-VIFPVBQESA-N -1 1 215.249 0.345 20 0 BCADMM CC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC000820665092 587064038 /nfs/dbraw/zinc/06/40/38/587064038.db2.gz DOEQOLIJVMIKID-UHFFFAOYSA-N -1 1 231.263 0.867 20 0 BCADMM CC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC000820665092 587064040 /nfs/dbraw/zinc/06/40/40/587064040.db2.gz DOEQOLIJVMIKID-UHFFFAOYSA-N -1 1 231.263 0.867 20 0 BCADMM CSC[C@@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000820905941 587080919 /nfs/dbraw/zinc/08/09/19/587080919.db2.gz AHLNFYKOQVGRMH-QMMMGPOBSA-N -1 1 246.332 0.015 20 0 BCADMM Cc1cc(CC(=O)O[C@@H](C)C(=O)[O-])n[nH]1 ZINC000820976896 587086152 /nfs/dbraw/zinc/08/61/52/587086152.db2.gz VJBPCVYECVMKJJ-LURJTMIESA-N -1 1 212.205 0.277 20 0 BCADMM NC(=O)[C@H]1c2ccccc2CCN1CCC(=O)[O-] ZINC000821344959 587109981 /nfs/dbraw/zinc/10/99/81/587109981.db2.gz ADGRLXJTPXMTIN-GFCCVEGCSA-N -1 1 248.282 0.546 20 0 BCADMM O=C([N-]Oc1ccccc1)[C@H]1C[C@@H](O)C1 ZINC000822690666 587181161 /nfs/dbraw/zinc/18/11/61/587181161.db2.gz UPUVUURZEZZRQY-DTORHVGOSA-N -1 1 207.229 0.868 20 0 BCADMM O=C(CCCc1nn[n-]n1)N1C[C@@H](F)[C@@H](F)C1 ZINC000823330550 587216691 /nfs/dbraw/zinc/21/66/91/587216691.db2.gz KYMHWLXKXWNVDO-KNVOCYPGSA-N -1 1 245.233 0.041 20 0 BCADMM CC(C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824206582 587260890 /nfs/dbraw/zinc/26/08/90/587260890.db2.gz FMFHEWHKTDPCPD-QMMMGPOBSA-N -1 1 249.278 0.086 20 0 BCADMM CC(C)[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824206582 587260892 /nfs/dbraw/zinc/26/08/92/587260892.db2.gz FMFHEWHKTDPCPD-QMMMGPOBSA-N -1 1 249.278 0.086 20 0 BCADMM CC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824831502 587289463 /nfs/dbraw/zinc/28/94/63/587289463.db2.gz PATSYURNQACEKY-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM CC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824831502 587289465 /nfs/dbraw/zinc/28/94/65/587289465.db2.gz PATSYURNQACEKY-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824985319 587297238 /nfs/dbraw/zinc/29/72/38/587297238.db2.gz VGKLMOPYKGJJGR-QMMMGPOBSA-N -1 1 249.274 0.680 20 0 BCADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824985319 587297239 /nfs/dbraw/zinc/29/72/39/587297239.db2.gz VGKLMOPYKGJJGR-QMMMGPOBSA-N -1 1 249.274 0.680 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825022571 587299266 /nfs/dbraw/zinc/29/92/66/587299266.db2.gz YKYWBCXIQAKQPS-NKWVEPMBSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825022571 587299270 /nfs/dbraw/zinc/29/92/70/587299270.db2.gz YKYWBCXIQAKQPS-NKWVEPMBSA-N -1 1 247.262 0.246 20 0 BCADMM CCC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825034777 587299537 /nfs/dbraw/zinc/29/95/37/587299537.db2.gz PIKDZCDVZXTWOG-UHFFFAOYSA-N -1 1 206.209 0.042 20 0 BCADMM CCC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825034777 587299538 /nfs/dbraw/zinc/29/95/38/587299538.db2.gz PIKDZCDVZXTWOG-UHFFFAOYSA-N -1 1 206.209 0.042 20 0 BCADMM CC[C@H](COC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825119904 587305697 /nfs/dbraw/zinc/30/56/97/587305697.db2.gz GCPKMGGXPRZQND-SSDOTTSWSA-N -1 1 249.278 0.494 20 0 BCADMM CC[C@H](COC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825119904 587305699 /nfs/dbraw/zinc/30/56/99/587305699.db2.gz GCPKMGGXPRZQND-SSDOTTSWSA-N -1 1 249.278 0.494 20 0 BCADMM C/C(=C/CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000825741264 587335423 /nfs/dbraw/zinc/33/54/23/587335423.db2.gz LEOOKGLUFVIUPC-OQFOIZHKSA-N -1 1 241.291 0.104 20 0 BCADMM C/C(=C\CN1CCc2c(ncn2C)C1)C(=O)[O-] ZINC000825746973 587336362 /nfs/dbraw/zinc/33/63/62/587336362.db2.gz NLICXHOMGBAEIK-YCRREMRBSA-N -1 1 235.287 0.809 20 0 BCADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN(C)C ZINC000825808323 587339841 /nfs/dbraw/zinc/33/98/41/587339841.db2.gz IHSRIRZSIJIYQB-RKDXNWHRSA-N -1 1 243.307 0.195 20 0 BCADMM CC(=O)NCCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000825875473 587343179 /nfs/dbraw/zinc/34/31/79/587343179.db2.gz AWHMQPFOKUSUQJ-JTQLQIEISA-N -1 1 232.255 0.011 20 0 BCADMM C[C@H]1CN(C(=O)[O-])CCN1CCC(C)(C)O ZINC000826027847 587348752 /nfs/dbraw/zinc/34/87/52/587348752.db2.gz XREBYVQSLLMABJ-VIFPVBQESA-N -1 1 230.308 0.832 20 0 BCADMM C[C@H]1CN(CCF)CC[C@H]1NC(=O)[O-] ZINC000826056438 587349773 /nfs/dbraw/zinc/34/97/73/587349773.db2.gz CRVIRMNQMNHHNO-JGVFFNPUSA-N -1 1 204.245 0.934 20 0 BCADMM CON(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826166248 587351543 /nfs/dbraw/zinc/35/15/43/587351543.db2.gz ALFRRBYYLKETPX-UHFFFAOYSA-N -1 1 240.654 0.913 20 0 BCADMM CON(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826166248 587351544 /nfs/dbraw/zinc/35/15/44/587351544.db2.gz ALFRRBYYLKETPX-UHFFFAOYSA-N -1 1 240.654 0.913 20 0 BCADMM Cc1csc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826321143 587352423 /nfs/dbraw/zinc/35/24/23/587352423.db2.gz RXBDDAWLWAAXRR-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM Cc1csc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826321143 587352424 /nfs/dbraw/zinc/35/24/24/587352424.db2.gz RXBDDAWLWAAXRR-UHFFFAOYSA-N -1 1 247.287 0.876 20 0 BCADMM c1cn(C[C@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC000826524870 587353393 /nfs/dbraw/zinc/35/33/93/587353393.db2.gz NNGZVCTUBZRQIN-MRVPVSSYSA-N -1 1 234.263 0.490 20 0 BCADMM c1cn(C[C@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC000826524870 587353394 /nfs/dbraw/zinc/35/33/94/587353394.db2.gz NNGZVCTUBZRQIN-MRVPVSSYSA-N -1 1 234.263 0.490 20 0 BCADMM c1cn(C[C@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC000826524982 587353408 /nfs/dbraw/zinc/35/34/08/587353408.db2.gz QTUTWWPKSHSLMG-MRVPVSSYSA-N -1 1 234.263 0.632 20 0 BCADMM c1cn(C[C@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC000826524982 587353409 /nfs/dbraw/zinc/35/34/09/587353409.db2.gz QTUTWWPKSHSLMG-MRVPVSSYSA-N -1 1 234.263 0.632 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1NCCC1CC1 ZINC000826515459 587353488 /nfs/dbraw/zinc/35/34/88/587353488.db2.gz ZGPYWYYXNBPVML-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1NCCC1CC1 ZINC000826515459 587353489 /nfs/dbraw/zinc/35/34/89/587353489.db2.gz ZGPYWYYXNBPVML-UHFFFAOYSA-N -1 1 231.263 0.869 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1NC1CC1 ZINC000826514587 587353883 /nfs/dbraw/zinc/35/38/83/587353883.db2.gz WFNVWOLBJAKEJC-UHFFFAOYSA-N -1 1 203.209 0.231 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1NC1CC1 ZINC000826514587 587353884 /nfs/dbraw/zinc/35/38/84/587353884.db2.gz WFNVWOLBJAKEJC-UHFFFAOYSA-N -1 1 203.209 0.231 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1NCC1CC1 ZINC000826515433 587353977 /nfs/dbraw/zinc/35/39/77/587353977.db2.gz YNSIKKKVUCCWKY-UHFFFAOYSA-N -1 1 217.236 0.479 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1NCC1CC1 ZINC000826515433 587353978 /nfs/dbraw/zinc/35/39/78/587353978.db2.gz YNSIKKKVUCCWKY-UHFFFAOYSA-N -1 1 217.236 0.479 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCSC1 ZINC000826514304 587353997 /nfs/dbraw/zinc/35/39/97/587353997.db2.gz NFBORZVKDJHAJP-ZCFIWIBFSA-N -1 1 249.303 0.574 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCSC1 ZINC000826514304 587353998 /nfs/dbraw/zinc/35/39/98/587353998.db2.gz NFBORZVKDJHAJP-ZCFIWIBFSA-N -1 1 249.303 0.574 20 0 BCADMM c1n[nH]cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826527079 587354049 /nfs/dbraw/zinc/35/40/49/587354049.db2.gz YEGPLVNGLTXXMU-UHFFFAOYSA-N -1 1 229.207 0.123 20 0 BCADMM c1n[nH]cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826527079 587354050 /nfs/dbraw/zinc/35/40/50/587354050.db2.gz YEGPLVNGLTXXMU-UHFFFAOYSA-N -1 1 229.207 0.123 20 0 BCADMM CCCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826919734 587365552 /nfs/dbraw/zinc/36/55/52/587365552.db2.gz AVCBPKICWXOGOI-RKDXNWHRSA-N -1 1 216.281 0.753 20 0 BCADMM CCNC(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827243529 587373773 /nfs/dbraw/zinc/37/37/73/587373773.db2.gz ZGLDKGCDAQGAQM-VIFPVBQESA-N -1 1 243.307 0.197 20 0 BCADMM C[C@@H]1CCN(Cn2cnc(C(=O)[O-])n2)[C@@H]1C ZINC000828295630 587432542 /nfs/dbraw/zinc/43/25/42/587432542.db2.gz LNKMQFGWWBIFSS-HTQZYQBOSA-N -1 1 224.264 0.664 20 0 BCADMM CN(Cc1nnc[nH]1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000828427341 587441793 /nfs/dbraw/zinc/44/17/93/587441793.db2.gz YYZMRZLZQQWBIC-MRVPVSSYSA-N -1 1 239.279 0.236 20 0 BCADMM C[C@H]1CN(CN2CCSC2=O)C[C@@H]1C(=O)[O-] ZINC000828455740 587443497 /nfs/dbraw/zinc/44/34/97/587443497.db2.gz FPUVRJVLACIVTN-YUMQZZPRSA-N -1 1 244.316 0.765 20 0 BCADMM COC(=O)/C(C)=C\CN(C)[C@@H](C)CNC(=O)[O-] ZINC000828601988 587451180 /nfs/dbraw/zinc/45/11/80/587451180.db2.gz SASWHNKZTHLIDK-RDOCRHDPSA-N -1 1 244.291 0.694 20 0 BCADMM CC[C@](C)(NC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000828685423 587457594 /nfs/dbraw/zinc/45/75/94/587457594.db2.gz KMZZEYMWNSYMID-JTQLQIEISA-N -1 1 240.263 0.107 20 0 BCADMM CC[C@](C)(NC(=O)CCc1ncn[nH]1)C(=O)[O-] ZINC000828685423 587457595 /nfs/dbraw/zinc/45/75/95/587457595.db2.gz KMZZEYMWNSYMID-JTQLQIEISA-N -1 1 240.263 0.107 20 0 BCADMM CC[C@@H](C)[C@H](NCC(=O)NC(C)C)C(=O)[O-] ZINC000828735443 587459301 /nfs/dbraw/zinc/45/93/01/587459301.db2.gz BANHRMILAFSAOS-SCZZXKLOSA-N -1 1 230.308 0.600 20 0 BCADMM CC[C@H]1CC(=O)N(CN(CC)CCC(=O)[O-])C1 ZINC000829074350 587482050 /nfs/dbraw/zinc/48/20/50/587482050.db2.gz CXRNIYUZRNLJPG-JTQLQIEISA-N -1 1 242.319 0.999 20 0 BCADMM CCCC[C@H](C(=O)[O-])N(C)Cc1nnc[nH]1 ZINC000829277592 587490727 /nfs/dbraw/zinc/49/07/27/587490727.db2.gz XJQDFTMCGSJWFV-MRVPVSSYSA-N -1 1 226.280 0.880 20 0 BCADMM CCN(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829608185 587505921 /nfs/dbraw/zinc/50/59/21/587505921.db2.gz FXZNDOMPARZTJO-LLVKDONJSA-N -1 1 228.292 0.308 20 0 BCADMM CCOC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829823186 587520173 /nfs/dbraw/zinc/52/01/73/587520173.db2.gz SAOLVDOVGOWCRI-XHNCKOQMSA-N -1 1 229.276 0.591 20 0 BCADMM Cc1c(CN(C)[C@H](C)CNC(=O)[O-])cnn1C ZINC000829859598 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/nfs/dbraw/zinc/18/33/74/587183374.db2.gz LGWGIKTUAUOXII-UHFFFAOYSA-N -1 1 227.178 0.334 20 0 BCADMM CN1CCCC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000823301590 587214969 /nfs/dbraw/zinc/21/49/69/587214969.db2.gz GFHKKPKLWQSOBA-VIFPVBQESA-N -1 1 230.308 0.289 20 0 BCADMM c1[nH]nc(NC[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC000823816349 587241632 /nfs/dbraw/zinc/24/16/32/587241632.db2.gz UBQASLROQOXTDS-ZETCQYMHSA-N -1 1 249.278 0.428 20 0 BCADMM c1[nH]nc(NC[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000823816349 587241633 /nfs/dbraw/zinc/24/16/33/587241633.db2.gz UBQASLROQOXTDS-ZETCQYMHSA-N -1 1 249.278 0.428 20 0 BCADMM C1=CCC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823872786 587245038 /nfs/dbraw/zinc/24/50/38/587245038.db2.gz DOUNUWMLVKTTKT-UHFFFAOYSA-N -1 1 229.247 0.787 20 0 BCADMM C1=CCC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823872786 587245040 /nfs/dbraw/zinc/24/50/40/587245040.db2.gz DOUNUWMLVKTTKT-UHFFFAOYSA-N -1 1 229.247 0.787 20 0 BCADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1cnc[nH]1 ZINC000824135040 587257731 /nfs/dbraw/zinc/25/77/31/587257731.db2.gz CBNWWSAUIJEHKG-QMMMGPOBSA-N -1 1 240.263 0.318 20 0 BCADMM C[C@H](CCCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824401997 587269684 /nfs/dbraw/zinc/26/96/84/587269684.db2.gz STSYXMYCWGFKCM-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@H](CCCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824401997 587269686 /nfs/dbraw/zinc/26/96/86/587269686.db2.gz STSYXMYCWGFKCM-SSDOTTSWSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@H](CC(=O)N[C@@H](C)c1nnc[nH]1)NC(=O)[O-] ZINC000824615658 587279378 /nfs/dbraw/zinc/27/93/78/587279378.db2.gz VOJAVRGKXOCHHN-RITPCOANSA-N -1 1 241.251 0.028 20 0 BCADMM CSc1n[nH]c(NC(=O)[C@H](O)C2CC2)n1 ZINC000824783785 587287323 /nfs/dbraw/zinc/28/73/23/587287323.db2.gz XRYGUNGZMNDXEQ-RXMQYKEDSA-N -1 1 228.277 0.236 20 0 BCADMM C[C@@]1(Nc2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC000824839086 587289917 /nfs/dbraw/zinc/28/99/17/587289917.db2.gz YOMYWEWMXOIUIQ-SNVBAGLBSA-N -1 1 247.262 0.248 20 0 BCADMM C[C@@]1(Nc2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC000824839086 587289918 /nfs/dbraw/zinc/28/99/18/587289918.db2.gz YOMYWEWMXOIUIQ-SNVBAGLBSA-N -1 1 247.262 0.248 20 0 BCADMM C[C@@]1(Nc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC000824838500 587289976 /nfs/dbraw/zinc/28/99/76/587289976.db2.gz RAHQDNMDURKXAV-LLVKDONJSA-N -1 1 246.274 0.853 20 0 BCADMM C[C@@]1(Nc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC000824838500 587289978 /nfs/dbraw/zinc/28/99/78/587289978.db2.gz RAHQDNMDURKXAV-LLVKDONJSA-N -1 1 246.274 0.853 20 0 BCADMM C[C@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824874504 587291514 /nfs/dbraw/zinc/29/15/14/587291514.db2.gz DCZSVJRDWKBNDC-YUMQZZPRSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824874504 587291515 /nfs/dbraw/zinc/29/15/15/587291515.db2.gz DCZSVJRDWKBNDC-YUMQZZPRSA-N -1 1 245.290 0.891 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824961622 587294834 /nfs/dbraw/zinc/29/48/34/587294834.db2.gz DUNFHEUNKQYEEF-SSDOTTSWSA-N -1 1 231.263 0.503 20 0 BCADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824961622 587294835 /nfs/dbraw/zinc/29/48/35/587294835.db2.gz DUNFHEUNKQYEEF-SSDOTTSWSA-N -1 1 231.263 0.503 20 0 BCADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cc1ccn[nH]1 ZINC000824960955 587295114 /nfs/dbraw/zinc/29/51/14/587295114.db2.gz XCDBLZUIZKMFBA-ZETCQYMHSA-N -1 1 240.263 0.067 20 0 BCADMM C[C@H]1OCC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000825021034 587298897 /nfs/dbraw/zinc/29/88/97/587298897.db2.gz OEDJUSDHDJBOTG-RQJHMYQMSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@H]1OCC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000825021034 587298899 /nfs/dbraw/zinc/29/88/99/587298899.db2.gz OEDJUSDHDJBOTG-RQJHMYQMSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000825021032 587298975 /nfs/dbraw/zinc/29/89/75/587298975.db2.gz OEDJUSDHDJBOTG-NKWVEPMBSA-N -1 1 247.262 0.246 20 0 BCADMM C[C@@H]1OCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000825021032 587298977 /nfs/dbraw/zinc/29/89/77/587298977.db2.gz OEDJUSDHDJBOTG-NKWVEPMBSA-N -1 1 247.262 0.246 20 0 BCADMM CN(C)C1(C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000825026494 587299033 /nfs/dbraw/zinc/29/90/33/587299033.db2.gz IYLNVBNIWQDGGR-VIFPVBQESA-N -1 1 228.292 0.655 20 0 BCADMM CC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825068052 587302278 /nfs/dbraw/zinc/30/22/78/587302278.db2.gz OWWINIQXCAHZTI-LURJTMIESA-N -1 1 219.252 0.867 20 0 BCADMM CC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825068052 587302280 /nfs/dbraw/zinc/30/22/80/587302280.db2.gz OWWINIQXCAHZTI-LURJTMIESA-N -1 1 219.252 0.867 20 0 BCADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000825255263 587311361 /nfs/dbraw/zinc/31/13/61/587311361.db2.gz PUPRTWMWLQVNJJ-XHNCKOQMSA-N -1 1 243.307 0.228 20 0 BCADMM CCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825290777 587313343 /nfs/dbraw/zinc/31/33/43/587313343.db2.gz HWHFVXLBLPMTPW-UHFFFAOYSA-N -1 1 219.252 0.869 20 0 BCADMM CCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825290777 587313344 /nfs/dbraw/zinc/31/33/44/587313344.db2.gz HWHFVXLBLPMTPW-UHFFFAOYSA-N -1 1 219.252 0.869 20 0 BCADMM C[C@H](NCCN(C)C(=O)[O-])c1cnccn1 ZINC000825495620 587321393 /nfs/dbraw/zinc/32/13/93/587321393.db2.gz HTTMZDNFMVNHPN-QMMMGPOBSA-N -1 1 224.264 0.737 20 0 BCADMM CN(C(=O)C[C@H]1CC=CCC1)c1nn[n-]n1 ZINC000825530522 587323977 /nfs/dbraw/zinc/32/39/77/587323977.db2.gz DYCCBCXUAXMJJU-QMMMGPOBSA-N -1 1 221.264 0.909 20 0 BCADMM CCOCCn1cccc(-c2nn[n-]n2)c1=O ZINC000825605307 587326850 /nfs/dbraw/zinc/32/68/50/587326850.db2.gz UPPUIHLQAZHXRS-UHFFFAOYSA-N -1 1 235.247 0.065 20 0 BCADMM CCc1noc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000825777582 587338711 /nfs/dbraw/zinc/33/87/11/587338711.db2.gz YXQKLYHFXJMDFX-UHFFFAOYSA-N -1 1 246.234 0.057 20 0 BCADMM CCc1noc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000825777582 587338712 /nfs/dbraw/zinc/33/87/12/587338712.db2.gz YXQKLYHFXJMDFX-UHFFFAOYSA-N -1 1 246.234 0.057 20 0 BCADMM CN(CC(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC000825901703 587344704 /nfs/dbraw/zinc/34/47/04/587344704.db2.gz JTDZJACXZNGANL-UHFFFAOYSA-N -1 1 240.217 0.963 20 0 BCADMM CN(CC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC000825901703 587344706 /nfs/dbraw/zinc/34/47/06/587344706.db2.gz JTDZJACXZNGANL-UHFFFAOYSA-N -1 1 240.217 0.963 20 0 BCADMM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H]2CCC[C@H]21 ZINC000825999470 587348306 /nfs/dbraw/zinc/34/83/06/587348306.db2.gz BLLKKFHSJATHCZ-HRDYMLBCSA-N -1 1 226.276 0.060 20 0 BCADMM C[C@@H](C(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)N(C)C ZINC000826033862 587349168 /nfs/dbraw/zinc/34/91/68/587349168.db2.gz CLOZMEPHHSRFTH-IUCAKERBSA-N -1 1 243.307 0.147 20 0 BCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@@H](O)C1 ZINC000826281005 587351722 /nfs/dbraw/zinc/35/17/22/587351722.db2.gz ZJINUWBRECGBNC-MRVPVSSYSA-N -1 1 246.274 0.141 20 0 BCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](O)C1 ZINC000826281005 587351723 /nfs/dbraw/zinc/35/17/23/587351723.db2.gz ZJINUWBRECGBNC-MRVPVSSYSA-N -1 1 246.274 0.141 20 0 BCADMM Cc1cccnc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000826308807 587352215 /nfs/dbraw/zinc/35/22/15/587352215.db2.gz QPEPULIIKYWITK-UHFFFAOYSA-N -1 1 242.246 0.210 20 0 BCADMM OCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826509993 587353390 /nfs/dbraw/zinc/35/33/90/587353390.db2.gz SYPBPYUNUKKAGG-UHFFFAOYSA-N -1 1 238.222 0.767 20 0 BCADMM OCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826509993 587353391 /nfs/dbraw/zinc/35/33/91/587353391.db2.gz SYPBPYUNUKKAGG-UHFFFAOYSA-N -1 1 238.222 0.767 20 0 BCADMM c1cc(N2C[C@H]3CCC[C@H]32)nnc1-c1nnn[n-]1 ZINC000826516351 587353524 /nfs/dbraw/zinc/35/35/24/587353524.db2.gz HRSRKNNPALXEQD-VXNVDRBHSA-N -1 1 243.274 0.645 20 0 BCADMM c1cc(N2C[C@H]3CCC[C@H]32)nnc1-c1nn[n-]n1 ZINC000826516351 587353525 /nfs/dbraw/zinc/35/35/25/587353525.db2.gz HRSRKNNPALXEQD-VXNVDRBHSA-N -1 1 243.274 0.645 20 0 BCADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCSC1 ZINC000826514303 587353791 /nfs/dbraw/zinc/35/37/91/587353791.db2.gz NFBORZVKDJHAJP-LURJTMIESA-N -1 1 249.303 0.574 20 0 BCADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCSC1 ZINC000826514303 587353792 /nfs/dbraw/zinc/35/37/92/587353792.db2.gz NFBORZVKDJHAJP-LURJTMIESA-N -1 1 249.303 0.574 20 0 BCADMM CC(C)[C@H]1CCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC000826736182 587360736 /nfs/dbraw/zinc/36/07/36/587360736.db2.gz PRPQDIQGGJLEJH-VIFPVBQESA-N -1 1 238.291 0.912 20 0 BCADMM CCN(OC)C(=O)C[N-]c1nnc(C2CC2)o1 ZINC000826750728 587361222 /nfs/dbraw/zinc/36/12/22/587361222.db2.gz ANZJWIINYAZSIS-UHFFFAOYSA-N -1 1 240.263 0.769 20 0 BCADMM CC(C)NC(=O)CC[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826972201 587367137 /nfs/dbraw/zinc/36/71/37/587367137.db2.gz ZVLRTDREEAEMCV-LLVKDONJSA-N -1 1 246.282 0.400 20 0 BCADMM CC(C)OC[C@@H](O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000827027615 587368458 /nfs/dbraw/zinc/36/84/58/587368458.db2.gz STMOHEMEBKUTBH-ONGXEEELSA-N -1 1 249.282 0.271 20 0 BCADMM CCN(CCCNCc1cn(C)nn1)C(=O)[O-] ZINC000827130424 587370841 /nfs/dbraw/zinc/37/08/41/587370841.db2.gz WLAJPIPGCTUJNY-UHFFFAOYSA-N -1 1 241.295 0.295 20 0 BCADMM C[C@@H](CC(=O)[O-])C(=O)OCCc1c[nH]nn1 ZINC000827341498 587377617 /nfs/dbraw/zinc/37/76/17/587377617.db2.gz FZFYSYRXHKXZEN-LURJTMIESA-N -1 1 227.220 0.001 20 0 BCADMM C[C@H](CC(=O)[O-])C(=O)OCCc1c[nH]nn1 ZINC000827341499 587377715 /nfs/dbraw/zinc/37/77/15/587377715.db2.gz FZFYSYRXHKXZEN-ZCFIWIBFSA-N -1 1 227.220 0.001 20 0 BCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2CC2)CC1 ZINC000827357406 587378224 /nfs/dbraw/zinc/37/82/24/587378224.db2.gz XUDGIKIATPICGU-VIFPVBQESA-N -1 1 240.303 0.404 20 0 BCADMM CN(C)CC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828010698 587415921 /nfs/dbraw/zinc/41/59/21/587415921.db2.gz UAAMDXJONLIWLB-VIFPVBQESA-N -1 1 243.307 0.149 20 0 BCADMM C[C@H]1CN(Cn2cc[nH]c2=S)C[C@H]1C(=O)[O-] ZINC000828465364 587444147 /nfs/dbraw/zinc/44/41/47/587444147.db2.gz XJDSXUMYRSEKHP-JGVFFNPUSA-N -1 1 241.316 0.782 20 0 BCADMM C[C@@H]1CN(Cn2cnc(C(=O)[O-])n2)C[C@H]1C ZINC000828465928 587444196 /nfs/dbraw/zinc/44/41/96/587444196.db2.gz ZAJXZBFOIPEANZ-HTQZYQBOSA-N -1 1 224.264 0.522 20 0 BCADMM CN1CCC[C@@H]1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000828480391 587444887 /nfs/dbraw/zinc/44/48/87/587444887.db2.gz GOUIXBHZVFWNNJ-MRVPVSSYSA-N -1 1 243.307 0.243 20 0 BCADMM C/C=C/C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828543428 587449853 /nfs/dbraw/zinc/44/98/53/587449853.db2.gz UBZUFJJOHLSNJM-FSIBCCDJSA-N -1 1 240.303 0.570 20 0 BCADMM CC[C@@H](C(=O)OC)N(C)C[C@H](C)C(=O)[O-] ZINC000828604045 587452903 /nfs/dbraw/zinc/45/29/03/587452903.db2.gz TUFPQSVWCYWNLD-YUMQZZPRSA-N -1 1 217.265 0.591 20 0 BCADMM CC[C@](C)(NC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000828685078 587457021 /nfs/dbraw/zinc/45/70/21/587457021.db2.gz DNPMBUGZYKQTMC-XVKPBYJWSA-N -1 1 216.281 0.306 20 0 BCADMM CC[C@](C)(NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-] ZINC000828685090 587457230 /nfs/dbraw/zinc/45/72/30/587457230.db2.gz DSTSEEDOCLEJKE-NSHDSACASA-N -1 1 239.275 0.630 20 0 BCADMM CC[C@H](O)CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000829004650 587479096 /nfs/dbraw/zinc/47/90/96/587479096.db2.gz NZJIMNWKRDDZKX-UWVGGRQHSA-N -1 1 233.308 0.567 20 0 BCADMM COc1c(CNCCNC(=O)[O-])c(C)nn1C ZINC000829067339 587481477 /nfs/dbraw/zinc/48/14/77/587481477.db2.gz UUSVSUOQFGYABQ-UHFFFAOYSA-N -1 1 242.279 0.094 20 0 BCADMM CC(=O)[C@H](OC(=O)c1cn[n-]n1)C(C)C ZINC000829184465 587486716 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BFHOPARPCKEUNB-DJLDLDEBSA-N -1 1 238.291 0.103 20 0 BCADMM O=c1[n-]c(CN2CCC[C@H]2[C@H]2CCCO2)n[nH]1 ZINC000328871890 183307366 /nfs/dbraw/zinc/30/73/66/183307366.db2.gz DQMJOQIURHFUTD-DTWKUNHWSA-N -1 1 238.291 0.654 20 0 BCADMM CCCN(CCS(=O)(=O)CC)CC(=O)[O-] ZINC000038021984 169169305 /nfs/dbraw/zinc/16/93/05/169169305.db2.gz IKRHNBBTLPJSLQ-UHFFFAOYSA-N -1 1 237.321 0.218 20 0 BCADMM CCC[C@@H](NC(=O)c1cn(C)cn1)c1nn[n-]n1 ZINC000179059970 169397960 /nfs/dbraw/zinc/39/79/60/169397960.db2.gz DKCKYDJRJJPOHI-SSDOTTSWSA-N -1 1 249.278 0.204 20 0 BCADMM C[C@H](CCCO)NC(=O)c1cncc([O-])c1 ZINC000087360932 383831241 /nfs/dbraw/zinc/83/12/41/383831241.db2.gz XPQBOCDXUFNBKM-MRVPVSSYSA-N -1 1 224.260 0.678 20 0 BCADMM O=C1CN(Cc2ncccc2[O-])CN1C1CC1 ZINC000558409218 383990137 /nfs/dbraw/zinc/99/01/37/383990137.db2.gz OFCZUJBCNKISPX-UHFFFAOYSA-N -1 1 233.271 0.551 20 0 BCADMM C[C@@H](CC(=O)[N-]OCC(N)=O)c1ccccc1 ZINC000089462380 383968772 /nfs/dbraw/zinc/96/87/72/383968772.db2.gz OTKRNBLIGFTGHR-VIFPVBQESA-N -1 1 236.271 0.713 20 0 BCADMM O=C(NC[C@@H]1CCCO1)c1ncccc1[O-] ZINC000037760601 384010557 /nfs/dbraw/zinc/01/05/57/384010557.db2.gz VFFJWAFYOFHARH-QMMMGPOBSA-N -1 1 222.244 0.696 20 0 BCADMM CC[C@H](COC)NC(=O)c1ncccc1[O-] ZINC000070659468 384131972 /nfs/dbraw/zinc/13/19/72/384131972.db2.gz IIQRCHOTIQSCMS-MRVPVSSYSA-N -1 1 224.260 0.942 20 0 BCADMM COC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000042519513 384228915 /nfs/dbraw/zinc/22/89/15/384228915.db2.gz FVKOCCFIDJYKMY-MRVPVSSYSA-N -1 1 224.260 0.894 20 0 BCADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000427969659 384255122 /nfs/dbraw/zinc/25/51/22/384255122.db2.gz GZSNJGVYTXHOJA-LURJTMIESA-N -1 1 237.259 0.832 20 0 BCADMM CC(C)(O)CNC(=O)c1ncccc1[O-] ZINC000083467081 384305611 /nfs/dbraw/zinc/30/56/11/384305611.db2.gz XBOCUIDOHGHOND-UHFFFAOYSA-N -1 1 210.233 0.288 20 0 BCADMM COC(=O)c1c[n-]c(SC[C@@H](C)O)n1 ZINC000142681589 384307983 /nfs/dbraw/zinc/30/79/83/384307983.db2.gz VPVYWJZRNFULNG-RXMQYKEDSA-N -1 1 216.262 0.669 20 0 BCADMM C[NH+](C)CCNC(=O)c1ccc(F)cc1O ZINC000093900836 384280629 /nfs/dbraw/zinc/28/06/29/384280629.db2.gz WPNZOTPWIKRXED-UHFFFAOYSA-N -1 1 226.251 0.823 20 0 BCADMM CC(C)[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC000134228423 384339459 /nfs/dbraw/zinc/33/94/59/384339459.db2.gz VCRUVVPJRPESGT-VIFPVBQESA-N -1 1 224.260 0.534 20 0 BCADMM CC[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)O ZINC000334102779 384344664 /nfs/dbraw/zinc/34/46/64/384344664.db2.gz ZMUVDVGURNNCFD-HTQZYQBOSA-N -1 1 224.260 0.676 20 0 BCADMM CC[C@H](C)[C@H](O)CNC(=O)c1ncccc1[O-] ZINC000134277745 384346654 /nfs/dbraw/zinc/34/66/54/384346654.db2.gz QFMHBGULJGKXOK-WCBMZHEXSA-N -1 1 238.287 0.924 20 0 BCADMM CC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC000037760361 384527513 /nfs/dbraw/zinc/52/75/13/384527513.db2.gz BRRYKXWBTXODMD-SSDOTTSWSA-N -1 1 210.233 0.288 20 0 BCADMM C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1nnn[n-]1 ZINC000363545418 384588383 /nfs/dbraw/zinc/58/83/83/384588383.db2.gz KVGRNRRAUUYIEH-MUWHJKNJSA-N -1 1 245.242 0.703 20 0 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20 0 BCADMM OCC1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823715642 587237724 /nfs/dbraw/zinc/23/77/24/587237724.db2.gz WBONHQDASUXBNA-UHFFFAOYSA-N -1 1 246.274 0.446 20 0 BCADMM OCC1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823715642 587237726 /nfs/dbraw/zinc/23/77/26/587237726.db2.gz WBONHQDASUXBNA-UHFFFAOYSA-N -1 1 246.274 0.446 20 0 BCADMM CC[C@@H](CC(C)C)C(=O)NN1CC(=O)[N-]C1=O ZINC000823736697 587238548 /nfs/dbraw/zinc/23/85/48/587238548.db2.gz KZRVXOJZNRFJQL-QMMMGPOBSA-N -1 1 241.291 0.642 20 0 BCADMM CC(C)[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824206439 587260609 /nfs/dbraw/zinc/26/06/09/587260609.db2.gz DRHBYQAAWKGXSO-SECBINFHSA-N -1 1 248.290 0.691 20 0 BCADMM CC(C)[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824206439 587260611 /nfs/dbraw/zinc/26/06/11/587260611.db2.gz DRHBYQAAWKGXSO-SECBINFHSA-N -1 1 248.290 0.691 20 0 BCADMM C[C@@H](Cn1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC000824464402 587271516 /nfs/dbraw/zinc/27/15/16/587271516.db2.gz GDNUNIURGAQZFZ-BYPYZUCNSA-N -1 1 247.184 0.657 20 0 BCADMM C[C@@H](O)C(C)(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824679669 587282194 /nfs/dbraw/zinc/28/21/94/587282194.db2.gz UPLSHBPICHMQNK-SSDOTTSWSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](O)C(C)(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824679669 587282196 /nfs/dbraw/zinc/28/21/96/587282196.db2.gz UPLSHBPICHMQNK-SSDOTTSWSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824677111 587282360 /nfs/dbraw/zinc/28/23/60/587282360.db2.gz BKUZORSELBBWBM-ZCFIWIBFSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@@H](O)C(C)(C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824677111 587282362 /nfs/dbraw/zinc/28/23/62/587282362.db2.gz BKUZORSELBBWBM-ZCFIWIBFSA-N -1 1 249.278 0.228 20 0 BCADMM C[C@H](O)C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824699739 587283577 /nfs/dbraw/zinc/28/35/77/587283577.db2.gz VBNUZBKDGMEWOU-YUMQZZPRSA-N -1 1 248.290 0.833 20 0 BCADMM C[C@H](O)C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824699739 587283579 /nfs/dbraw/zinc/28/35/79/587283579.db2.gz VBNUZBKDGMEWOU-YUMQZZPRSA-N -1 1 248.290 0.833 20 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C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC000824992728 587297711 /nfs/dbraw/zinc/29/77/11/587297711.db2.gz NSKJDDJUFGYWQS-HTQZYQBOSA-N -1 1 245.290 0.749 20 0 BCADMM CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825068053 587302139 /nfs/dbraw/zinc/30/21/39/587302139.db2.gz OWWINIQXCAHZTI-ZCFIWIBFSA-N -1 1 219.252 0.867 20 0 BCADMM CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825068053 587302141 /nfs/dbraw/zinc/30/21/41/587302141.db2.gz OWWINIQXCAHZTI-ZCFIWIBFSA-N -1 1 219.252 0.867 20 0 BCADMM C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])c1nnc[nH]1 ZINC000825067396 587302566 /nfs/dbraw/zinc/30/25/66/587302566.db2.gz UGXPBTOMPFOEDK-RXMQYKEDSA-N -1 1 241.251 0.028 20 0 BCADMM CC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825115378 587305270 /nfs/dbraw/zinc/30/52/70/587305270.db2.gz XBIITKNCCDXDAN-ZETCQYMHSA-N -1 1 249.278 0.230 20 0 BCADMM CC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825115378 587305272 /nfs/dbraw/zinc/30/52/72/587305272.db2.gz XBIITKNCCDXDAN-ZETCQYMHSA-N -1 1 249.278 0.230 20 0 BCADMM C[C@H](C(N)=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255261 587311513 /nfs/dbraw/zinc/31/15/13/587311513.db2.gz PUPRTWMWLQVNJJ-DJLDLDEBSA-N -1 1 243.307 0.228 20 0 BCADMM CCN(CCCO)c1cccc(-c2nnn[n-]2)n1 ZINC000825418990 587318677 /nfs/dbraw/zinc/31/86/77/587318677.db2.gz CGPBNWXDKFTWCD-UHFFFAOYSA-N -1 1 248.290 0.470 20 0 BCADMM CCN(CCCO)c1cccc(-c2nn[n-]n2)n1 ZINC000825418990 587318679 /nfs/dbraw/zinc/31/86/79/587318679.db2.gz CGPBNWXDKFTWCD-UHFFFAOYSA-N -1 1 248.290 0.470 20 0 BCADMM CCN(CCOC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825424585 587318745 /nfs/dbraw/zinc/31/87/45/587318745.db2.gz KYFUACDULZOLOP-UHFFFAOYSA-N -1 1 249.278 0.129 20 0 BCADMM CCN(CCOC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825424585 587318747 /nfs/dbraw/zinc/31/87/47/587318747.db2.gz KYFUACDULZOLOP-UHFFFAOYSA-N -1 1 249.278 0.129 20 0 BCADMM CN(C(=O)C1(C)CC=CC1)c1nn[n-]n1 ZINC000825532032 587323729 /nfs/dbraw/zinc/32/37/29/587323729.db2.gz RKQUCEUOGYQLKL-UHFFFAOYSA-N -1 1 207.237 0.519 20 0 BCADMM 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