smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCN(C)CCN(C)C(=O)[C@H](C)CC ZINC001482580472 963844117 /nfs/dbraw/zinc/84/41/17/963844117.db2.gz CEIBIRBBBMBMRL-GFCCVEGCSA-N 0 3 224.348 1.446 20 30 BDEDHN C#CCN(C)CCCNC(=O)C(C)(C)C(F)F ZINC000698529559 965326632 /nfs/dbraw/zinc/32/66/32/965326632.db2.gz PECGZEXQBZKJKL-UHFFFAOYSA-N 0 3 246.301 1.349 20 30 BDEDHN C=CCOC[C@@H](O)CN1CCCC[C@](C)(F)C1 ZINC001252461038 968718003 /nfs/dbraw/zinc/71/80/03/968718003.db2.gz KPBNAQKXDJODRM-STQMWFEESA-N 0 3 245.338 1.764 20 30 BDEDHN C=CCOC[C@H](O)CNCc1ccoc1C ZINC001252489144 968750163 /nfs/dbraw/zinc/75/01/63/968750163.db2.gz XCLYSTKBVUPFOR-GFCCVEGCSA-N 0 3 225.288 1.241 20 30 BDEDHN C=CCOC[C@@H](O)CN[C@@H](C)C(=O)CCCC ZINC001252489352 968748866 /nfs/dbraw/zinc/74/88/66/968748866.db2.gz YWROSCOPVVIRMM-RYUDHWBXSA-N 0 3 243.347 1.287 20 30 BDEDHN C=C[C@@](C)(O)CN1CCn2cccc2[C@@H]1C ZINC001252556612 968800360 /nfs/dbraw/zinc/80/03/60/968800360.db2.gz DEWPHTWCLSQHGT-WCQYABFASA-N 0 3 220.316 1.802 20 30 BDEDHN C=C[C@@](C)(O)CNC(C)(C)c1ccccn1 ZINC001252580595 968832919 /nfs/dbraw/zinc/83/29/19/968832919.db2.gz CJGUOENQZNCIIF-CYBMUJFWSA-N 0 3 220.316 1.843 20 30 BDEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(CF)CC1 ZINC001155189611 968923120 /nfs/dbraw/zinc/92/31/20/968923120.db2.gz SMQUTMYKJCIBPS-LLVKDONJSA-N 0 3 240.322 1.196 20 30 BDEDHN C#CC1(N[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC001254326641 969562042 /nfs/dbraw/zinc/56/20/42/969562042.db2.gz IYZPMFUWYVCUPP-LLVKDONJSA-N 0 3 241.356 1.099 20 30 BDEDHN N#C[C@@H]1CC[C@H](n2cnc3c2CNCC3)C1 ZINC001254661449 969770789 /nfs/dbraw/zinc/77/07/89/969770789.db2.gz UAYWTDHDTNJCIW-ZJUUUORDSA-N 0 3 216.288 1.394 20 30 BDEDHN CCNC(=O)[C@@H]1CCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254676977 969785531 /nfs/dbraw/zinc/78/55/31/969785531.db2.gz PGDBMELRJFDXET-SRVKXCTJSA-N 0 3 235.331 1.279 20 30 BDEDHN C=CCN(CC=C)[C@H]1CCCN(C(C)=O)C1 ZINC001169615923 969795804 /nfs/dbraw/zinc/79/58/04/969795804.db2.gz FFOVYGAZCHPWJL-ZDUSSCGKSA-N 0 3 222.332 1.671 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](N)C[C@@H](C)CC ZINC000400956520 970648288 /nfs/dbraw/zinc/64/82/88/970648288.db2.gz DRJZUJJQUIWZJC-NWDGAFQWSA-N 0 3 224.348 1.951 20 30 BDEDHN CN1CC(CNc2ncccc2CC#N)C1 ZINC001170250043 970653541 /nfs/dbraw/zinc/65/35/41/970653541.db2.gz UUJYZFOUOSMEGF-UHFFFAOYSA-N 0 3 216.288 1.121 20 30 BDEDHN COC(=O)CCCC[C@@H](C)NCCC#N ZINC001173436825 975372358 /nfs/dbraw/zinc/37/23/58/975372358.db2.gz YGKIYSPETRXABP-SNVBAGLBSA-N 0 3 212.293 1.612 20 30 BDEDHN CC(C)N(CCCO)Cc1cncc(C#N)c1 ZINC000721546983 977231550 /nfs/dbraw/zinc/23/15/50/977231550.db2.gz WXLALHSFBBOJBN-UHFFFAOYSA-N 0 3 233.315 1.546 20 30 BDEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OC ZINC001230964407 977404862 /nfs/dbraw/zinc/40/48/62/977404862.db2.gz ABQQJVUKSOWLNQ-NWDGAFQWSA-N 0 3 240.347 1.130 20 30 BDEDHN CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231292923 977560142 /nfs/dbraw/zinc/56/01/42/977560142.db2.gz GYNCBTPTURFETH-RYUDHWBXSA-N 0 3 237.347 1.479 20 30 BDEDHN C#C[C@H](CC)NC(=O)[C@@H]1CCCCN1CCC ZINC001338998714 978769149 /nfs/dbraw/zinc/76/91/49/978769149.db2.gz MDRWPDFQTHTGJF-OLZOCXBDSA-N 0 3 236.359 1.779 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H]1CCSC1 ZINC001340117565 978972568 /nfs/dbraw/zinc/97/25/68/978972568.db2.gz BPFGODXJGWAXFF-WDEREUQCSA-N 0 3 242.388 1.634 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)NC1CCSCC1 ZINC001341414634 979384458 /nfs/dbraw/zinc/38/44/58/979384458.db2.gz ZBHSBGWISDBLLZ-LLVKDONJSA-N 0 3 242.388 1.682 20 30 BDEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001182041956 979417400 /nfs/dbraw/zinc/41/74/00/979417400.db2.gz FXLLZYZQAUWKBF-NEPJUHHUSA-N 0 3 234.343 1.246 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)NCC(C)(F)F ZINC001342144668 979676450 /nfs/dbraw/zinc/67/64/50/979676450.db2.gz MALXQKWPFHOKGU-MRVPVSSYSA-N 0 3 220.263 1.441 20 30 BDEDHN Cn1ccnc1C(C#N)C(=O)C(C)(C)C ZINC001343716360 980214053 /nfs/dbraw/zinc/21/40/53/980214053.db2.gz HQHQTAUYORFMTR-MRVPVSSYSA-N 0 3 205.261 1.642 20 30 BDEDHN Cc1cc(C2=CCN(C)CC2)ncc1C#N ZINC001241309738 982447602 /nfs/dbraw/zinc/44/76/02/982447602.db2.gz YEVOKTCGWJAAGO-UHFFFAOYSA-N 0 3 213.284 1.981 20 30 BDEDHN CC#CCN(CC)[C@H](C)CNC(=O)/C(C)=C\C ZINC001152687210 983044410 /nfs/dbraw/zinc/04/44/10/983044410.db2.gz KBVHDFQYQYJEBT-FFXRNRBCSA-N 0 3 236.359 1.803 20 30 BDEDHN CC#CCNC/C=C/CNC(=O)CCCCC ZINC001273853513 983099762 /nfs/dbraw/zinc/09/97/62/983099762.db2.gz WQRPHJWDPCTDCL-CMDGGOBGSA-N 0 3 236.359 1.852 20 30 BDEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C ZINC001355068426 983407476 /nfs/dbraw/zinc/40/74/76/983407476.db2.gz HDOZRZRVVWFLAY-LBPRGKRZSA-N 0 3 224.348 1.943 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC001358154799 983832911 /nfs/dbraw/zinc/83/29/11/983832911.db2.gz RDUVSHMOXMTYOC-NWDGAFQWSA-N 0 3 240.347 1.165 20 30 BDEDHN C=CCC[C@H](O)CN1CCOC[C@@H]1C(C)C ZINC001252602669 983842903 /nfs/dbraw/zinc/84/29/03/983842903.db2.gz VKWSLYAWFWCCDL-QWHCGFSZSA-N 0 3 227.348 1.670 20 30 BDEDHN C=C(C)C[C@H](N)C(=O)N(CC)CC(F)F ZINC001574067276 984058764 /nfs/dbraw/zinc/05/87/64/984058764.db2.gz NGAQEMLUIXDFJL-QMMMGPOBSA-N 0 3 220.263 1.394 20 30 BDEDHN C=C(C)C[C@H](N)C(=O)N[C@@H]1CCS[C@H]1C ZINC001574067100 984062760 /nfs/dbraw/zinc/06/27/60/984062760.db2.gz IMRNDFVNUCVZJZ-LPEHRKFASA-N 0 3 228.361 1.290 20 30 BDEDHN C=C(C)C[C@@H](N)C(=O)N1CCSC[C@H]1C ZINC001574067411 984063643 /nfs/dbraw/zinc/06/36/43/984063643.db2.gz QYOOKLSDSDXILR-NXEZZACHSA-N 0 3 228.361 1.244 20 30 BDEDHN C=C(C)C[C@H](N)C(=O)NCC(=C)Cl ZINC001574067623 984068825 /nfs/dbraw/zinc/06/88/25/984068825.db2.gz XLWMOZXOCXFJEF-QMMMGPOBSA-N 0 3 202.685 1.149 20 30 BDEDHN C=CCN1CCN([C@@H](C)CCOC(C)C)CC1 ZINC001172452294 974815824 /nfs/dbraw/zinc/81/58/24/974815824.db2.gz YXYOPLKNYXPVLX-AWEZNQCLSA-N 0 3 240.391 1.994 20 30 BDEDHN N#CCC[C@@H](C#N)CNC1CCC(C(N)=O)CC1 ZINC001327977713 972839448 /nfs/dbraw/zinc/83/94/48/972839448.db2.gz JFUHTKQTULLOAR-UNXYVOJBSA-N 0 3 248.330 1.064 20 30 BDEDHN C=CCN1C[C@@H]2C(NC(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001113971579 970784677 /nfs/dbraw/zinc/78/46/77/970784677.db2.gz MNXCLEIILFKLLS-RCNSNYRISA-N 0 3 234.343 1.575 20 30 BDEDHN C=CC[C@H](CCC)OCCN1CCN(C)CC1 ZINC001224552636 973762981 /nfs/dbraw/zinc/76/29/81/973762981.db2.gz QYNZMSJSFBEBBP-CQSZACIVSA-N 0 3 240.391 1.995 20 30 BDEDHN C#CCNCCNC(=O)[C@H](C)CCC(C)(C)C ZINC001147787081 973767049 /nfs/dbraw/zinc/76/70/49/973767049.db2.gz PFXFUWSEDRIXED-GFCCVEGCSA-N 0 3 238.375 1.788 20 30 BDEDHN C[C@@H](C#N)NC1CCC(N2CCOCC2)CC1 ZINC001256684987 970922145 /nfs/dbraw/zinc/92/21/45/970922145.db2.gz WVCSHJCWTVTJBP-HIFPTAJRSA-N 0 3 237.347 1.131 20 30 BDEDHN CC#CCNCCNC(=O)[C@H]1CCC=CCCC1 ZINC001130160722 970939041 /nfs/dbraw/zinc/93/90/41/970939041.db2.gz ZAXRSLBTNJYTAJ-AWEZNQCLSA-N 0 3 248.370 1.852 20 30 BDEDHN C#CCNCCNC(=O)[C@@H](C)C(CC)CC ZINC001130585798 971011201 /nfs/dbraw/zinc/01/12/01/971011201.db2.gz VAWYXMDCPHUENJ-NSHDSACASA-N 0 3 224.348 1.398 20 30 BDEDHN N#CC1CCC(N2CC[C@](F)(CO)C2)CC1 ZINC001256965409 971026117 /nfs/dbraw/zinc/02/61/17/971026117.db2.gz SWKOULCHYGHDRM-HTAVTVPLSA-N 0 3 226.295 1.475 20 30 BDEDHN Cc1cc(CNC2CCC(C#N)CC2)nn1C ZINC001256955865 971028321 /nfs/dbraw/zinc/02/83/21/971028321.db2.gz CLNLMOZQNVLCES-UHFFFAOYSA-N 0 3 232.331 1.901 20 30 BDEDHN COC(=O)[C@@H]1CC[C@H](N2CCC(C#N)CC2)C1 ZINC001170535326 971116859 /nfs/dbraw/zinc/11/68/59/971116859.db2.gz APDHXTFQFFVXKC-NEPJUHHUSA-N 0 3 236.315 1.564 20 30 BDEDHN Cc1ccc(C#N)nc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170561436 971183288 /nfs/dbraw/zinc/18/32/88/971183288.db2.gz FEPUIEFUMQLWCX-JQWIXIFHSA-N 0 3 246.314 1.051 20 30 BDEDHN C=C(C)c1ccc(N[C@H](C)[C@H]2CNCCO2)nc1 ZINC001170567893 971212166 /nfs/dbraw/zinc/21/21/66/971212166.db2.gz GGQNDXVHGQCXOQ-DGCLKSJQSA-N 0 3 247.342 1.904 20 30 BDEDHN CC#CCNCCNC(=O)c1ncc(C)cc1C ZINC001131599362 971221256 /nfs/dbraw/zinc/22/12/56/971221256.db2.gz ZRUUJDFRGFKMPT-UHFFFAOYSA-N 0 3 245.326 1.041 20 30 BDEDHN C=CCOCCN1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001131725468 971258468 /nfs/dbraw/zinc/25/84/68/971258468.db2.gz LGXIZBGBRKUZGC-AAEUAGOBSA-N 0 3 240.347 1.178 20 30 BDEDHN CC#CCNCCNC(=O)C1(C2CC2)CCC1 ZINC001131918027 971291077 /nfs/dbraw/zinc/29/10/77/971291077.db2.gz CWZVIAOXYSWPLN-UHFFFAOYSA-N 0 3 234.343 1.296 20 30 BDEDHN CC#CCNCCNC(=O)CC(C)=C(C)C ZINC001132463298 971362158 /nfs/dbraw/zinc/36/21/58/971362158.db2.gz OQKXRTOURXQFAF-UHFFFAOYSA-N 0 3 222.332 1.462 20 30 BDEDHN CC#CCNCCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001132538235 971367849 /nfs/dbraw/zinc/36/78/49/971367849.db2.gz LUWOASOEBWALSU-STQMWFEESA-N 0 3 236.359 1.542 20 30 BDEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNC/C=C/Cl ZINC001132576864 971384076 /nfs/dbraw/zinc/38/40/76/971384076.db2.gz OOTYDIJKJPVNFM-PZIAFJOJSA-N 0 3 244.766 1.903 20 30 BDEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCC#CC ZINC001132575893 971384092 /nfs/dbraw/zinc/38/40/92/971384092.db2.gz FCIQFAMDUGNNPE-RYUDHWBXSA-N 0 3 222.332 1.174 20 30 BDEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCC#CC ZINC001132575890 971384521 /nfs/dbraw/zinc/38/45/21/971384521.db2.gz FCIQFAMDUGNNPE-NWDGAFQWSA-N 0 3 222.332 1.174 20 30 BDEDHN C#CCNCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001133062046 971446055 /nfs/dbraw/zinc/44/60/55/971446055.db2.gz IBPJSMHUAWIJKR-VXGBXAGGSA-N 0 3 222.332 1.152 20 30 BDEDHN C#CCNCCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001133063416 971450530 /nfs/dbraw/zinc/45/05/30/971450530.db2.gz ZNQWTTXLMJZTID-RYUDHWBXSA-N 0 3 222.332 1.152 20 30 BDEDHN C=C1CCC(C(=O)NCCNCC#CC)CC1 ZINC001133373876 971500482 /nfs/dbraw/zinc/50/04/82/971500482.db2.gz JNHZSPRLVBBBPK-UHFFFAOYSA-N 0 3 234.343 1.462 20 30 BDEDHN CC#CCNCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001134746383 971776298 /nfs/dbraw/zinc/77/62/98/971776298.db2.gz NWLXOAAGWSJELG-NWDGAFQWSA-N 0 3 222.332 1.152 20 30 BDEDHN CCOC(=O)C(C#N)Nc1ccc(C)c(C#N)n1 ZINC001159320724 971816679 /nfs/dbraw/zinc/81/66/79/971816679.db2.gz ZBGCIBWXNQXERD-SNVBAGLBSA-N 0 3 244.254 1.129 20 30 BDEDHN Cc1coc(NC(=O)[C@@H](N)CC2CCC2)c1C#N ZINC001218764735 971932437 /nfs/dbraw/zinc/93/24/37/971932437.db2.gz OUPQHYIBFYNTEM-NSHDSACASA-N 0 3 247.298 1.916 20 30 BDEDHN Cc1cc(N[C@@H](C)[C@H]2CNCCO2)ncc1C#N ZINC001159501569 971955674 /nfs/dbraw/zinc/95/56/74/971955674.db2.gz ZXZJVPSIJWUIPN-CMPLNLGQSA-N 0 3 246.314 1.051 20 30 BDEDHN Cc1cc(C#N)cc(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159503034 971958725 /nfs/dbraw/zinc/95/87/25/971958725.db2.gz SHUGPMWBMZLBRO-PWSUYJOCSA-N 0 3 246.314 1.051 20 30 BDEDHN N#Cc1c[nH]c2cc(NC(=O)C3(N)CC3)ccc12 ZINC001219044324 971975853 /nfs/dbraw/zinc/97/58/53/971975853.db2.gz BJRNGUOWEIHSGW-UHFFFAOYSA-N 0 3 240.266 1.469 20 30 BDEDHN C#CCNCCNC(=O)CC(CC)CC ZINC001135855936 971980422 /nfs/dbraw/zinc/98/04/22/971980422.db2.gz KEVVBEMDFFOGDT-UHFFFAOYSA-N 0 3 210.321 1.152 20 30 BDEDHN COc1cc(C#N)c(F)cc1NC(=O)C1(N)CC1 ZINC001219107693 971984275 /nfs/dbraw/zinc/98/42/75/971984275.db2.gz PZYFIGDLKUIHLN-UHFFFAOYSA-N 0 3 249.245 1.136 20 30 BDEDHN C#CCNCCNC(=O)[C@H]1C[C@]1(CC)C(C)C ZINC001136084868 972029730 /nfs/dbraw/zinc/02/97/30/972029730.db2.gz SNAAZHGNCOLWLH-TZMCWYRMSA-N 0 3 236.359 1.398 20 30 BDEDHN CC#CCNCCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001136068839 972027119 /nfs/dbraw/zinc/02/71/19/972027119.db2.gz UDNAAHQUCJBQQE-NEPJUHHUSA-N 0 3 222.332 1.008 20 30 BDEDHN C#CCNCCNC(=O)[C@H]1C[C@@]1(CC)C(C)C ZINC001136084867 972029039 /nfs/dbraw/zinc/02/90/39/972029039.db2.gz SNAAZHGNCOLWLH-OCCSQVGLSA-N 0 3 236.359 1.398 20 30 BDEDHN C#CCNCCNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001136089766 972033935 /nfs/dbraw/zinc/03/39/35/972033935.db2.gz NNKMZOXRSBVTLD-YPMHNXCESA-N 0 3 222.332 1.008 20 30 BDEDHN SCCCNc1ccc2c(n1)OCCNC2 ZINC001171000814 972224429 /nfs/dbraw/zinc/22/44/29/972224429.db2.gz JAXPIHPUBDGMQZ-UHFFFAOYSA-N 0 3 239.344 1.295 20 30 BDEDHN C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc2[nH]ccc2c[nH+]1 ZINC001160173741 972233901 /nfs/dbraw/zinc/23/39/01/972233901.db2.gz SUKYNRKTETYEFN-CPCISQLKSA-N 0 3 246.270 1.211 20 30 BDEDHN Cc1cnc(C#N)c(NC2=CCN(C)CC2)c1 ZINC001208792871 957171145 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/nfs/dbraw/zinc/41/43/14/348414314.db2.gz CBKBVUGUUIPUHX-MDZLAQPJSA-N 0 3 235.331 1.137 20 30 BDEDHN CCN1CCCC[C@H]1CNc1cc(C#N)cnn1 ZINC000596118794 348443029 /nfs/dbraw/zinc/44/30/29/348443029.db2.gz DDGVMBHAWZOMCI-LBPRGKRZSA-N 0 3 245.330 1.056 20 30 BDEDHN CN(C[C@@H]1CCCN(C)C1)c1c(C#N)cnn1C ZINC000596129062 348446152 /nfs/dbraw/zinc/44/61/52/348446152.db2.gz LIFGSPILMMAHEZ-LLVKDONJSA-N 0 3 247.346 1.070 20 30 BDEDHN CN(c1cc(C#N)cnn1)[C@@H]1CCN(C2CC2)C1 ZINC000596123117 348454371 /nfs/dbraw/zinc/45/43/71/348454371.db2.gz OKYWRJDIEQXNMI-GFCCVEGCSA-N 0 3 243.314 1.021 20 30 BDEDHN CCC[C@@H](O)[C@@H](CO)NCc1cccc(C#N)c1 ZINC000419835172 192146510 /nfs/dbraw/zinc/14/65/10/192146510.db2.gz YALXPJBMYDJDRM-ZIAGYGMSSA-N 0 3 248.326 1.170 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)C1CCN(C)CC1 ZINC000596625751 348596209 /nfs/dbraw/zinc/59/62/09/348596209.db2.gz WOMBGTGCGKYKNK-SNVBAGLBSA-N 0 3 223.320 1.089 20 30 BDEDHN CC1(C)[C@H](NCc2ccnc(C#N)c2)C[C@@H]1O ZINC000128494545 348570674 /nfs/dbraw/zinc/57/06/74/348570674.db2.gz FNMONEOFKYWSKB-NEPJUHHUSA-N 0 3 231.299 1.202 20 30 BDEDHN CCN1CCC(N(C)C(=O)[C@H](C)CC#N)CC1 ZINC000597088380 348656675 /nfs/dbraw/zinc/65/66/75/348656675.db2.gz GUXCPTITVOTROM-LLVKDONJSA-N 0 3 237.347 1.479 20 30 BDEDHN N#CCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000597082739 348658954 /nfs/dbraw/zinc/65/89/54/348658954.db2.gz PBLMTHUURHQAML-UHFFFAOYSA-N 0 3 244.342 1.955 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000597308567 348715545 /nfs/dbraw/zinc/71/55/45/348715545.db2.gz FPQKLTRHDFRQRR-GRYCIOLGSA-N 0 3 237.347 1.477 20 30 BDEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC#N ZINC000597361561 348723161 /nfs/dbraw/zinc/72/31/61/348723161.db2.gz UARSOPINYUICRJ-XQQFMLRXSA-N 0 3 249.358 1.621 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000597207688 348679123 /nfs/dbraw/zinc/67/91/23/348679123.db2.gz GQCAEUWQXSDNPU-ZYHUDNBSSA-N 0 3 235.331 1.089 20 30 BDEDHN C[C@@H](CC#N)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000597207686 348679232 /nfs/dbraw/zinc/67/92/32/348679232.db2.gz GQCAEUWQXSDNPU-JQWIXIFHSA-N 0 3 235.331 1.089 20 30 BDEDHN C[C@H](O)C1(NCc2ccc(C#N)s2)CC1 ZINC000597233960 348700641 /nfs/dbraw/zinc/70/06/41/348700641.db2.gz DNRDADUBUDXNQB-QMMMGPOBSA-N 0 3 222.313 1.623 20 30 BDEDHN Cc1cc(CNC2([C@@H](C)O)CC2)ccc1C#N ZINC000597234428 348701407 /nfs/dbraw/zinc/70/14/07/348701407.db2.gz LHNPVKHYFUYMSC-LLVKDONJSA-N 0 3 230.311 1.870 20 30 BDEDHN C[C@@H](CC#N)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000597255963 348709502 /nfs/dbraw/zinc/70/95/02/348709502.db2.gz QPWAROOOOIQBDD-RYUDHWBXSA-N 0 3 237.347 1.336 20 30 BDEDHN C=CC[C@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000184279357 348778059 /nfs/dbraw/zinc/77/80/59/348778059.db2.gz VYRHTZJKTGQUQA-LLVKDONJSA-N 0 3 237.299 1.427 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000597686382 348779971 /nfs/dbraw/zinc/77/99/71/348779971.db2.gz GBGGHZSUZSSPIK-DGCLKSJQSA-N 0 3 235.331 1.090 20 30 BDEDHN CC#CCCCC(=O)N(C)C[C@H]1CCCN1C ZINC000421712856 192376237 /nfs/dbraw/zinc/37/62/37/192376237.db2.gz RMISVDUZMOBLEJ-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN CCN(C(=O)[C@H](C)CC#N)[C@H]1CCN(C)C1 ZINC000597945711 348846953 /nfs/dbraw/zinc/84/69/53/348846953.db2.gz JRLYCYYNOKWVAL-MNOVXSKESA-N 0 3 223.320 1.089 20 30 BDEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCCC#N ZINC000597860503 348829213 /nfs/dbraw/zinc/82/92/13/348829213.db2.gz NKIVJPFIPPRZFK-LLVKDONJSA-N 0 3 237.347 1.669 20 30 BDEDHN CC(C#N)C(=O)NCCc1noc2ccccc12 ZINC000597873442 348832522 /nfs/dbraw/zinc/83/25/22/348832522.db2.gz JJSHGPBEEMMJGD-VIFPVBQESA-N 0 3 243.266 1.646 20 30 BDEDHN CCCN(C)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597912065 348843007 /nfs/dbraw/zinc/84/30/07/348843007.db2.gz FJUGAUMTSMWYFI-GFCCVEGCSA-N 0 3 237.347 1.480 20 30 BDEDHN C=CC[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000597999593 348854122 /nfs/dbraw/zinc/85/41/22/348854122.db2.gz VDNAOHUCUOZOEM-QWRGUYRKSA-N 0 3 206.289 1.961 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1cscn1 ZINC000598014182 348869870 /nfs/dbraw/zinc/86/98/70/348869870.db2.gz DZZCDQMURWIGOO-NKWVEPMBSA-N 0 3 209.274 1.480 20 30 BDEDHN CCCN1CC[C@@H](NC(=O)[C@H](C)CC#N)C1 ZINC000598341452 348933347 /nfs/dbraw/zinc/93/33/47/348933347.db2.gz BUYQMRCLONAFHJ-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H](C)C#N ZINC000598357623 348942432 /nfs/dbraw/zinc/94/24/32/348942432.db2.gz AKWQFFRCIINFLT-TUAOUCFPSA-N 0 3 237.347 1.620 20 30 BDEDHN CC[C@@H](C(=O)N(CC)[C@H](C)C#N)N(CC)CC ZINC000598359052 348943493 /nfs/dbraw/zinc/94/34/93/348943493.db2.gz JHBYZCYJBTZLTG-NEPJUHHUSA-N 0 3 239.363 1.867 20 30 BDEDHN CC(C)N(C)CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000598131530 348898812 /nfs/dbraw/zinc/89/88/12/348898812.db2.gz ZHSCCHBOPXTLSX-JTQLQIEISA-N 0 3 223.320 1.230 20 30 BDEDHN C[C@@H](C#N)N(C(=O)CC1CCN(C)CC1)C1CC1 ZINC000598133230 348901149 /nfs/dbraw/zinc/90/11/49/348901149.db2.gz NMDPMZBCUFCCNK-NSHDSACASA-N 0 3 249.358 1.621 20 30 BDEDHN CC(C#N)C(=O)NCC[C@]1(C)CC1(F)F ZINC000598222123 348913964 /nfs/dbraw/zinc/91/39/64/348913964.db2.gz YXDTVDKFCYHVOV-VXNVDRBHSA-N 0 3 216.231 1.698 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598198726 348916622 /nfs/dbraw/zinc/91/66/22/348916622.db2.gz APKTWEDFBZNSLZ-GVXVVHGQSA-N 0 3 244.294 1.872 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)[C@@H](C)c1ccccc1 ZINC000598477871 348981091 /nfs/dbraw/zinc/98/10/91/348981091.db2.gz RBQXCELSPQZJJH-MDZLAQPJSA-N 0 3 246.310 1.427 20 30 BDEDHN CC(C#N)C(=O)N(C)CC1=CCSC1 ZINC000598515271 348987247 /nfs/dbraw/zinc/98/72/47/348987247.db2.gz VUBGAINYXAZZSV-MRVPVSSYSA-N 0 3 210.302 1.278 20 30 BDEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000598540214 348992178 /nfs/dbraw/zinc/99/21/78/348992178.db2.gz PKLNYLLOUDPHDN-SCVCMEIPSA-N 0 3 232.283 1.384 20 30 BDEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCS1 ZINC000598590285 348996877 /nfs/dbraw/zinc/99/68/77/348996877.db2.gz OOTPPIIOYWNNJQ-GHMZBOCLSA-N 0 3 242.388 1.724 20 30 BDEDHN CC(C)(C#N)C[C@H](O)CN1CCC(C)(O)CC1 ZINC000598592140 348997291 /nfs/dbraw/zinc/99/72/91/348997291.db2.gz GEKAXIBVTNARKV-NSHDSACASA-N 0 3 240.347 1.134 20 30 BDEDHN CC(C)(C#N)C[C@@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000598623190 349003531 /nfs/dbraw/zinc/00/35/31/349003531.db2.gz VLRJWPDUUNADMU-AXFHLTTASA-N 0 3 240.372 1.477 20 30 BDEDHN CC1(C)CC[C@@H](CO)N(CCCC#N)C1 ZINC000598647377 349011254 /nfs/dbraw/zinc/01/12/54/349011254.db2.gz LKMHPUABZVYPRN-NSHDSACASA-N 0 3 210.321 1.773 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)NCC[C@H]1CC1(F)F ZINC000598668866 349019063 /nfs/dbraw/zinc/01/90/63/349019063.db2.gz QQURTTVTFSZIAI-DTWKUNHWSA-N 0 3 245.273 1.169 20 30 BDEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)n[nH]1 ZINC000598721186 349027856 /nfs/dbraw/zinc/02/78/56/349027856.db2.gz SWSMBKGGCOFJFU-LLVKDONJSA-N 0 3 236.319 1.109 20 30 BDEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)[nH]n1 ZINC000598721186 349027859 /nfs/dbraw/zinc/02/78/59/349027859.db2.gz SWSMBKGGCOFJFU-LLVKDONJSA-N 0 3 236.319 1.109 20 30 BDEDHN CC(C#N)C(=O)NC[C@H]1CCc2cccnc21 ZINC000598951673 349071459 /nfs/dbraw/zinc/07/14/59/349071459.db2.gz WYJMEFJHGMUHPG-GXSJLCMTSA-N 0 3 229.283 1.387 20 30 BDEDHN C=CCC[C@@H](CO)NCc1oc(C)nc1C ZINC000628301761 349086340 /nfs/dbraw/zinc/08/63/40/349086340.db2.gz FNWLZSGWUIOARU-NSHDSACASA-N 0 3 224.304 1.708 20 30 BDEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000599092493 349092291 /nfs/dbraw/zinc/09/22/91/349092291.db2.gz IWUABKHISDJFQP-MDZLAQPJSA-N 0 3 247.342 1.422 20 30 BDEDHN C=C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000201505884 349097816 /nfs/dbraw/zinc/09/78/16/349097816.db2.gz BARPBKDPSNAITD-NSHDSACASA-N 0 3 208.305 1.307 20 30 BDEDHN C=CC[C@H](CO)NCc1cnc(N(C)C)s1 ZINC000273548683 192395493 /nfs/dbraw/zinc/39/54/93/192395493.db2.gz YJEGRVBICBCQCT-SECBINFHSA-N 0 3 241.360 1.236 20 30 BDEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccnc1 ZINC000599344274 349153665 /nfs/dbraw/zinc/15/36/65/349153665.db2.gz BJFKTPGVBAIQNZ-WCQYABFASA-N 0 3 245.326 1.787 20 30 BDEDHN C=C(CC)CN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599564514 349219137 /nfs/dbraw/zinc/21/91/37/349219137.db2.gz MRDGDNXZCBFGQD-LBPRGKRZSA-N 0 3 227.304 1.217 20 30 BDEDHN N#CC1(C[C@H](O)CN2CC(C3CC3)C2)CC1 ZINC000601958337 349401092 /nfs/dbraw/zinc/40/10/92/349401092.db2.gz MAPJGHROHYJLLP-LBPRGKRZSA-N 0 3 220.316 1.383 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601888271 349371893 /nfs/dbraw/zinc/37/18/93/349371893.db2.gz UQPJAGZYNCFWKL-ADEWGFFLSA-N 0 3 236.315 1.610 20 30 BDEDHN CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCCCN(C)C1=O ZINC000601970198 349407940 /nfs/dbraw/zinc/40/79/40/349407940.db2.gz MXNISQQYYYUJHP-XQQFMLRXSA-N 0 3 249.358 1.621 20 30 BDEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnccn1 ZINC000336727555 490285556 /nfs/dbraw/zinc/28/55/56/490285556.db2.gz BZVSWRACGFQKMZ-WDEREUQCSA-N 0 3 221.304 1.312 20 30 BDEDHN C[C@H](N[C@@H]1CC[C@H]1O)c1cccc(C#N)c1 ZINC000382333273 350108360 /nfs/dbraw/zinc/10/83/60/350108360.db2.gz XEIXHBVYFOGMDB-ZWKOPEQDSA-N 0 3 216.284 1.732 20 30 BDEDHN CO[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000309168625 350114516 /nfs/dbraw/zinc/11/45/16/350114516.db2.gz KDVZRAFNKWPROM-WDEREUQCSA-N 0 3 208.305 1.837 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000425018210 191028785 /nfs/dbraw/zinc/02/87/85/191028785.db2.gz UVSUKTKBMPDRSC-IRUJWGPZSA-N 0 3 232.258 1.900 20 30 BDEDHN N#Cc1cc(N[C@@H]2CCN(CC3CC3)C2)ncn1 ZINC000617950233 350155025 /nfs/dbraw/zinc/15/50/25/350155025.db2.gz XUFYPEAYLFUOQB-LLVKDONJSA-N 0 3 243.314 1.244 20 30 BDEDHN C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000604915505 350198767 /nfs/dbraw/zinc/19/87/67/350198767.db2.gz GXVFBAKAOSSJQB-MNOVXSKESA-N 0 3 225.336 1.344 20 30 BDEDHN C=CCCCN1CCC[C@H](NC(=O)CC)C1 ZINC000117875991 350227279 /nfs/dbraw/zinc/22/72/79/350227279.db2.gz WKWLVTDCNZDIHY-LBPRGKRZSA-N 0 3 224.348 1.943 20 30 BDEDHN C=C(C)CN1CC[C@H](OCCOCC)C1 ZINC000157757462 191094975 /nfs/dbraw/zinc/09/49/75/191094975.db2.gz UZLFXSOBCZBONA-LBPRGKRZSA-N 0 3 213.321 1.690 20 30 BDEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccnn1C ZINC000618567934 350365222 /nfs/dbraw/zinc/36/52/22/350365222.db2.gz KETHCCULDQMITO-NSHDSACASA-N 0 3 247.346 1.059 20 30 BDEDHN C=CCCN(C)C[C@H](C)CS(C)(=O)=O ZINC000336676134 350438065 /nfs/dbraw/zinc/43/80/65/350438065.db2.gz CFNKLPNKUOOWEO-JTQLQIEISA-N 0 3 219.350 1.175 20 30 BDEDHN C[C@H]1CN(C)CCN1CCCSCC#N ZINC000336647271 350417431 /nfs/dbraw/zinc/41/74/31/350417431.db2.gz LXHAWWVQWRSTPD-NSHDSACASA-N 0 3 227.377 1.269 20 30 BDEDHN CC[C@H](C[C@H](C)CO)NC[C@@H](C#N)CCC#N ZINC000571680669 323345732 /nfs/dbraw/zinc/34/57/32/323345732.db2.gz CAIRDKDUHVJOMO-YNEHKIRRSA-N 0 3 237.347 1.817 20 30 BDEDHN C=CC[C@@H](CC)NC(=O)CN(C)CCC ZINC000337083553 350551062 /nfs/dbraw/zinc/55/10/62/350551062.db2.gz BPDWBROTMVFKFA-LLVKDONJSA-N 0 3 212.337 1.799 20 30 BDEDHN C=CCCn1cc(CNC[C@@H]2CCCN2C)nn1 ZINC000623787045 362970449 /nfs/dbraw/zinc/97/04/49/362970449.db2.gz WKHYADPVEFIJTD-ZDUSSCGKSA-N 0 3 249.362 1.038 20 30 BDEDHN C=CCN(CC=C)C(=O)CN(C)C(C)C ZINC000152286659 166328338 /nfs/dbraw/zinc/32/83/38/166328338.db2.gz WKFCMORXJKSUIO-UHFFFAOYSA-N 0 3 210.321 1.527 20 30 BDEDHN C=C(C)CN1CCN([C@@H]2CCSC2)CC1 ZINC000365868371 350650219 /nfs/dbraw/zinc/65/02/19/350650219.db2.gz MBTDRQWFIAWGHP-GFCCVEGCSA-N 0 3 226.389 1.686 20 30 BDEDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C#N)CN1C1CC1 ZINC000177142714 365983886 /nfs/dbraw/zinc/98/38/86/365983886.db2.gz YUXUZSUHDIYUOK-NXEZZACHSA-N 0 3 235.331 1.278 20 30 BDEDHN CNC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000232285122 350657568 /nfs/dbraw/zinc/65/75/68/350657568.db2.gz OWUDOVAFBHEESW-LLVKDONJSA-N 0 3 235.331 1.138 20 30 BDEDHN N#C[C@@H]1CCC[C@@H](NC2COCCOC2)C1 ZINC000309513076 350693929 /nfs/dbraw/zinc/69/39/29/350693929.db2.gz QHGNBWIIMJLEIW-GHMZBOCLSA-N 0 3 224.304 1.074 20 30 BDEDHN N#C[C@H]1CCC[C@@H](NC2COCCOC2)C1 ZINC000309513081 350694009 /nfs/dbraw/zinc/69/40/09/350694009.db2.gz QHGNBWIIMJLEIW-WDEREUQCSA-N 0 3 224.304 1.074 20 30 BDEDHN CN(CC1(CO)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339111949 350735008 /nfs/dbraw/zinc/73/50/08/350735008.db2.gz JOUNPJIIGNVAKY-MNOVXSKESA-N 0 3 208.305 1.383 20 30 BDEDHN C[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H](C)N1C ZINC000339612297 350767732 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BDEDHN C=CCN(CCc1cnn(C)c1)C1CC1 ZINC000271485918 166344767 /nfs/dbraw/zinc/34/47/67/166344767.db2.gz TWFCWFWAOAMKDU-UHFFFAOYSA-N 0 3 205.305 1.613 20 30 BDEDHN N#CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000411630293 191199164 /nfs/dbraw/zinc/19/91/64/191199164.db2.gz HQHOYZHDKXAQBO-IJLUTSLNSA-N 0 3 220.316 1.837 20 30 BDEDHN N#CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000411630304 191199788 /nfs/dbraw/zinc/19/97/88/191199788.db2.gz HQHOYZHDKXAQBO-TUAOUCFPSA-N 0 3 220.316 1.837 20 30 BDEDHN C=CCN(C)CCN(CC)CCn1ccnc1 ZINC000411645623 191202723 /nfs/dbraw/zinc/20/27/23/191202723.db2.gz TUMJHRRXLJYHQT-UHFFFAOYSA-N 0 3 236.363 1.323 20 30 BDEDHN C=CCN(C)CCN(CC)C[C@@H]1CCCO1 ZINC000411642434 191202871 /nfs/dbraw/zinc/20/28/71/191202871.db2.gz NDIRSPJTNVBLPG-ZDUSSCGKSA-N 0 3 226.364 1.605 20 30 BDEDHN COC[C@H](NCc1cc(C#N)n(C)c1)C(C)C ZINC000232315377 352619175 /nfs/dbraw/zinc/61/91/75/352619175.db2.gz SYGUMTZKVVRPSE-ZDUSSCGKSA-N 0 3 235.331 1.657 20 30 BDEDHN N#CC1(CN2CCC[C@@H]3COCC[C@@H]32)CC1 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BDEDHN CC[C@H]1CN(C)CCN1Cc1cc(C#N)n(C)c1 ZINC000552137808 388575310 /nfs/dbraw/zinc/57/53/10/388575310.db2.gz NPSIHETUADEFKB-ZDUSSCGKSA-N 0 3 246.358 1.423 20 30 BDEDHN CN(CCCCO)CCOc1cccc(C#N)c1 ZINC000310558348 388669543 /nfs/dbraw/zinc/66/95/43/388669543.db2.gz BKPHXWCBXCKHFN-UHFFFAOYSA-N 0 3 248.326 1.641 20 30 BDEDHN CCN(C)CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130667594 388673493 /nfs/dbraw/zinc/67/34/93/388673493.db2.gz QDBJNNPTTJDUFD-UHFFFAOYSA-N 0 3 248.286 1.830 20 30 BDEDHN CC(C)N(CCN(C)C)c1ccc(C#N)nn1 ZINC000302219093 388620680 /nfs/dbraw/zinc/62/06/80/388620680.db2.gz LPFKKEOYDGECMX-UHFFFAOYSA-N 0 3 233.319 1.125 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000246212614 388623657 /nfs/dbraw/zinc/62/36/57/388623657.db2.gz KLXBCAZBCULUNW-MNOVXSKESA-N 0 3 210.321 1.409 20 30 BDEDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000037751508 388627800 /nfs/dbraw/zinc/62/78/00/388627800.db2.gz NWWXEOFJICDYRM-LLVKDONJSA-N 0 3 245.326 1.687 20 30 BDEDHN CCOCCNCc1cnc2ccc(C#N)cn12 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/nfs/dbraw/zinc/87/89/43/588878943.db2.gz VQSFTUYCICSYCN-UHFFFAOYSA-N 0 3 249.314 1.228 20 30 BDEDHN CN1C[C@@H]2CCN(c3cccc(F)c3C#N)[C@@H]2C1 ZINC000893939151 583254971 /nfs/dbraw/zinc/25/49/71/583254971.db2.gz HYPRGEJTWUIQNK-IINYFYTJSA-N 0 3 245.301 1.838 20 30 BDEDHN C#CCN(C)CCCNc1cccc([C@@H](C)O)n1 ZINC000893988758 583269726 /nfs/dbraw/zinc/26/97/26/583269726.db2.gz KUCZIEHELJOTTQ-GFCCVEGCSA-N 0 3 247.342 1.502 20 30 BDEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000878423233 583373804 /nfs/dbraw/zinc/37/38/04/583373804.db2.gz QDGZWZHXFJDOCM-NSHDSACASA-N 0 3 236.359 1.942 20 30 BDEDHN C#CC(C)(C)N(C)CCc1ccc(C(N)=O)cc1 ZINC000878513621 583378086 /nfs/dbraw/zinc/37/80/86/583378086.db2.gz DRQHRIFKKPYXPO-UHFFFAOYSA-N 0 3 244.338 1.672 20 30 BDEDHN C=CC[C@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878690081 583393940 /nfs/dbraw/zinc/39/39/40/583393940.db2.gz LWRAHYYHJARGFS-RYUDHWBXSA-N 0 3 239.363 1.687 20 30 BDEDHN CC#CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000894272067 583403412 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/nfs/dbraw/zinc/55/76/84/583557684.db2.gz USVMPCGTXVEWMZ-LLVKDONJSA-N 0 3 235.331 1.389 20 30 BDEDHN C#C[C@@H](CC)NC(=O)NCCN1CCC[C@@H]1C ZINC000894937424 583558298 /nfs/dbraw/zinc/55/82/98/583558298.db2.gz PJCSFTHURDFFNV-RYUDHWBXSA-N 0 3 237.347 1.182 20 30 BDEDHN C#C[C@H](CC)NC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000894938266 583558621 /nfs/dbraw/zinc/55/86/21/583558621.db2.gz ZRUQFOVXBCAGAH-AGIUHOORSA-N 0 3 249.358 1.276 20 30 BDEDHN CC[C@H](C)CON=Cc1cnc(N(C)C)n1C ZINC000793158480 583571116 /nfs/dbraw/zinc/57/11/16/583571116.db2.gz HNJXIXQCNRSDJX-JTQLQIEISA-N 0 3 238.335 1.883 20 30 BDEDHN C=CCCCC[C@H](C)NCC(=O)N(C)OC ZINC000895046756 583572229 /nfs/dbraw/zinc/57/22/29/583572229.db2.gz TVEJEHDLONOIRM-NSHDSACASA-N 0 3 228.336 1.731 20 30 BDEDHN CCC[C@@H]1CN(c2ncccc2C#N)CCN1 ZINC000895059079 583576194 /nfs/dbraw/zinc/57/61/94/583576194.db2.gz RDPSXLVHSNLYTE-GFCCVEGCSA-N 0 3 230.315 1.532 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C#N)C(C)(C)C ZINC000793822166 583591210 /nfs/dbraw/zinc/59/12/10/583591210.db2.gz AAXVHAAAPSMVLW-SNVBAGLBSA-N 0 3 223.320 1.159 20 30 BDEDHN CC#CC[C@@H](CO)NCc1cnc(F)cc1C ZINC000895132333 583601489 /nfs/dbraw/zinc/60/14/89/583601489.db2.gz ROADWGXCFCHLKX-LBPRGKRZSA-N 0 3 236.290 1.393 20 30 BDEDHN CC[C@@H](CNCC#Cc1ccccc1)C(=O)OC ZINC000895136026 583602259 /nfs/dbraw/zinc/60/22/59/583602259.db2.gz QXZBITSUJRWLOX-AWEZNQCLSA-N 0 3 245.322 1.827 20 30 BDEDHN CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157667 583607821 /nfs/dbraw/zinc/60/78/21/583607821.db2.gz DLZBBSPYUGJSSH-UTLUCORTSA-N 0 3 212.293 1.145 20 30 BDEDHN CC1(C[NH2+][C@H]2CCCN([O-])C2=O)CCCC1 ZINC000895156955 583608147 /nfs/dbraw/zinc/60/81/47/583608147.db2.gz JGADFULAURQXEF-JTQLQIEISA-N 0 3 226.320 1.537 20 30 BDEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1C1CC1 ZINC000895158242 583608373 /nfs/dbraw/zinc/60/83/73/583608373.db2.gz YGTXHLVMXOXLFD-VGDYDELISA-N 0 3 238.331 1.391 20 30 BDEDHN C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895158761 583608387 /nfs/dbraw/zinc/60/83/87/583608387.db2.gz NPVTXEPURJZHNU-WRWGMCAJSA-N 0 3 240.347 1.781 20 30 BDEDHN O=C1[C@@H]([NH2+][C@@H]2CCCC23CCC3)CCCN1[O-] ZINC000895158483 583608547 /nfs/dbraw/zinc/60/85/47/583608547.db2.gz KDQGTEYHFSEKLZ-WDEREUQCSA-N 0 3 238.331 1.679 20 30 BDEDHN CCCCC[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159837 583609332 /nfs/dbraw/zinc/60/93/32/583609332.db2.gz JCHHYWAZMNZGSV-WDEREUQCSA-N 0 3 228.336 1.925 20 30 BDEDHN C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161785 583610418 /nfs/dbraw/zinc/61/04/18/583610418.db2.gz UITGJHYAOLHKAK-GMTAPVOTSA-N 0 3 240.347 1.781 20 30 BDEDHN O=C1[C@@H]([NH2+]CC2CCCCC2)CCCN1[O-] ZINC000895162883 583610913 /nfs/dbraw/zinc/61/09/13/583610913.db2.gz OVUWIITUYYSDNY-NSHDSACASA-N 0 3 226.320 1.537 20 30 BDEDHN C[C@H]1C[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C[C@@H](C)C1 ZINC000895162676 583610929 /nfs/dbraw/zinc/61/09/29/583610929.db2.gz NAIUMGUGGDSKQT-QCNOEVLYSA-N 0 3 240.347 1.781 20 30 BDEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895178622 583616689 /nfs/dbraw/zinc/61/66/89/583616689.db2.gz WRWLJJUKGQXQOF-LPEHRKFASA-N 0 3 238.335 1.772 20 30 BDEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178720 583616721 /nfs/dbraw/zinc/61/67/21/583616721.db2.gz XRPMASUYHSDCEY-AEJSXWLSSA-N 0 3 249.318 1.254 20 30 BDEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178725 583616822 /nfs/dbraw/zinc/61/68/22/583616822.db2.gz XRPMASUYHSDCEY-LPEHRKFASA-N 0 3 249.318 1.254 20 30 BDEDHN C#C[C@H]1CCCCN1C(=O)NC[C@H](C)N(C)C ZINC000895209198 583626208 /nfs/dbraw/zinc/62/62/08/583626208.db2.gz REUMMZWAFDDQQJ-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN Cc1ccc(NN=Cc2nccn2C)nc1 ZINC000727260254 583626960 /nfs/dbraw/zinc/62/69/60/583626960.db2.gz UMIKACJJLPRJIQ-UHFFFAOYSA-N 0 3 215.260 1.570 20 30 BDEDHN C=C[C@H](CO)N[C@H](C)CC1(C#N)CCOCC1 ZINC000895340666 583654487 /nfs/dbraw/zinc/65/44/87/583654487.db2.gz ZQQZSBLTRPPLSA-VXGBXAGGSA-N 0 3 238.331 1.222 20 30 BDEDHN C#CC[C@H](COC)N[C@@H]1COC2(CCC2)C1 ZINC000895671510 583706143 /nfs/dbraw/zinc/70/61/43/583706143.db2.gz IISAIKSOGYWMPY-NEPJUHHUSA-N 0 3 223.316 1.326 20 30 BDEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000895679989 583708690 /nfs/dbraw/zinc/70/86/90/583708690.db2.gz ILFZAJNZVNXSPM-LLVKDONJSA-N 0 3 224.348 1.799 20 30 BDEDHN C=CC(C)(C)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000895841720 583734408 /nfs/dbraw/zinc/73/44/08/583734408.db2.gz SKMVLEQLJNKUNY-LLVKDONJSA-N 0 3 239.363 1.735 20 30 BDEDHN COC(=O)N[C@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000895849197 583736868 /nfs/dbraw/zinc/73/68/68/583736868.db2.gz UKQNKGSQDMJBPK-MNOVXSKESA-N 0 3 239.319 1.357 20 30 BDEDHN C#CC[C@H](CO)NCc1cnc(F)cc1C ZINC000895964807 583753829 /nfs/dbraw/zinc/75/38/29/583753829.db2.gz ONVFQYOZKOQXDS-LLVKDONJSA-N 0 3 222.263 1.003 20 30 BDEDHN N#Cc1cc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)cs1 ZINC000896045197 583765665 /nfs/dbraw/zinc/76/56/65/583765665.db2.gz DENGPQMYUFZHRR-KGYLQXTDSA-N 0 3 248.351 1.822 20 30 BDEDHN C=CCN1CCC(NC(=O)C2(C3CC3)CC2)CC1 ZINC000896208378 583782104 /nfs/dbraw/zinc/78/21/04/583782104.db2.gz FVTRXJKXBYYAIU-UHFFFAOYSA-N 0 3 248.370 1.943 20 30 BDEDHN CN1CCC2(CCN2c2cc(C#N)cnn2)CC1 ZINC000897132936 583882840 /nfs/dbraw/zinc/88/28/40/583882840.db2.gz DIVVFKLRXVADAW-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN CN1CCC2(CCN2c2ccncc2C#N)CC1 ZINC000897133068 583883006 /nfs/dbraw/zinc/88/30/06/583883006.db2.gz FDPKDVHQZNRWIY-UHFFFAOYSA-N 0 3 242.326 1.628 20 30 BDEDHN CC#CCN(C)C[C@H](OC)C1CCOCC1 ZINC000897168742 583888553 /nfs/dbraw/zinc/88/85/53/583888553.db2.gz FCVLQLLYLUNDIQ-ZDUSSCGKSA-N 0 3 225.332 1.383 20 30 BDEDHN C#C[C@H]1CCCCN1c1ccnc(CO)c1 ZINC000897361024 583938957 /nfs/dbraw/zinc/93/89/57/583938957.db2.gz XBZCWKXLSBTMPC-LBPRGKRZSA-N 0 3 216.284 1.566 20 30 BDEDHN C#CCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000858217522 588939073 /nfs/dbraw/zinc/93/90/73/588939073.db2.gz APKAZIJFTQYYTH-ZDUSSCGKSA-N 0 3 249.358 1.326 20 30 BDEDHN CCC(=NN(C)[C@@H](C)CO)c1ccc(N)cc1 ZINC000863122391 583978877 /nfs/dbraw/zinc/97/88/77/583978877.db2.gz FMSVZUKZAOSXCY-JTQLQIEISA-N 0 3 235.331 1.696 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cccnc1C ZINC000858334367 588946548 /nfs/dbraw/zinc/94/65/48/588946548.db2.gz UZNQFKMTZVOWIS-AWEZNQCLSA-N 0 3 232.327 1.908 20 30 BDEDHN C#CC[C@H](COC)NCc1ccc2[nH]cnc2c1 ZINC000858335413 588947361 /nfs/dbraw/zinc/94/73/61/588947361.db2.gz UIQLADSKTWTCPE-GFCCVEGCSA-N 0 3 243.310 1.691 20 30 BDEDHN C#CC[C@H](COC)NCc1ccc2nc[nH]c2c1 ZINC000858335413 588947363 /nfs/dbraw/zinc/94/73/63/588947363.db2.gz UIQLADSKTWTCPE-GFCCVEGCSA-N 0 3 243.310 1.691 20 30 BDEDHN C=CCCN(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897516193 583999973 /nfs/dbraw/zinc/99/99/73/583999973.db2.gz BFFXLTZLXRDPLT-NSHDSACASA-N 0 3 224.348 1.894 20 30 BDEDHN C=C(C)CN1CCC(NC(=S)NC)CC1 ZINC000729942629 584031143 /nfs/dbraw/zinc/03/11/43/584031143.db2.gz PVOFFGHIHJFMFC-UHFFFAOYSA-N 0 3 227.377 1.121 20 30 BDEDHN C#CCOc1ccccc1CN1C[C@H](C)[C@H](O)C1 ZINC000897685744 584041042 /nfs/dbraw/zinc/04/10/42/584041042.db2.gz RLGNIMQTGCFVMU-GXTWGEPZSA-N 0 3 245.322 1.511 20 30 BDEDHN OCCC1CC(NCC#Cc2ccccc2)C1 ZINC000898015788 584074592 /nfs/dbraw/zinc/07/45/92/584074592.db2.gz SJWBYHCKIWRWDT-UHFFFAOYSA-N 0 3 229.323 1.789 20 30 BDEDHN N#Cc1cc(CNCC[C@H](O)C2CC2)cs1 ZINC000898195643 584096884 /nfs/dbraw/zinc/09/68/84/584096884.db2.gz YFWCILYAXWIIFP-LBPRGKRZSA-N 0 3 236.340 1.870 20 30 BDEDHN C=CC(C)(C)NCc1cnc2cnccn12 ZINC000898457041 584136871 /nfs/dbraw/zinc/13/68/71/584136871.db2.gz JZRYIXLVPUGKLI-UHFFFAOYSA-N 0 3 216.288 1.784 20 30 BDEDHN C=C1CN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000898696766 584154663 /nfs/dbraw/zinc/15/46/63/584154663.db2.gz ZEUPUCXZKUWLIF-UHFFFAOYSA-N 0 3 230.311 1.760 20 30 BDEDHN C#CC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000899077953 584175343 /nfs/dbraw/zinc/17/53/43/584175343.db2.gz FTVDMGADPPVVCR-MNOVXSKESA-N 0 3 234.299 1.458 20 30 BDEDHN C=CCC[C@H](CO)Nc1ccnc(CO)c1 ZINC000858564608 588966684 /nfs/dbraw/zinc/96/66/84/588966684.db2.gz QMNCMGFXFKPIQE-LLVKDONJSA-N 0 3 222.288 1.313 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899627051 584221513 /nfs/dbraw/zinc/22/15/13/584221513.db2.gz GBNYCZKVMZVTGH-VWYCJHECSA-N 0 3 222.288 1.174 20 30 BDEDHN CC(C#N)C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899685319 584224191 /nfs/dbraw/zinc/22/41/91/584224191.db2.gz CEDGUTCGGSQMGG-JTQLQIEISA-N 0 3 236.315 1.348 20 30 BDEDHN C=CCCC[C@@H](N)c1nc([C@@H]2CCCN2)no1 ZINC000900010344 584265565 /nfs/dbraw/zinc/26/55/65/584265565.db2.gz QDCNCRMMMKFDBD-ZJUUUORDSA-N 0 3 236.319 1.850 20 30 BDEDHN CS[C@@H]1CCCC(=Nn2cnnc2)C1 ZINC000901119942 584386468 /nfs/dbraw/zinc/38/64/68/584386468.db2.gz QUOWSNZQXZOSMK-SECBINFHSA-N 0 3 210.306 1.788 20 30 BDEDHN C[C@H]1CC(N=Nc2ccnn2C)CN1C1CC1 ZINC000901219432 584402515 /nfs/dbraw/zinc/40/25/15/584402515.db2.gz AAKGYSQSIDCUCT-VIFPVBQESA-N 0 3 233.319 1.445 20 30 BDEDHN C[C@@H]1CC(N=Nc2ccnn2C)CCN1C ZINC000901220074 584403237 /nfs/dbraw/zinc/40/32/37/584403237.db2.gz JGTJEJNRIUMNJZ-SECBINFHSA-N 0 3 221.308 1.302 20 30 BDEDHN C#CCCOC(=O)NCCN1CCCC[C@@H]1C ZINC000858902800 588983591 /nfs/dbraw/zinc/98/35/91/588983591.db2.gz UIMPOCUCPSNQJE-LBPRGKRZSA-N 0 3 238.331 1.610 20 30 BDEDHN CN(C)CCSCc1cc(C#N)ccn1 ZINC000901509922 584456640 /nfs/dbraw/zinc/45/66/40/584456640.db2.gz VLFQXIPOIUDYRJ-UHFFFAOYSA-N 0 3 221.329 1.748 20 30 BDEDHN C=CCN1CCC(NC(=O)OCCC)CC1 ZINC000858950845 588986822 /nfs/dbraw/zinc/98/68/22/588986822.db2.gz PUAUTTIPSSWQIE-UHFFFAOYSA-N 0 3 226.320 1.773 20 30 BDEDHN CC1(C)CCN(CCNC[C@@H](C#N)CCC#N)C1 ZINC000901686405 584481282 /nfs/dbraw/zinc/48/12/82/584481282.db2.gz UUXHTFSDUDGMHW-CYBMUJFWSA-N 0 3 248.374 1.751 20 30 BDEDHN C=C[C@@H](NCCN1CCC(C)(C)C1)C(=O)OC ZINC000901686418 584481356 /nfs/dbraw/zinc/48/13/56/584481356.db2.gz VFFXVCPGXQGGOS-LLVKDONJSA-N 0 3 240.347 1.036 20 30 BDEDHN C#CCCOC(=O)NCCN(C)CCCC ZINC000858979825 588988153 /nfs/dbraw/zinc/98/81/53/588988153.db2.gz UPIVUNGLPNKCBJ-UHFFFAOYSA-N 0 3 226.320 1.468 20 30 BDEDHN C=CCN(C)Cn1cc(OC)c(=O)cc1C ZINC000902228997 584542081 /nfs/dbraw/zinc/54/20/81/584542081.db2.gz OCNPSKSMOUYFNM-UHFFFAOYSA-N 0 3 222.288 1.241 20 30 BDEDHN C[C@H](NCC1(O)CCC1)c1cc(C#N)ccn1 ZINC000902800403 584675233 /nfs/dbraw/zinc/67/52/33/584675233.db2.gz NBTCJKNQMBJVAW-JTQLQIEISA-N 0 3 231.299 1.519 20 30 BDEDHN COC[C@@H](NCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000903101906 584727693 /nfs/dbraw/zinc/72/76/93/584727693.db2.gz PINBXWNXTADMCQ-NWDGAFQWSA-N 0 3 240.347 1.567 20 30 BDEDHN C[C@@H](NCC1(C#N)CC1)[C@@]1(C)CCCO1 ZINC000903106844 584728399 /nfs/dbraw/zinc/72/83/99/584728399.db2.gz WRUIHUZZIGHMMZ-GHMZBOCLSA-N 0 3 208.305 1.837 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@H]1OC)[C@H]1CCCO1 ZINC000903151494 584732369 /nfs/dbraw/zinc/73/23/69/584732369.db2.gz GBKSEPZVVTUXKB-UMSGYPCISA-N 0 3 223.316 1.324 20 30 BDEDHN Cc1cc(N(C)C)ccc1C=NN(C)[C@H](C)CO ZINC000842538459 584900202 /nfs/dbraw/zinc/90/02/02/584900202.db2.gz KMSPTQVCHUTWOP-GFCCVEGCSA-N 0 3 249.358 1.708 20 30 BDEDHN CC(=NN(C)[C@@H](C)CO)c1ccc(N)cc1 ZINC000842545082 584904298 /nfs/dbraw/zinc/90/42/98/584904298.db2.gz ZHKKOBLCLSVRHL-VIFPVBQESA-N 0 3 221.304 1.305 20 30 BDEDHN C#CC[C@H]1CCCN(CC(=O)NCCCC)C1 ZINC000829768230 584907787 /nfs/dbraw/zinc/90/77/87/584907787.db2.gz ABKSNTSCFPRXMH-ZDUSSCGKSA-N 0 3 236.359 1.638 20 30 BDEDHN C#CC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000838185660 585049180 /nfs/dbraw/zinc/04/91/80/585049180.db2.gz ZVKJHDLSHWJEBK-UHFFFAOYSA-N 0 3 236.340 1.272 20 30 BDEDHN C=CCN(C(=O)NC[C@H](C)N(C)C)C(C)C ZINC000838685264 585064429 /nfs/dbraw/zinc/06/44/29/585064429.db2.gz RCUVBINSVXGNNU-NSHDSACASA-N 0 3 227.352 1.543 20 30 BDEDHN C=CCONC(=O)NC1CCN(CC=C)CC1 ZINC000838706792 585065566 /nfs/dbraw/zinc/06/55/66/585065566.db2.gz CFCXPQBVINNYFC-UHFFFAOYSA-N 0 3 239.319 1.054 20 30 BDEDHN N#Cc1cccc(C2(NC[C@@H](O)C3CC3)CC2)c1 ZINC000838911934 585078035 /nfs/dbraw/zinc/07/80/35/585078035.db2.gz CAHLENZYBGLSQV-CQSZACIVSA-N 0 3 242.322 1.908 20 30 BDEDHN CC(C)N(CC(=O)NCCC#N)C1CCC1 ZINC000740886705 585108154 /nfs/dbraw/zinc/10/81/54/585108154.db2.gz YAQULSWCHFZMGT-UHFFFAOYSA-N 0 3 223.320 1.279 20 30 BDEDHN C=CCOC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741014536 585109123 /nfs/dbraw/zinc/10/91/23/585109123.db2.gz VUXGLWYDJABTNJ-NSHDSACASA-N 0 3 211.305 1.836 20 30 BDEDHN CC1(C)CCCN(CC(=O)NCCC#N)CC1 ZINC000741806448 585119749 /nfs/dbraw/zinc/11/97/49/585119749.db2.gz YWAYGAUEWHYKKB-UHFFFAOYSA-N 0 3 237.347 1.528 20 30 BDEDHN C#CC[C@H]1CCN([C@H]2CCN(CC=C)C2=O)C1 ZINC000886364142 585134391 /nfs/dbraw/zinc/13/43/91/585134391.db2.gz PPONASZCXPJVKW-STQMWFEESA-N 0 3 232.327 1.119 20 30 BDEDHN N=C(N)N=NC1Cc2ccc(Cl)cc2C1 ZINC000743418512 585136737 /nfs/dbraw/zinc/13/67/37/585136737.db2.gz ZJBKKJHTDBEUBK-UHFFFAOYSA-N 0 3 222.679 1.278 20 30 BDEDHN C#CCCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000745856095 585161272 /nfs/dbraw/zinc/16/12/72/585161272.db2.gz ARRLTDBHGDVSBA-VXGBXAGGSA-N 0 3 237.347 1.182 20 30 BDEDHN CCCN(CC(=O)NCCC#N)CC(C)C ZINC000746145768 585163684 /nfs/dbraw/zinc/16/36/84/585163684.db2.gz OYACNRYQQPZSGQ-UHFFFAOYSA-N 0 3 225.336 1.384 20 30 BDEDHN CO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000752089734 585242095 /nfs/dbraw/zinc/24/20/95/585242095.db2.gz YICNGFKYJLNDTR-CQSZACIVSA-N 0 3 246.310 1.810 20 30 BDEDHN C[C@@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000752156826 585242958 /nfs/dbraw/zinc/24/29/58/585242958.db2.gz HJCIPFCHDJWCMT-SECBINFHSA-N 0 3 248.286 1.944 20 30 BDEDHN C[C@H]1CN(C)CC1N=Nc1ccc(C#N)cc1 ZINC000752161077 585243472 /nfs/dbraw/zinc/24/34/72/585243472.db2.gz PEEWTTWVKBFEBM-JTQLQIEISA-N 0 3 228.299 1.908 20 30 BDEDHN COCCON=Cc1ccc2c(c1)CCN2C ZINC000752732187 585249284 /nfs/dbraw/zinc/24/92/84/585249284.db2.gz QRQSDTOFARUDAQ-UHFFFAOYSA-N 0 3 234.299 1.676 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCc1ccoc1 ZINC000753396116 585258018 /nfs/dbraw/zinc/25/80/18/585258018.db2.gz SYGSHUXPVNZFPX-LLVKDONJSA-N 0 3 246.266 1.223 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccnc1 ZINC000753938637 585272396 /nfs/dbraw/zinc/27/23/96/585272396.db2.gz LGJDYUWWGFDLEZ-VXGBXAGGSA-N 0 3 243.314 1.276 20 30 BDEDHN C#CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000754004512 585275116 /nfs/dbraw/zinc/27/51/16/585275116.db2.gz JJNAWQXIKMDBJS-GFCCVEGCSA-N 0 3 244.338 1.865 20 30 BDEDHN C#CCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000757933558 585347129 /nfs/dbraw/zinc/34/71/29/585347129.db2.gz WLZXBKQAMNBGTO-CQSZACIVSA-N 0 3 248.370 1.877 20 30 BDEDHN C(=NNC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000758133671 585350342 /nfs/dbraw/zinc/35/03/42/585350342.db2.gz RBHKFZFTAHLFFU-UHFFFAOYSA-N 0 3 245.326 1.609 20 30 BDEDHN CCN1CCC(=NOCC(F)F)[C@@H](C)C1 ZINC000758906969 585362461 /nfs/dbraw/zinc/36/24/61/585362461.db2.gz PLSOTGYEDBHDPV-QMMMGPOBSA-N 0 3 220.263 1.986 20 30 BDEDHN C#CCCCNCc1cc2c(cc1OC)OCO2 ZINC000759155416 585364616 /nfs/dbraw/zinc/36/46/16/585364616.db2.gz CFVGVJBIOTWVKK-UHFFFAOYSA-N 0 3 247.294 1.927 20 30 BDEDHN CCC(=NNC(=N)N)c1ccc(N(C)C)cc1 ZINC000759179103 585364854 /nfs/dbraw/zinc/36/48/54/585364854.db2.gz IXVYHKMRKZOMFV-UHFFFAOYSA-N 0 3 233.319 1.350 20 30 BDEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)C ZINC000760237353 585387135 /nfs/dbraw/zinc/38/71/35/585387135.db2.gz JSSVZGCNTLQQBN-GFCCVEGCSA-N 0 3 222.332 1.343 20 30 BDEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)C ZINC000760237355 585387224 /nfs/dbraw/zinc/38/72/24/585387224.db2.gz JSSVZGCNTLQQBN-LBPRGKRZSA-N 0 3 222.332 1.343 20 30 BDEDHN C[C@@H]1CC(N=Nc2ncc(F)cn2)CCN1C ZINC000760266387 585387948 /nfs/dbraw/zinc/38/79/48/585387948.db2.gz WLLQWKNSVZGBST-MRVPVSSYSA-N 0 3 237.282 1.498 20 30 BDEDHN C#CCCCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000760329778 585390331 /nfs/dbraw/zinc/39/03/31/585390331.db2.gz PPEOTPZMMLFCIS-LBPRGKRZSA-N 0 3 224.348 1.492 20 30 BDEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2ccncn2)O1 ZINC000760338064 585390587 /nfs/dbraw/zinc/39/05/87/585390587.db2.gz DFSBIVPCJRJMGB-CKYFFXLPSA-N 0 3 245.282 1.610 20 30 BDEDHN C=CCCOCC(=O)C(C#N)c1ccncn1 ZINC000760353778 585391327 /nfs/dbraw/zinc/39/13/27/585391327.db2.gz RNOLBKZLFPWTCF-JTQLQIEISA-N 0 3 231.255 1.246 20 30 BDEDHN C#CCCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000760396800 585391851 /nfs/dbraw/zinc/39/18/51/585391851.db2.gz SUKUXEPRIRJKRN-GFCCVEGCSA-N 0 3 222.332 1.248 20 30 BDEDHN C#CCCCC(=O)NCCN1CC=C(C)CC1 ZINC000760512126 585393540 /nfs/dbraw/zinc/39/35/40/585393540.db2.gz QJNASCRWPSZOQO-UHFFFAOYSA-N 0 3 234.343 1.558 20 30 BDEDHN C=CCN(CC[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000760819792 585398020 /nfs/dbraw/zinc/39/80/20/585398020.db2.gz WFZAAFGMDQNWOG-GFCCVEGCSA-N 0 3 245.388 1.708 20 30 BDEDHN C#CCCN1CCC(O[C@H]2CCOC2)CC1 ZINC000760845276 585399746 /nfs/dbraw/zinc/39/97/46/585399746.db2.gz ZGOOJBQFTOZPRH-ZDUSSCGKSA-N 0 3 223.316 1.280 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC000761091202 585408375 /nfs/dbraw/zinc/40/83/75/585408375.db2.gz UZOKNIMZZGPZIL-XQQFMLRXSA-N 0 3 234.343 1.670 20 30 BDEDHN Cn1cc(N=NC2CCN3CCC[C@H]23)cn1 ZINC000761881991 585422142 /nfs/dbraw/zinc/42/21/42/585422142.db2.gz UAJOMRYQGPUOFV-LLVKDONJSA-N 0 3 219.292 1.056 20 30 BDEDHN CC[NH+](CC)CCCOC(=O)c1ccc(C#N)[n-]1 ZINC000763268804 585445570 /nfs/dbraw/zinc/44/55/70/585445570.db2.gz UKNCVXSMQZFAII-UHFFFAOYSA-N 0 3 249.314 1.775 20 30 BDEDHN COc1nccnc1N=NC1CCN2CCC[C@H]12 ZINC000763411871 585447773 /nfs/dbraw/zinc/44/77/73/585447773.db2.gz LQMDMAJDSFXVKH-SNVBAGLBSA-N 0 3 247.302 1.121 20 30 BDEDHN CC1(C#N)CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763758533 585454183 /nfs/dbraw/zinc/45/41/83/585454183.db2.gz FVMQLQSGBQQBNN-LLVKDONJSA-N 0 3 248.326 1.708 20 30 BDEDHN CC1(C#N)CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763758535 585454221 /nfs/dbraw/zinc/45/42/21/585454221.db2.gz FVMQLQSGBQQBNN-NSHDSACASA-N 0 3 248.326 1.708 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1CCCCCC1 ZINC000763903149 585456888 /nfs/dbraw/zinc/45/68/88/585456888.db2.gz QORMSLKUWZHWAW-UHFFFAOYSA-N 0 3 224.348 1.943 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC[C@H]1C ZINC000763918020 585457022 /nfs/dbraw/zinc/45/70/22/585457022.db2.gz GVFSKUXEAJCCQL-LLVKDONJSA-N 0 3 210.321 1.505 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000764247115 585462995 /nfs/dbraw/zinc/46/29/95/585462995.db2.gz JQFHYVNMEBBQCC-JTQLQIEISA-N 0 3 210.321 1.361 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC)CC(F)F ZINC000764459721 585465840 /nfs/dbraw/zinc/46/58/40/585465840.db2.gz JVEACPYGKRZLDT-UHFFFAOYSA-N 0 3 234.290 1.608 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cnccc1C ZINC000764499268 585465955 /nfs/dbraw/zinc/46/59/55/585465955.db2.gz LLUBDYPSIVROIZ-UHFFFAOYSA-N 0 3 219.288 1.446 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000764541210 585467661 /nfs/dbraw/zinc/46/76/61/585467661.db2.gz PWTJPPWXTSIPGY-BXUZGUMPSA-N 0 3 249.358 1.693 20 30 BDEDHN COc1cc(C(C)=NNC(=N)N)ccc1F ZINC000765570963 585490072 /nfs/dbraw/zinc/49/00/72/585490072.db2.gz AXDWJKVXWSZVQM-UHFFFAOYSA-N 0 3 224.239 1.041 20 30 BDEDHN Cc1nc(C#N)c(N=NC2CCN3CCC[C@@H]23)o1 ZINC000765571458 585490099 /nfs/dbraw/zinc/49/00/99/585490099.db2.gz ITNNFJZHVRLJRW-NSHDSACASA-N 0 3 245.286 1.491 20 30 BDEDHN c1cnnc(N=NC2CCN3CCC[C@@H]23)c1 ZINC000765579270 585490289 /nfs/dbraw/zinc/49/02/89/585490289.db2.gz XVFHZHXLGQNZMF-JTQLQIEISA-N 0 3 217.276 1.113 20 30 BDEDHN C#C[C@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766665934 585504723 /nfs/dbraw/zinc/50/47/23/585504723.db2.gz ZYGTYVIOPCVWRA-TVQRCGJNSA-N 0 3 247.294 1.272 20 30 BDEDHN C#C[C@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766665934 585504724 /nfs/dbraw/zinc/50/47/24/585504724.db2.gz ZYGTYVIOPCVWRA-TVQRCGJNSA-N 0 3 247.294 1.272 20 30 BDEDHN C#CCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000766895750 585509251 /nfs/dbraw/zinc/50/92/51/585509251.db2.gz GZYYKVBGZOZVNL-AWEZNQCLSA-N 0 3 236.359 1.196 20 30 BDEDHN C#CCCCN1CCC[C@@H](c2nnc(C)o2)C1 ZINC000766896659 585509644 /nfs/dbraw/zinc/50/96/44/585509644.db2.gz WVNNYIRWRKHRJK-GFCCVEGCSA-N 0 3 233.315 1.971 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000768189201 585533454 /nfs/dbraw/zinc/53/34/54/585533454.db2.gz XMOLCVPNGCLIGE-LBPRGKRZSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769897959 585566221 /nfs/dbraw/zinc/56/62/21/585566221.db2.gz KMTDKMUHSSNTAB-NXEZZACHSA-N 0 3 235.249 1.645 20 30 BDEDHN C[C@@H](C#N)CNN=C1CCN(C)[C@@H](C)C1 ZINC000771104351 585590878 /nfs/dbraw/zinc/59/08/78/585590878.db2.gz SGBLBUOWHNZBHR-UWVGGRQHSA-N 0 3 208.309 1.206 20 30 BDEDHN C#CCNC(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000771465895 585594558 /nfs/dbraw/zinc/59/45/58/585594558.db2.gz YESLTSFNHUMFGB-GFCCVEGCSA-N 0 3 234.343 1.248 20 30 BDEDHN C#CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000771511424 585595534 /nfs/dbraw/zinc/59/55/34/585595534.db2.gz UXTHMODDGNHERA-SMDDNHRTSA-N 0 3 230.311 1.427 20 30 BDEDHN C#Cc1ccc(C(=O)OCCN(CC)CC)nc1 ZINC000772089050 585608158 /nfs/dbraw/zinc/60/81/58/585608158.db2.gz OFWQFOBNHKSTFF-UHFFFAOYSA-N 0 3 246.310 1.562 20 30 BDEDHN C#CC[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774131480 585651274 /nfs/dbraw/zinc/65/12/74/585651274.db2.gz UHNRGAGJMIBQSH-MNOVXSKESA-N 0 3 237.299 1.056 20 30 BDEDHN CCOCCON=C1CCN2CCC[C@@H]12 ZINC000774418796 585658413 /nfs/dbraw/zinc/65/84/13/585658413.db2.gz ZRLJVTFSJHBGKY-NSHDSACASA-N 0 3 212.293 1.264 20 30 BDEDHN C#CCNC(=O)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000775389363 585677236 /nfs/dbraw/zinc/67/72/36/585677236.db2.gz WQXMSYPPWKFUFQ-CYBMUJFWSA-N 0 3 244.338 1.703 20 30 BDEDHN C=C(C)CCN(C)CC(=O)NCc1ccco1 ZINC000775564593 585679690 /nfs/dbraw/zinc/67/96/90/585679690.db2.gz ZPSIRMQXURZTMC-UHFFFAOYSA-N 0 3 236.315 1.794 20 30 BDEDHN C#C[C@H](N[C@H](C)CCn1cccn1)[C@@H]1CCCO1 ZINC000775575235 585680775 /nfs/dbraw/zinc/68/07/75/585680775.db2.gz VDPGUJWFVBMPDF-RDBSUJKOSA-N 0 3 247.342 1.432 20 30 BDEDHN C=C(C)CCN(C)[C@H]1CCCCNC1=O ZINC000775594404 585680967 /nfs/dbraw/zinc/68/09/67/585680967.db2.gz UQGZYIYMZQZLTG-NSHDSACASA-N 0 3 210.321 1.553 20 30 BDEDHN C#C[C@@H](NCCc1ccccc1)[C@H]1CCCO1 ZINC000775784136 585685014 /nfs/dbraw/zinc/68/50/14/585685014.db2.gz HBLYCYCFFUZFFQ-HUUCEWRRSA-N 0 3 229.323 2.000 20 30 BDEDHN C#C[C@H](NCCCn1ccnc1C)[C@@H]1CCCO1 ZINC000775792672 585685139 /nfs/dbraw/zinc/68/51/39/585685139.db2.gz SMFUWTQYXZZTLG-KBPBESRZSA-N 0 3 247.342 1.352 20 30 BDEDHN C#CCCN1CCN(CCCCC)CC1 ZINC000776594012 585702183 /nfs/dbraw/zinc/70/21/83/585702183.db2.gz QXMCVUQZOLXEJQ-UHFFFAOYSA-N 0 3 208.349 1.818 20 30 BDEDHN CC(=NNC1=N[C@H](C)CN1)C1CCSCC1 ZINC000777443371 585712227 /nfs/dbraw/zinc/71/22/27/585712227.db2.gz TZQPVJFYVIKNLT-MRVPVSSYSA-N 0 3 240.376 1.443 20 30 BDEDHN C#CCCN1CCC(O)(C(F)F)CC1 ZINC000778310144 585730910 /nfs/dbraw/zinc/73/09/10/585730910.db2.gz VCTLOVKTUSPTIO-UHFFFAOYSA-N 0 3 203.232 1.102 20 30 BDEDHN N#Cc1ccc([C@H](O)CN2CC=CCC2)cc1 ZINC000778965867 585743199 /nfs/dbraw/zinc/74/31/99/585743199.db2.gz GPVUCRIZCWAWMA-CQSZACIVSA-N 0 3 228.295 1.854 20 30 BDEDHN CC(CC1CCC1)=NNC1=N[C@H](C)CN1 ZINC000779791925 585763835 /nfs/dbraw/zinc/76/38/35/585763835.db2.gz NQEFMJKRHXDLGK-SECBINFHSA-N 0 3 208.309 1.490 20 30 BDEDHN CO[C@]1(C)CC(=NNC2=N[C@@H](C)CN2)C1(C)C ZINC000779795710 585764509 /nfs/dbraw/zinc/76/45/09/585764509.db2.gz WZLPNJBRKIMRQF-QPUJVOFHSA-N 0 3 238.335 1.115 20 30 BDEDHN CON(Cc1ccccc1)C(=O)C(C)C#N ZINC000780784911 585784868 /nfs/dbraw/zinc/78/48/68/585784868.db2.gz YSELRCNSVGOFIA-SNVBAGLBSA-N 0 3 218.256 1.736 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)C2)CC1 ZINC000781621365 585800841 /nfs/dbraw/zinc/80/08/41/585800841.db2.gz SGIMVFBJTUKOPL-GXTWGEPZSA-N 0 3 248.370 1.636 20 30 BDEDHN C=C(CC)CN1CCC2(CNC(=O)O2)CC1 ZINC000782005039 585806494 /nfs/dbraw/zinc/80/64/94/585806494.db2.gz WMZPTHLQEKPSKR-UHFFFAOYSA-N 0 3 224.304 1.527 20 30 BDEDHN CC(=O)NCCCN1CCC(CC#N)CC1 ZINC000782088432 585807652 /nfs/dbraw/zinc/80/76/52/585807652.db2.gz LKKWJXRZVGBJPO-UHFFFAOYSA-N 0 3 223.320 1.138 20 30 BDEDHN C[C@H](C[C@H]1CCOC1)NCc1ccc(C#N)cn1 ZINC000783293592 585833246 /nfs/dbraw/zinc/83/32/46/585833246.db2.gz IXZNCOWZRLFQSY-VXGBXAGGSA-N 0 3 245.326 1.858 20 30 BDEDHN C[C@@H](C[C@@H]1CCOC1)NCc1ccc(C#N)cn1 ZINC000783293591 585833471 /nfs/dbraw/zinc/83/34/71/585833471.db2.gz IXZNCOWZRLFQSY-RYUDHWBXSA-N 0 3 245.326 1.858 20 30 BDEDHN C#CCOCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000784078812 585849033 /nfs/dbraw/zinc/84/90/33/585849033.db2.gz FHXOPZOPSRBLSO-NSHDSACASA-N 0 3 248.282 1.895 20 30 BDEDHN C=C[C@@H]1CCCCN1CCN1CCOC1=O ZINC000785998252 585884977 /nfs/dbraw/zinc/88/49/77/585884977.db2.gz ASTNGKVFPBWIIL-LLVKDONJSA-N 0 3 224.304 1.479 20 30 BDEDHN C=C[C@@](C)(CC)COC(=O)C1CCN(C)C1=O ZINC000786518772 585893984 /nfs/dbraw/zinc/89/39/84/585893984.db2.gz IRQMPIMFSXFTGX-GWCFXTLKSA-N 0 3 239.315 1.610 20 30 BDEDHN C#CCCN1CCN(CC[C@@H]2CCCO2)CC1 ZINC000787271913 585904286 /nfs/dbraw/zinc/90/42/86/585904286.db2.gz MRSRGWLKLBVHJY-AWEZNQCLSA-N 0 3 236.359 1.196 20 30 BDEDHN CC(=NN[C@H]1CCOC1)c1ccc(N)cc1C ZINC000788438524 585923472 /nfs/dbraw/zinc/92/34/72/585923472.db2.gz DLBBZFZSTRHSNV-LBPRGKRZSA-N 0 3 233.315 1.680 20 30 BDEDHN CC1(C)C(N=NC(=N)N)C[C@@H]1Oc1ccccc1 ZINC000788991260 585932899 /nfs/dbraw/zinc/93/28/99/585932899.db2.gz IVIYMZQJZBDJCH-NSHDSACASA-N 0 3 246.314 1.703 20 30 BDEDHN C#CCCN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000789332490 585940135 /nfs/dbraw/zinc/94/01/35/585940135.db2.gz PMRLEBYXWHODMF-BETUJISGSA-N 0 3 224.348 1.051 20 30 BDEDHN NC(=NOCCN1CCCCC1)c1ccco1 ZINC000789628387 585947279 /nfs/dbraw/zinc/94/72/79/585947279.db2.gz VMYXXPKQKMSQGF-UHFFFAOYSA-N 0 3 237.303 1.402 20 30 BDEDHN C=C(C)CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000790079520 585957656 /nfs/dbraw/zinc/95/76/56/585957656.db2.gz KEJSDNUEEKBOIW-GFCCVEGCSA-N 0 3 235.331 1.731 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790388851 585964301 /nfs/dbraw/zinc/96/43/01/585964301.db2.gz MFDHDADCNLUMHP-IHRRRGAJSA-N 0 3 237.343 1.668 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000792923024 586007196 /nfs/dbraw/zinc/00/71/96/586007196.db2.gz UCHUTAPDEIJWIW-JHJVBQTASA-N 0 3 238.331 1.558 20 30 BDEDHN COCCCN=NC1CN(C2CC2)C[C@H]1C ZINC000794544079 586043118 /nfs/dbraw/zinc/04/31/18/586043118.db2.gz PPDHORKLKOCPQQ-SNVBAGLBSA-N 0 3 225.336 1.083 20 30 BDEDHN COCCCNN=Cc1ccc2c(c1)CCN2C ZINC000794543397 586043280 /nfs/dbraw/zinc/04/32/80/586043280.db2.gz FLQDYJGLSMXMOO-UHFFFAOYSA-N 0 3 247.342 1.639 20 30 BDEDHN CSCCON=Cc1cnccc1N(C)C ZINC000794574816 586044752 /nfs/dbraw/zinc/04/47/52/586044752.db2.gz QYKSJBZWIKUWNP-UHFFFAOYSA-N 0 3 239.344 1.861 20 30 BDEDHN COCCCON=C1CCN2CCC[C@H]12 ZINC000795044034 586066826 /nfs/dbraw/zinc/06/68/26/586066826.db2.gz HUOSCFBMYLGGLD-LLVKDONJSA-N 0 3 212.293 1.264 20 30 BDEDHN N#CCCNC(=O)CN(CC1CC1)CC1CCC1 ZINC000796574199 586107206 /nfs/dbraw/zinc/10/72/06/586107206.db2.gz HAVBAKASLAOVGH-UHFFFAOYSA-N 0 3 249.358 1.528 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)nc(N)n1 ZINC000797836616 586132680 /nfs/dbraw/zinc/13/26/80/586132680.db2.gz XCHRHDVMABQUIZ-JQWIXIFHSA-N 0 3 248.330 1.760 20 30 BDEDHN C=CC[C@H](CC)NC(=S)NCCN(C)C ZINC000798376568 586143251 /nfs/dbraw/zinc/14/32/51/586143251.db2.gz WFEWFFIZSFWHGE-JTQLQIEISA-N 0 3 229.393 1.367 20 30 BDEDHN C#C[C@@H]1CCCN(CCOC2CCOCC2)C1 ZINC000859336037 589032444 /nfs/dbraw/zinc/03/24/44/589032444.db2.gz JREFOMJXYOYKRW-CYBMUJFWSA-N 0 3 237.343 1.527 20 30 BDEDHN CC#CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000801149738 586243789 /nfs/dbraw/zinc/24/37/89/586243789.db2.gz UQEUZZJPEOIJRS-ZDUSSCGKSA-N 0 3 234.343 1.487 20 30 BDEDHN CC#CC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000801179725 586246028 /nfs/dbraw/zinc/24/60/28/586246028.db2.gz ALHWQHKVPDFYNN-LLVKDONJSA-N 0 3 222.332 1.198 20 30 BDEDHN CC#CC(=O)NC1CC(N2CCCCC2)C1 ZINC000801299145 586252109 /nfs/dbraw/zinc/25/21/09/586252109.db2.gz OMDHPQKZQOFJIV-UHFFFAOYSA-N 0 3 220.316 1.143 20 30 BDEDHN C=C(C)[C@H](CO)N[C@@H]1CCc2ccccc2OC1 ZINC000801571387 586264783 /nfs/dbraw/zinc/26/47/83/586264783.db2.gz RMCHYRZGXKHSKL-KGLIPLIRSA-N 0 3 247.338 1.907 20 30 BDEDHN N#CCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801873485 586275697 /nfs/dbraw/zinc/27/56/97/586275697.db2.gz TVHZBCDYWRGOAC-UHFFFAOYSA-N 0 3 236.315 1.708 20 30 BDEDHN C[C@H](C#N)OCCN[C@H](CCO)c1ccccc1 ZINC000801937462 586279531 /nfs/dbraw/zinc/27/95/31/586279531.db2.gz NODCZIRXZLVPTC-TZMCWYRMSA-N 0 3 248.326 1.628 20 30 BDEDHN CC[C@]1(CO)CCCN(CCO[C@@H](C)C#N)C1 ZINC000801947344 586282103 /nfs/dbraw/zinc/28/21/03/586282103.db2.gz UZWMZPRWGRCCEY-STQMWFEESA-N 0 3 240.347 1.400 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@@H](c2ccccn2)C1 ZINC000801953888 586283960 /nfs/dbraw/zinc/28/39/60/586283960.db2.gz YGGBYLOGRIOWAE-CHWSQXEVSA-N 0 3 245.326 1.800 20 30 BDEDHN CC[C@](C)(C#N)C(=O)NCCN1CCC[C@H]1C ZINC000807272008 586430958 /nfs/dbraw/zinc/43/09/58/586430958.db2.gz VLWNKMFJIUJVPL-DGCLKSJQSA-N 0 3 237.347 1.527 20 30 BDEDHN CCC(CC)N(CC)CC(=O)NCCC#N ZINC000808782174 586489490 /nfs/dbraw/zinc/48/94/90/586489490.db2.gz IQJRSCDJAFAHOQ-UHFFFAOYSA-N 0 3 225.336 1.527 20 30 BDEDHN C#CCNC(=O)CN(CC)C(CC)CC ZINC000808782498 586489517 /nfs/dbraw/zinc/48/95/17/586489517.db2.gz VSPDURIOAUAGTA-UHFFFAOYSA-N 0 3 210.321 1.246 20 30 BDEDHN C#C[C@H](C)NCc1ccc(C(=O)NC2CC2)cc1 ZINC000809683823 586512161 /nfs/dbraw/zinc/51/21/61/586512161.db2.gz QKCGABXPQBYWHB-NSHDSACASA-N 0 3 242.322 1.690 20 30 BDEDHN C[C@H](CO)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809745168 586516632 /nfs/dbraw/zinc/51/66/32/586516632.db2.gz DUEQUTGSIZPUFE-NEPJUHHUSA-N 0 3 248.326 1.790 20 30 BDEDHN C=CCOCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813111632 586593726 /nfs/dbraw/zinc/59/37/26/586593726.db2.gz JJSHHTZYENZWMS-VIFPVBQESA-N 0 3 231.248 1.178 20 30 BDEDHN N=C(N)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814796760 586634410 /nfs/dbraw/zinc/63/44/10/586634410.db2.gz OGQZVCUGDXMVNV-ZETCQYMHSA-N 0 3 229.287 1.177 20 30 BDEDHN Cc1ccc(C(C)C)c2c1C(=NNC(=N)N)CO2 ZINC000814796450 586634643 /nfs/dbraw/zinc/63/46/43/586634643.db2.gz DRRAINZYFXIFRW-UHFFFAOYSA-N 0 3 246.314 1.698 20 30 BDEDHN CCN(C)c1ccc(C(C)=NNCCO)cc1 ZINC000814942057 586656423 /nfs/dbraw/zinc/65/64/23/586656423.db2.gz GNWNELHKKSNJLJ-UHFFFAOYSA-N 0 3 235.331 1.449 20 30 BDEDHN C[C@@H](O)CNN=Cc1ccc2c(c1)CCCN2C ZINC000814966477 586662203 /nfs/dbraw/zinc/66/22/03/586662203.db2.gz URGRKUCHNFAZSU-LLVKDONJSA-N 0 3 247.342 1.373 20 30 BDEDHN C=C(Cl)CN1CCC2(CC1)OCCCO2 ZINC000815158949 586670773 /nfs/dbraw/zinc/67/07/73/586670773.db2.gz YRDSDDYAGBECNK-UHFFFAOYSA-N 0 3 231.723 1.968 20 30 BDEDHN C=CCN(CCC#N)C(=O)C1(N(C)C)CCC1 ZINC000816802941 586764666 /nfs/dbraw/zinc/76/46/66/586764666.db2.gz FTZMOGRVHPYLRT-UHFFFAOYSA-N 0 3 235.331 1.399 20 30 BDEDHN C#Cc1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817414095 586801435 /nfs/dbraw/zinc/80/14/35/586801435.db2.gz CAKYSYSIBYUBPP-OAHLLOKOSA-N 0 3 242.322 1.378 20 30 BDEDHN C#CCN1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000859952342 589074055 /nfs/dbraw/zinc/07/40/55/589074055.db2.gz XRTTUKJRSADJGO-WOPDTQHZSA-N 0 3 221.300 1.283 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000840520089 586909847 /nfs/dbraw/zinc/90/98/47/586909847.db2.gz JCUREVIZOJEPLK-GHMZBOCLSA-N 0 3 228.311 1.501 20 30 BDEDHN C#Cc1ccc(CNC[C@H](O)CSC)cc1 ZINC000819338861 586953985 /nfs/dbraw/zinc/95/39/85/586953985.db2.gz CSKOPMQWWXGENW-ZDUSSCGKSA-N 0 3 235.352 1.481 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000820394881 587045832 /nfs/dbraw/zinc/04/58/32/587045832.db2.gz PLVMQSGSKBKSDS-VXGBXAGGSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000820422489 587047808 /nfs/dbraw/zinc/04/78/08/587047808.db2.gz JDUHUMDVKBUAEL-RWMBFGLXSA-N 0 3 249.358 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)CCC1(C)CC1 ZINC000820680462 587065893 /nfs/dbraw/zinc/06/58/93/587065893.db2.gz MIIZNEDNHGLXJI-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN C#C[C@H](CC)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000821567506 587129017 /nfs/dbraw/zinc/12/90/17/587129017.db2.gz OOTTXBGOVLJPDG-VXGBXAGGSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000823044986 587199233 /nfs/dbraw/zinc/19/92/33/587199233.db2.gz OWGFQKBWHFOUEN-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000823034647 587199308 /nfs/dbraw/zinc/19/93/08/587199308.db2.gz PZOKGZFYTDSLMH-LBPRGKRZSA-N 0 3 234.343 1.246 20 30 BDEDHN C#Cc1cccc(CN[C@H](C)COC)c1 ZINC000825226808 587310252 /nfs/dbraw/zinc/31/02/52/587310252.db2.gz MPPWMDXPLFEFBK-LLVKDONJSA-N 0 3 203.285 1.792 20 30 BDEDHN CC(C)C#CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000825555957 587325038 /nfs/dbraw/zinc/32/50/38/587325038.db2.gz MLMMDBKJOUUKCF-CYBMUJFWSA-N 0 3 234.343 1.343 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000825607990 587327257 /nfs/dbraw/zinc/32/72/57/587327257.db2.gz CUXPLEAPIFCQSF-DLOVCJGASA-N 0 3 236.315 1.325 20 30 BDEDHN CC(C)C#CC(=O)N1CCCC[C@H]1CN(C)C ZINC000826048253 587349406 /nfs/dbraw/zinc/34/94/06/587349406.db2.gz GMSOJPLVYYCKCY-ZDUSSCGKSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CC(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826674118 587358813 /nfs/dbraw/zinc/35/88/13/587358813.db2.gz QDTZLGUAAUHRIE-ZDUSSCGKSA-N 0 3 234.343 1.533 20 30 BDEDHN C#C[C@H](NCc1cncn1CC)C1CCOCC1 ZINC000827555274 587387374 /nfs/dbraw/zinc/38/73/74/587387374.db2.gz QWJGPXLQQAKOGM-AWEZNQCLSA-N 0 3 247.342 1.421 20 30 BDEDHN C#C[C@H](NCc1cncs1)C1CCOCC1 ZINC000827565947 587388761 /nfs/dbraw/zinc/38/87/61/587388761.db2.gz QCWOIABNRFXJFV-LBPRGKRZSA-N 0 3 236.340 1.661 20 30 BDEDHN C#CCC[N@@H+](CCOC)Cc1ccccc1[O-] ZINC000827822712 587404101 /nfs/dbraw/zinc/40/41/01/587404101.db2.gz CXIKJEQCTHMWGP-UHFFFAOYSA-N 0 3 233.311 1.864 20 30 BDEDHN C#CCC[N@H+](CCOC)Cc1ccccc1[O-] ZINC000827822712 587404102 /nfs/dbraw/zinc/40/41/02/587404102.db2.gz CXIKJEQCTHMWGP-UHFFFAOYSA-N 0 3 233.311 1.864 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1ccccc1O ZINC000827946408 587412340 /nfs/dbraw/zinc/41/23/40/587412340.db2.gz HAAQRAIKAWQUKW-LLVKDONJSA-N 0 3 248.326 1.687 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978044 587414496 /nfs/dbraw/zinc/41/44/96/587414496.db2.gz HIBVQLDABOCLRL-IUCAKERBSA-N 0 3 218.256 1.729 20 30 BDEDHN C#C[C@H](NCCc1cccc(C)n1)[C@@H]1CCCO1 ZINC000828307456 587433365 /nfs/dbraw/zinc/43/33/65/587433365.db2.gz ORHFLUCERZVZJW-GJZGRUSLSA-N 0 3 244.338 1.703 20 30 BDEDHN C#CCOCCN(C)C1CC(OC(C)(C)C)C1 ZINC000828550940 587450151 /nfs/dbraw/zinc/45/01/51/587450151.db2.gz TYKBQPARNYWPMT-UHFFFAOYSA-N 0 3 239.359 1.914 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000828593075 587452602 /nfs/dbraw/zinc/45/26/02/587452602.db2.gz ZBISNVATZKPLGO-STQMWFEESA-N 0 3 236.359 1.444 20 30 BDEDHN C#CC[C@@H](NCC[S@@](C)=O)c1ccccc1 ZINC000828686943 587457424 /nfs/dbraw/zinc/45/74/24/587457424.db2.gz CHYLMKXSSYFOEB-CZUORRHYSA-N 0 3 235.352 1.719 20 30 BDEDHN N#CC(C(=O)N1CCCC1)C(=O)C12CC(C1)C2 ZINC000860460776 589101723 /nfs/dbraw/zinc/10/17/23/589101723.db2.gz AQNPRSGINUNKLR-QUNCOHTASA-N 0 3 232.283 1.118 20 30 BDEDHN C#CCCN(C)C[C@]1(O)CCc2ccccc21 ZINC000829365471 587494507 /nfs/dbraw/zinc/49/45/07/587494507.db2.gz GIPANXIJVNICBV-OAHLLOKOSA-N 0 3 229.323 1.776 20 30 BDEDHN C#CC[C@H]1CCCN(CCn2ccccc2=O)C1 ZINC000829778354 587514945 /nfs/dbraw/zinc/51/49/45/587514945.db2.gz BLCYKXJZMLCNOG-AWEZNQCLSA-N 0 3 244.338 1.584 20 30 BDEDHN C#CC[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000829779300 587515345 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FZFVTTICCGBPTJ-CYBMUJFWSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CC1CCN(Cc2ccnc(N(C)C)c2)CC1 ZINC000830345733 587546731 /nfs/dbraw/zinc/54/67/31/587546731.db2.gz PZTUTUDNDCSYHO-UHFFFAOYSA-N 0 3 243.354 1.993 20 30 BDEDHN C#CC1CCN(CCNC(=O)NC(C)C)CC1 ZINC000830350674 587547275 /nfs/dbraw/zinc/54/72/75/587547275.db2.gz GBSJDIAUSOYTMU-UHFFFAOYSA-N 0 3 237.347 1.039 20 30 BDEDHN COc1cccc(C(=O)CNC(=O)C(C)C#N)c1 ZINC000831658214 587626036 /nfs/dbraw/zinc/62/60/36/587626036.db2.gz UFTLFYQAWYOOIE-VIFPVBQESA-N 0 3 246.266 1.154 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCC(OCC)OCC ZINC000831683604 587627469 /nfs/dbraw/zinc/62/74/69/587627469.db2.gz XCROFIIJGDQOKC-MNOVXSKESA-N 0 3 229.320 1.319 20 30 BDEDHN CC(C)(CNC(=O)C#CC1CC1)N1CCCCC1 ZINC000837313873 587865429 /nfs/dbraw/zinc/86/54/29/587865429.db2.gz QBWUVMLZKHKWBS-UHFFFAOYSA-N 0 3 248.370 1.781 20 30 BDEDHN CN(C)CCN(C)C(=O)C#CC(C)(C)C ZINC000837450345 587874116 /nfs/dbraw/zinc/87/41/16/587874116.db2.gz FUNKOXTZVVYNPW-UHFFFAOYSA-N 0 3 210.321 1.056 20 30 BDEDHN CN(C)C1(CNC(=O)C#CC(C)(C)C)CCC1 ZINC000837566365 587882425 /nfs/dbraw/zinc/88/24/25/587882425.db2.gz RXPWOWPLOQPNCR-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN C=C[C@H](O)C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837747840 587893880 /nfs/dbraw/zinc/89/38/80/587893880.db2.gz WCHXDZXZDJJUQB-RYUDHWBXSA-N 0 3 241.331 1.339 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](CC)[C@@H](O)C(C)C ZINC000840523978 587909599 /nfs/dbraw/zinc/90/95/99/587909599.db2.gz HHOLGAQPOIVZRZ-NEPJUHHUSA-N 0 3 242.363 1.016 20 30 BDEDHN C#CCCCCNCc1cnc(CC)nc1 ZINC000840905104 587928593 /nfs/dbraw/zinc/92/85/93/587928593.db2.gz GEVYZXPWJCEIRM-UHFFFAOYSA-N 0 3 217.316 1.932 20 30 BDEDHN COc1ccnc(NNC(C)=C2CC2(F)F)n1 ZINC000841620251 587960752 /nfs/dbraw/zinc/96/07/52/587960752.db2.gz SVQBKUOCGCHIBR-ZETCQYMHSA-N 0 3 242.229 1.928 20 30 BDEDHN CC(=NNC1=NCCN1)c1ccccc1C ZINC000841660102 587969355 /nfs/dbraw/zinc/96/93/55/587969355.db2.gz CYVILIQWFLHTJU-UHFFFAOYSA-N 0 3 216.288 1.268 20 30 BDEDHN C[C@H]1Cc2ccccc2C1=NNC1=NCCN1 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/nfs/dbraw/zinc/15/24/11/588152411.db2.gz JROOWARXVJAUOX-CQSZACIVSA-N 0 3 242.322 1.595 20 30 BDEDHN C#CC[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000843998719 588153873 /nfs/dbraw/zinc/15/38/73/588153873.db2.gz HHXDGXBXWIIRDV-CYBMUJFWSA-N 0 3 248.370 1.590 20 30 BDEDHN C#CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000843999185 588154587 /nfs/dbraw/zinc/15/45/87/588154587.db2.gz BBIVGGPMVNYJNF-ZDUSSCGKSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000844046809 588157734 /nfs/dbraw/zinc/15/77/34/588157734.db2.gz INLVKQZSMNYDEP-CQSZACIVSA-N 0 3 246.354 1.485 20 30 BDEDHN C=CCCCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844298828 588182041 /nfs/dbraw/zinc/18/20/41/588182041.db2.gz PKCXKMBAYJOQMU-LBPRGKRZSA-N 0 3 238.331 1.868 20 30 BDEDHN C[C@H](CCC#N)N1CCC2(CC1)OCCCO2 ZINC000844331253 588185992 /nfs/dbraw/zinc/18/59/92/588185992.db2.gz IHPRSENWSOVESG-GFCCVEGCSA-N 0 3 238.331 1.908 20 30 BDEDHN COCC(CC(C)(C)C)=NNC1=N[C@H](C)CN1 ZINC000844589964 588205930 /nfs/dbraw/zinc/20/59/30/588205930.db2.gz MLDSVYZZZFTVFT-SECBINFHSA-N 0 3 240.351 1.362 20 30 BDEDHN C=C(C)CONC(=O)NC[C@H]1CCCN1CC ZINC000845598907 588234815 /nfs/dbraw/zinc/23/48/15/588234815.db2.gz WCKNWGGAAWLJKA-LLVKDONJSA-N 0 3 241.335 1.278 20 30 BDEDHN C=C(C)CONC(=O)N(C)C[C@@H]1CCCN1C ZINC000845612482 588236157 /nfs/dbraw/zinc/23/61/57/588236157.db2.gz XBWZZKDWECUEDR-NSHDSACASA-N 0 3 241.335 1.230 20 30 BDEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000845629820 588238199 /nfs/dbraw/zinc/23/81/99/588238199.db2.gz GEISKDBBAWFRQA-VWYCJHECSA-N 0 3 241.335 1.274 20 30 BDEDHN C#CCOCCC(=O)O[C@@H](C)CN1CCCC1 ZINC000845665149 588240542 /nfs/dbraw/zinc/24/05/42/588240542.db2.gz QJZBBFIVYHLSJB-LBPRGKRZSA-N 0 3 239.315 1.054 20 30 BDEDHN CCC(C#N)C(=O)N[C@@](C)(CC)CC(=O)OC ZINC000845713970 588242106 /nfs/dbraw/zinc/24/21/06/588242106.db2.gz RRMDWOYXZFDSKR-SKDRFNHKSA-N 0 3 240.303 1.384 20 30 BDEDHN CCC(C#N)C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000845902760 588249962 /nfs/dbraw/zinc/24/99/62/588249962.db2.gz SISWVYROVWBWRX-VHSXEESVSA-N 0 3 240.303 1.240 20 30 BDEDHN CCC(C#N)C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000845902740 588249977 /nfs/dbraw/zinc/24/99/77/588249977.db2.gz SISWVYROVWBWRX-UWVGGRQHSA-N 0 3 240.303 1.240 20 30 BDEDHN C=CC[C@H]1CC[C@H](NCc2nncn2C)C1 ZINC000845924098 588250446 /nfs/dbraw/zinc/25/04/46/588250446.db2.gz UJCKXEINPKSNNQ-QWRGUYRKSA-N 0 3 220.320 1.650 20 30 BDEDHN C=CC[C@@H]1CC[C@H](NCc2cnn(C)n2)C1 ZINC000845970433 588252351 /nfs/dbraw/zinc/25/23/51/588252351.db2.gz OCJLETVEBUNYCX-MNOVXSKESA-N 0 3 220.320 1.650 20 30 BDEDHN C=C[C@H](C)O[N-]C(=O)CCCC[NH+]1CCCC1 ZINC000846551585 588275695 /nfs/dbraw/zinc/27/56/95/588275695.db2.gz VNOWAKQZOQSLHF-LBPRGKRZSA-N 0 3 240.347 1.875 20 30 BDEDHN C#C[C@@H]1CCCN(CCC(=O)OC(C)C)C1 ZINC000847024219 588303467 /nfs/dbraw/zinc/30/34/67/588303467.db2.gz HRKJRGGVZYYBCR-GFCCVEGCSA-N 0 3 223.316 1.673 20 30 BDEDHN CCCCCCCN[C@]1(C(N)=O)CCOC1 ZINC000847053652 588305235 /nfs/dbraw/zinc/30/52/35/588305235.db2.gz QPDFYKJCKLZIKL-GFCCVEGCSA-N 0 3 228.336 1.191 20 30 BDEDHN C#C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000848282197 588370431 /nfs/dbraw/zinc/37/04/31/588370431.db2.gz STLXQSSMULZTPJ-OLZOCXBDSA-N 0 3 236.359 1.444 20 30 BDEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000848393212 588376476 /nfs/dbraw/zinc/37/64/76/588376476.db2.gz VGKBFEPOBIYZJR-GFCCVEGCSA-N 0 3 246.314 1.619 20 30 BDEDHN c1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000848408005 588379222 /nfs/dbraw/zinc/37/92/22/588379222.db2.gz DMOSLUZICQJJKK-AWEZNQCLSA-N 0 3 244.342 1.920 20 30 BDEDHN C=CC[C@@H](CO)NCc1cnc(Cl)n1C ZINC000848546854 588395879 /nfs/dbraw/zinc/39/58/79/588395879.db2.gz HSCYZNBZYZRCAM-QMMMGPOBSA-N 0 3 229.711 1.100 20 30 BDEDHN C=C(C)CNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025177 588440118 /nfs/dbraw/zinc/44/01/18/588440118.db2.gz RSZMVILCNDPNBZ-UHFFFAOYSA-N 0 3 249.314 1.591 20 30 BDEDHN C#CCSCCNCc1cnn2c1CCC2 ZINC000850154045 588522303 /nfs/dbraw/zinc/52/23/03/588522303.db2.gz RADZNXNOJCMARV-UHFFFAOYSA-N 0 3 235.356 1.285 20 30 BDEDHN C#CCCOc1ccc(CNC/C=C/CO)cc1 ZINC000850357633 588538895 /nfs/dbraw/zinc/53/88/95/588538895.db2.gz QEAZOIZCYCBREQ-SNAWJCMRSA-N 0 3 245.322 1.727 20 30 BDEDHN C=C[C@H](CO)NCc1cc(C)c(OC)c(C)c1 ZINC000850410383 588544386 /nfs/dbraw/zinc/54/43/86/588544386.db2.gz LTTMCGINFWEIGE-CYBMUJFWSA-N 0 3 235.327 1.949 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850760975 588565885 /nfs/dbraw/zinc/56/58/85/588565885.db2.gz YMVWHZDCVNAYLP-SNVBAGLBSA-N 0 3 232.283 1.188 20 30 BDEDHN C[C@H](CC#N)C(=O)O[C@@H](C)CN1CCCC1 ZINC000851103115 588590959 /nfs/dbraw/zinc/59/09/59/588590959.db2.gz IFWXCEXYFHNGJM-MNOVXSKESA-N 0 3 224.304 1.564 20 30 BDEDHN C#CCOCCN1CCC[C@H]1c1cn(C)nc1C ZINC000851810138 588632017 /nfs/dbraw/zinc/63/20/17/588632017.db2.gz XNBIWMDARFOUST-AWEZNQCLSA-N 0 3 247.342 1.515 20 30 BDEDHN C[C@H](NC[C@H]1CCC(=O)O1)c1ccc(C#N)cc1 ZINC000851896285 588641635 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249.314 1.205 20 30 BDEDHN C=C(Cl)CN1CC[C@@H]2COC[C@H]2C1 ZINC000852665828 588694664 /nfs/dbraw/zinc/69/46/64/588694664.db2.gz XRLGWVPLQANRAZ-NXEZZACHSA-N 0 3 201.697 1.707 20 30 BDEDHN CCC(C#N)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777768 589119421 /nfs/dbraw/zinc/11/94/21/589119421.db2.gz VUAGVEYROPHDHG-MRVPVSSYSA-N 0 3 228.248 1.525 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H](CCC)OCC ZINC000862416724 589211311 /nfs/dbraw/zinc/21/13/11/589211311.db2.gz TXZNFEDVKBNFAP-GFCCVEGCSA-N 0 3 242.363 1.426 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cn(C)nc2C)C1 ZINC000862445135 589214159 /nfs/dbraw/zinc/21/41/59/589214159.db2.gz MKUCNVUTNIZZBL-LBPRGKRZSA-N 0 3 217.316 1.574 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cnc(C)o2)C1 ZINC000862448487 589215562 /nfs/dbraw/zinc/21/55/62/589215562.db2.gz ZHTAUYCCEQCQEL-NSHDSACASA-N 0 3 204.273 1.828 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC000862564935 589222788 /nfs/dbraw/zinc/22/27/88/589222788.db2.gz KPBAMPGINTXUEI-UONOGXRCSA-N 0 3 248.370 1.733 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC000862564933 589222953 /nfs/dbraw/zinc/22/29/53/589222953.db2.gz KPBAMPGINTXUEI-KBPBESRZSA-N 0 3 248.370 1.733 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC000862564934 589222973 /nfs/dbraw/zinc/22/29/73/589222973.db2.gz KPBAMPGINTXUEI-KGLIPLIRSA-N 0 3 248.370 1.733 20 30 BDEDHN COCCCC1(C=Nn2cnnc2)CCC1 ZINC000863063091 589253599 /nfs/dbraw/zinc/25/35/99/589253599.db2.gz LPVXDYDSWWMDFG-UHFFFAOYSA-N 0 3 222.292 1.709 20 30 BDEDHN CCC(=NN(C)CCOC)c1ccc(N)cc1 ZINC000863111528 589257670 /nfs/dbraw/zinc/25/76/70/589257670.db2.gz BJCJHAYCTHGSPD-UHFFFAOYSA-N 0 3 235.331 1.961 20 30 BDEDHN CC(=NNCC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000863141044 589263441 /nfs/dbraw/zinc/26/34/41/589263441.db2.gz ZWCSRCHRDZFEHK-UHFFFAOYSA-N 0 3 249.358 1.837 20 30 BDEDHN CC(=NNc1ccnc(C)c1)c1cc(C)on1 ZINC000863159328 589264115 /nfs/dbraw/zinc/26/41/15/589264115.db2.gz MDTNZGFDNZJYOC-UHFFFAOYSA-N 0 3 230.271 1.944 20 30 BDEDHN CC(C)N1CC(=Nn2cccn2)[C@@H](C)C1 ZINC000863164320 589266550 /nfs/dbraw/zinc/26/65/50/589266550.db2.gz GEOVFLPGOCDPAK-JTQLQIEISA-N 0 3 206.293 1.447 20 30 BDEDHN CCNC(NCc1cc(C)ccc1[O-])=[NH+]CC ZINC000864356051 589355306 /nfs/dbraw/zinc/35/53/06/589355306.db2.gz MNQNQFKPWASZIR-UHFFFAOYSA-N 0 3 235.331 1.776 20 30 BDEDHN C#CCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000120208221 589392884 /nfs/dbraw/zinc/39/28/84/589392884.db2.gz HBXKVNGOKBLKJM-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN C[C@@H](CNC(=O)c1coc(C#N)c1)N1CCCC1 ZINC000865176027 589412843 /nfs/dbraw/zinc/41/28/43/589412843.db2.gz ZJEDRRGDVAUDFK-JTQLQIEISA-N 0 3 247.298 1.365 20 30 BDEDHN C#CCCCCNC(=O)NC[C@@H]1CCCN1C ZINC000120591656 589440421 /nfs/dbraw/zinc/44/04/21/589440421.db2.gz WQXDWBMNQFHDPX-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN Cc1ccc(C)c(C(=O)CNC(=O)C(C)C#N)c1 ZINC000869575541 589613796 /nfs/dbraw/zinc/61/37/96/589613796.db2.gz FOSCLUQTNRHVQC-NSHDSACASA-N 0 3 244.294 1.762 20 30 BDEDHN CC[C@@H](CN(C)C)OC(=O)[C@H](C)CC#N ZINC000870549363 589673887 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20 30 BDEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC(C)(C)C ZINC000874828376 590142422 /nfs/dbraw/zinc/14/24/22/590142422.db2.gz WJAFRZMXROXACH-CHWSQXEVSA-N 0 3 248.370 1.731 20 30 BDEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCCC#N ZINC000874825382 590142787 /nfs/dbraw/zinc/14/27/87/590142787.db2.gz PMYYTVFFESLLQH-QWHCGFSZSA-N 0 3 249.358 1.765 20 30 BDEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CC(C)(C)C#N ZINC000874831460 590143100 /nfs/dbraw/zinc/14/31/00/590143100.db2.gz YBGYWCACPPXFLQ-VXGBXAGGSA-N 0 3 249.358 1.621 20 30 BDEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC000874863730 590150682 /nfs/dbraw/zinc/15/06/82/590150682.db2.gz DLWWRLJKARQXRE-JHJVBQTASA-N 0 3 236.359 1.635 20 30 BDEDHN C=C(C[NH+](C)C)C(=O)[N-]Oc1ccccc1F ZINC000874910589 590154398 /nfs/dbraw/zinc/15/43/98/590154398.db2.gz UPHHHVXOIGXQHG-UHFFFAOYSA-N 0 3 238.262 1.354 20 30 BDEDHN CC#CCCNC[C@@H](O)c1ccccc1F ZINC000125686435 590181580 /nfs/dbraw/zinc/18/15/80/590181580.db2.gz FLPDWHXYIQIRRG-CYBMUJFWSA-N 0 3 221.275 1.862 20 30 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C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C1CC1 ZINC000876618720 590222524 /nfs/dbraw/zinc/22/25/24/590222524.db2.gz DCLNRJGTFCMDCK-GMSGAONNSA-N 0 3 230.739 1.619 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C(C)C ZINC000876673857 590229039 /nfs/dbraw/zinc/22/90/39/590229039.db2.gz UIQGSCOPHAPSJV-PSASIEDQSA-N 0 3 232.755 1.865 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CSC ZINC000876674105 590229416 /nfs/dbraw/zinc/22/94/16/590229416.db2.gz ZMRHQVOYLWACAS-SFYZADRCSA-N 0 3 236.768 1.324 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000876682264 590230536 /nfs/dbraw/zinc/23/05/36/590230536.db2.gz GQRXLVFRJLOVDE-AEJSXWLSSA-N 0 3 242.750 1.571 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000876702613 590231582 /nfs/dbraw/zinc/23/15/82/590231582.db2.gz BTWQQEAIXRJIJT-AEJSXWLSSA-N 0 3 230.739 1.856 20 30 BDEDHN C#CCCCCCCN(C)[C@@H]1CCN(C)C1=O ZINC000876752837 590237753 /nfs/dbraw/zinc/23/77/53/590237753.db2.gz ARGUZTLNVUOZRH-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN C=CCN(C(=O)[C@@H](N)CC(=C)Cl)C1CC1 ZINC000876902785 590255438 /nfs/dbraw/zinc/25/54/38/590255438.db2.gz HRRNYOOILQOKJP-JTQLQIEISA-N 0 3 228.723 1.633 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(F)(F)F ZINC000876940406 590259392 /nfs/dbraw/zinc/25/93/92/590259392.db2.gz TYTVNBJLUXOWOP-ZCFIWIBFSA-N 0 3 244.644 1.477 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C=CCC1 ZINC000876960621 590261400 /nfs/dbraw/zinc/26/14/00/590261400.db2.gz IPEQGCNOYOQLNL-IUCAKERBSA-N 0 3 214.696 1.291 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C=CCC1 ZINC000876960619 590261542 /nfs/dbraw/zinc/26/15/42/590261542.db2.gz IPEQGCNOYOQLNL-BDAKNGLRSA-N 0 3 214.696 1.291 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC12CC2 ZINC000877131753 590290438 /nfs/dbraw/zinc/29/04/38/590290438.db2.gz JUXHSAJXEMRNBZ-VHSXEESVSA-N 0 3 242.750 1.905 20 30 BDEDHN C=C(Cl)CNC[C@@H](OC)[C@H]1CCOC1 ZINC000877149247 590290672 /nfs/dbraw/zinc/29/06/72/590290672.db2.gz JLCCHIZKGURZRT-VHSXEESVSA-N 0 3 219.712 1.380 20 30 BDEDHN 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C#CCC1(O)CCN(Cc2ccnc(C)c2)CC1 ZINC000880482432 591055430 /nfs/dbraw/zinc/05/54/30/591055430.db2.gz ISXAPHPBTNBZAI-UHFFFAOYSA-N 0 3 244.338 1.740 20 30 BDEDHN N#Cc1ccc(CCN2CC=C[C@H]2CO)cc1 ZINC000880494807 591073379 /nfs/dbraw/zinc/07/33/79/591073379.db2.gz SVWQRTSMXPYSQM-AWEZNQCLSA-N 0 3 228.295 1.333 20 30 BDEDHN C=CCCCCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880564827 591094427 /nfs/dbraw/zinc/09/44/27/591094427.db2.gz FRCVAARNAHZWFJ-ZDUSSCGKSA-N 0 3 241.331 1.343 20 30 BDEDHN C=CCCCN1CCc2ncncc2C1 ZINC000880594265 591104779 /nfs/dbraw/zinc/10/47/79/591104779.db2.gz ACIWCBCIRNYPFP-UHFFFAOYSA-N 0 3 203.289 1.801 20 30 BDEDHN CCN1[C@H](C)CN(C(=O)C(C)C#N)C[C@@H]1C ZINC000880609117 591109173 /nfs/dbraw/zinc/10/91/73/591109173.db2.gz QPNGTKGLUOEZSB-MXWKQRLJSA-N 0 3 223.320 1.087 20 30 BDEDHN C[C@@H](N)c1cn(Cc2ccccc2C#N)nn1 ZINC000880983457 591156150 /nfs/dbraw/zinc/15/61/50/591156150.db2.gz ZPQCKYYEEKSYKW-SECBINFHSA-N 0 3 227.271 1.218 20 30 BDEDHN CC[C@@H](N)c1cn(Cc2ccc(C#N)o2)nn1 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C=CCC[C@H](CO)N[C@@H](C)c1nccnc1C ZINC000321444221 387198023 /nfs/dbraw/zinc/19/80/23/387198023.db2.gz NBSHEJVAUSSKJR-NWDGAFQWSA-N 0 3 235.331 1.763 20 30 BDEDHN C=CCC[C@H](CO)NCc1cccc(OC)n1 ZINC000321536159 387271753 /nfs/dbraw/zinc/27/17/53/387271753.db2.gz ZLQWNRXLGRVORD-GFCCVEGCSA-N 0 3 236.315 1.507 20 30 BDEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)CCO ZINC000188822896 387273867 /nfs/dbraw/zinc/27/38/67/387273867.db2.gz ALFIICRGBZMJKI-CYBMUJFWSA-N 0 3 242.363 1.019 20 30 BDEDHN COC(=O)[C@H](C)CN(C)Cc1cc(C#N)n(C)c1 ZINC000191254792 387362829 /nfs/dbraw/zinc/36/28/29/387362829.db2.gz NEBCPGGGQLJFMT-SNVBAGLBSA-N 0 3 249.314 1.138 20 30 BDEDHN C[C@@H](CN(C)C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000169016647 387379057 /nfs/dbraw/zinc/37/90/57/387379057.db2.gz HKRLZHJRWFBADR-QMMMGPOBSA-N 0 3 249.274 1.223 20 30 BDEDHN C#CC[C@H](NC[C@H](O)COCC)c1ccccc1 ZINC000271692412 387445747 /nfs/dbraw/zinc/44/57/47/387445747.db2.gz KULHPTSKDQOTMY-GJZGRUSLSA-N 0 3 247.338 1.738 20 30 BDEDHN C[C@H](O)CN(C)CCOc1ccccc1C#N ZINC000051819939 387422530 /nfs/dbraw/zinc/42/25/30/387422530.db2.gz REVXTHBUYSPAKO-NSHDSACASA-N 0 3 234.299 1.250 20 30 BDEDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(C#N)c(F)c1 ZINC000346139741 387503100 /nfs/dbraw/zinc/50/31/00/387503100.db2.gz OOKSQFMMRGIHPD-DTWKUNHWSA-N 0 3 249.289 1.612 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000424099359 387519469 /nfs/dbraw/zinc/51/94/69/387519469.db2.gz FNMPIEGCOAIIAP-RWMBFGLXSA-N 0 3 249.358 1.799 20 30 BDEDHN CNC(=O)CCN(C)Cc1ccc(C#N)cc1C ZINC000186201887 387521978 /nfs/dbraw/zinc/52/19/78/387521978.db2.gz RLZVQOHEKZXPIX-UHFFFAOYSA-N 0 3 245.326 1.435 20 30 BDEDHN C=C[C@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000648084724 387531901 /nfs/dbraw/zinc/53/19/01/387531901.db2.gz RZVALVSEDXDSSV-CABZTGNLSA-N 0 3 236.290 1.559 20 30 BDEDHN C#Cc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000278479505 387540541 /nfs/dbraw/zinc/54/05/41/387540541.db2.gz AMJWVWUOSHNDNL-AWEZNQCLSA-N 0 3 215.296 1.625 20 30 BDEDHN CN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424075290 387477693 /nfs/dbraw/zinc/47/76/93/387477693.db2.gz JFBGYZWFHHUJNX-CYBMUJFWSA-N 0 3 245.326 1.666 20 30 BDEDHN Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424075270 387478250 /nfs/dbraw/zinc/47/82/50/387478250.db2.gz JCOAAHNYGVLSQF-GFCCVEGCSA-N 0 3 231.299 1.955 20 30 BDEDHN Cc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424080239 387479838 /nfs/dbraw/zinc/47/98/38/387479838.db2.gz SGPUVKVRVRCVJC-NSHDSACASA-N 0 3 231.299 1.955 20 30 BDEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)cc1 ZINC000424080281 387480588 /nfs/dbraw/zinc/48/05/88/387480588.db2.gz SLOVLICQAPFDHL-NSHDSACASA-N 0 3 235.262 1.785 20 30 BDEDHN CC#CCCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000527531353 387601658 /nfs/dbraw/zinc/60/16/58/387601658.db2.gz BGYWHLMPMDLEHR-XUJVJEKNSA-N 0 3 225.357 1.385 20 30 BDEDHN CN(CC1CCC1)C(=O)[C@@H](N)CCCC#N ZINC000424113972 387555665 /nfs/dbraw/zinc/55/56/65/387555665.db2.gz PJXPUIUOQGGAEV-NSHDSACASA-N 0 3 223.320 1.266 20 30 BDEDHN C=CCN(CCOC)CC(C)(C)COC ZINC000426362493 387558254 /nfs/dbraw/zinc/55/82/54/387558254.db2.gz BDKBKPINGDWJCZ-UHFFFAOYSA-N 0 3 215.337 1.793 20 30 BDEDHN CCC[C@H](CC)NC(=O)[C@H](N)CCCC#N ZINC000424116646 387559107 /nfs/dbraw/zinc/55/91/07/387559107.db2.gz XOFOZMYPICNKJE-WDEREUQCSA-N 0 3 225.336 1.702 20 30 BDEDHN C#Cc1ccc(CN2CC[C@H](CO)C2)cc1 ZINC000278909645 387559420 /nfs/dbraw/zinc/55/94/20/387559420.db2.gz JLYNRZFNOVLPBH-AWEZNQCLSA-N 0 3 215.296 1.482 20 30 BDEDHN C[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424118600 387560917 /nfs/dbraw/zinc/56/09/17/387560917.db2.gz BXUCQBXSDNNUDQ-NEPJUHHUSA-N 0 3 237.347 1.799 20 30 BDEDHN CC#CCCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899410 387671848 /nfs/dbraw/zinc/67/18/48/387671848.db2.gz YWWSJBDOSMJQNK-NXEZZACHSA-N 0 3 235.249 1.645 20 30 BDEDHN Cc1cncc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424143417 387748269 /nfs/dbraw/zinc/74/82/69/387748269.db2.gz JNDUHKAQSHHUOD-LLVKDONJSA-N 0 3 232.287 1.350 20 30 BDEDHN CCN(CCCO)Cc1cc(C#N)cs1 ZINC000353655789 387829476 /nfs/dbraw/zinc/82/94/76/387829476.db2.gz QNYJVZBVLYSZEP-UHFFFAOYSA-N 0 3 224.329 1.824 20 30 BDEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448691431 387873161 /nfs/dbraw/zinc/87/31/61/387873161.db2.gz QNDJOFNMDSYOFT-YRGRVCCFSA-N 0 3 249.358 1.527 20 30 BDEDHN CC(C)OC[C@H](CO)N(C)CCCC#N ZINC000433154570 387873444 /nfs/dbraw/zinc/87/34/44/387873444.db2.gz ZUXWKGOHKOUXEH-NSHDSACASA-N 0 3 214.309 1.008 20 30 BDEDHN N#C[C@@H]1CC[C@H](NCC(=O)NC2CCCCC2)C1 ZINC000442865952 387853406 /nfs/dbraw/zinc/85/34/06/387853406.db2.gz JRYDMFIDMXKVFE-YPMHNXCESA-N 0 3 249.358 1.717 20 30 BDEDHN CCN(CC)CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452564158 387858767 /nfs/dbraw/zinc/85/87/67/387858767.db2.gz YSGUZADJKCPVGR-RYUDHWBXSA-N 0 3 237.347 1.527 20 30 BDEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CC1(C)C ZINC000424183743 387897623 /nfs/dbraw/zinc/89/76/23/387897623.db2.gz WNWMDXBUBRZUPP-ZJUUUORDSA-N 0 3 223.320 1.264 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](N)[C@H](C)CC ZINC000424212651 387931055 /nfs/dbraw/zinc/93/10/55/387931055.db2.gz PWIIDTWHZRUYIK-RHYQMDGZSA-N 0 3 240.347 1.067 20 30 BDEDHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448600375 387927851 /nfs/dbraw/zinc/92/78/51/387927851.db2.gz GKCPQUZHCYPRHU-NQBHXWOUSA-N 0 3 235.331 1.137 20 30 BDEDHN CC(C)[C@@H](NC(=O)C(C)C#N)[C@@H](CO)C(C)C ZINC000452998114 387955647 /nfs/dbraw/zinc/95/56/47/387955647.db2.gz VCXUSOSFQPVWIQ-GRYCIOLGSA-N 0 3 240.347 1.551 20 30 BDEDHN C[C@H](C#N)C(=O)Nc1ccccc1CCN(C)C ZINC000438564764 387942370 /nfs/dbraw/zinc/94/23/70/387942370.db2.gz XLZFGOOHZAVFIH-LLVKDONJSA-N 0 3 245.326 1.889 20 30 BDEDHN COc1cnccc1[C@H](C)NC(=O)C(C)C#N ZINC000438611695 387947319 /nfs/dbraw/zinc/94/73/19/387947319.db2.gz OTZLECGFXNGPHA-IUCAKERBSA-N 0 3 233.271 1.427 20 30 BDEDHN C=CCN(C)CCN(CC)Cc1ccnn1C ZINC000439008909 387975131 /nfs/dbraw/zinc/97/51/31/387975131.db2.gz UUHVVMCTUNAUMX-UHFFFAOYSA-N 0 3 236.363 1.360 20 30 BDEDHN C=CCOCCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000339061708 135055624 /nfs/dbraw/zinc/05/56/24/135055624.db2.gz PIVCNSONOZRMIW-NEPJUHHUSA-N 0 3 212.337 1.213 20 30 BDEDHN C=C(Cl)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000159146356 387987554 /nfs/dbraw/zinc/98/75/54/387987554.db2.gz HWWPRKDMAJRIAN-SVRRBLITSA-N 0 3 204.701 1.229 20 30 BDEDHN C=CC[C@@H](CO)CN[C@H](C)c1nccn1CC ZINC000453160447 387999717 /nfs/dbraw/zinc/99/97/17/387999717.db2.gz HFSFBOOGTXJOFA-VXGBXAGGSA-N 0 3 237.347 1.738 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](COCC)C1 ZINC000246094004 388008412 /nfs/dbraw/zinc/00/84/12/388008412.db2.gz ADERZKMGCIXSJB-VXGBXAGGSA-N 0 3 240.347 1.036 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccnn1C ZINC000453378111 388064547 /nfs/dbraw/zinc/06/45/47/388064547.db2.gz YPTRSLQSPPZVCB-WZRBSPASSA-N 0 3 235.331 1.804 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cn(C)nc1C ZINC000453377741 388064623 /nfs/dbraw/zinc/06/46/23/388064623.db2.gz YPLMQUDKNGFBFE-WQAKAFBOSA-N 0 3 235.331 1.723 20 30 BDEDHN CN1CCC2(CCN(CCCC#N)CC2)C1=O ZINC000447430983 388070783 /nfs/dbraw/zinc/07/07/83/388070783.db2.gz JTTJXVCMYINBOC-UHFFFAOYSA-N 0 3 235.331 1.234 20 30 BDEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2cccnc2)C1 ZINC000645983331 388116222 /nfs/dbraw/zinc/11/62/22/388116222.db2.gz ZFVGQHNMHOJUEB-KGLIPLIRSA-N 0 3 232.327 1.808 20 30 BDEDHN C=CCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000488528379 388185449 /nfs/dbraw/zinc/18/54/49/388185449.db2.gz SVKGDTKKXIINDD-JQWIXIFHSA-N 0 3 237.347 1.297 20 30 BDEDHN C=C(C)[C@H](CO)N1CC[C@H](c2cccnc2)C1 ZINC000645983330 388116726 /nfs/dbraw/zinc/11/67/26/388116726.db2.gz ZFVGQHNMHOJUEB-KBPBESRZSA-N 0 3 232.327 1.808 20 30 BDEDHN C=C(C)CCNC(=O)NCCN(CC)C1CC1 ZINC000454464702 388119784 /nfs/dbraw/zinc/11/97/84/388119784.db2.gz JTIQVEYGSJGIJE-UHFFFAOYSA-N 0 3 239.363 1.736 20 30 BDEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448957420 388122693 /nfs/dbraw/zinc/12/26/93/388122693.db2.gz SIUWOEKRLPRAPS-YRGRVCCFSA-N 0 3 249.358 1.527 20 30 BDEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000454651968 388127223 /nfs/dbraw/zinc/12/72/23/388127223.db2.gz VVJNGTMLRFYECW-VXGBXAGGSA-N 0 3 239.363 1.735 20 30 BDEDHN C=C(C)CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000454651133 388127744 /nfs/dbraw/zinc/12/77/44/388127744.db2.gz UXHDNMLLUBHEKI-NEPJUHHUSA-N 0 3 239.363 1.735 20 30 BDEDHN C=C(CC)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000454653610 388128165 /nfs/dbraw/zinc/12/81/65/388128165.db2.gz XBLFNVRPPSPSGI-NSHDSACASA-N 0 3 237.347 1.489 20 30 BDEDHN C=C(CC)CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000454792263 388134062 /nfs/dbraw/zinc/13/40/62/388134062.db2.gz SDUSNPPFJIYLOP-RYUDHWBXSA-N 0 3 239.363 1.735 20 30 BDEDHN C[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765733 388139434 /nfs/dbraw/zinc/13/94/34/388139434.db2.gz DIHDUGAVTOXPIS-MRVPVSSYSA-N 0 3 224.691 1.682 20 30 BDEDHN C#CCN(CC)C[C@H](C)NC(=O)OC(C)(C)C ZINC000490720578 388250357 /nfs/dbraw/zinc/25/03/57/388250357.db2.gz SCPVZPITBMIAAX-NSHDSACASA-N 0 3 240.347 1.855 20 30 BDEDHN C#CCN(CC)C[C@@H](O)C1CCCCC1 ZINC000490741407 388251915 /nfs/dbraw/zinc/25/19/15/388251915.db2.gz RIWFJANKYGTWFH-CYBMUJFWSA-N 0 3 209.333 1.883 20 30 BDEDHN C=CCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937818 388253110 /nfs/dbraw/zinc/25/31/10/388253110.db2.gz AAXGRKVUINHCDV-VIFPVBQESA-N 0 3 202.248 1.198 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCCC(C)(C)CC1 ZINC000490851261 388256812 /nfs/dbraw/zinc/25/68/12/388256812.db2.gz GBGKRYNGEJNTOY-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C=C(C)CN(CCOC)[C@@H]1CCO[C@H]1C ZINC000489472043 388217457 /nfs/dbraw/zinc/21/74/57/388217457.db2.gz BRHLPFUNBHGPKB-NWDGAFQWSA-N 0 3 213.321 1.688 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(C(C)C)c1 ZINC000449523085 388223775 /nfs/dbraw/zinc/22/37/75/388223775.db2.gz WMGDAQGQVRZHEJ-OLZOCXBDSA-N 0 3 235.331 1.897 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC)n1 ZINC000449523719 388224556 /nfs/dbraw/zinc/22/45/56/388224556.db2.gz YEMYWAZRMVJJSA-NEPJUHHUSA-N 0 3 234.299 1.523 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)nc1 ZINC000449523762 388224635 /nfs/dbraw/zinc/22/46/35/388224635.db2.gz YIBRFHIERJGSKW-NEPJUHHUSA-N 0 3 234.299 1.523 20 30 BDEDHN CN(C)C(=O)CCNCc1cc(C#N)cs1 ZINC000086500255 256569855 /nfs/dbraw/zinc/56/98/55/256569855.db2.gz PFCHTXHPITUVNW-UHFFFAOYSA-N 0 3 237.328 1.188 20 30 BDEDHN C#CCN1CCC(C(=O)NC(C)(C)CC)CC1 ZINC000490574858 388240739 /nfs/dbraw/zinc/24/07/39/388240739.db2.gz CDOXSJLAUFUYJH-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCN1CCC(C(=O)NC2CCC2)CC1 ZINC000490590111 388241792 /nfs/dbraw/zinc/24/17/92/388241792.db2.gz NVQASXFFMWEMHQ-UHFFFAOYSA-N 0 3 220.316 1.000 20 30 BDEDHN C#CCN(CC)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000490616150 388242531 /nfs/dbraw/zinc/24/25/31/388242531.db2.gz IQQIJIINBRXHEM-LLVKDONJSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)N[C@H](C#C)CCC ZINC000491373987 388289747 /nfs/dbraw/zinc/28/97/47/388289747.db2.gz PKQDDSXAQOFIDM-CYBMUJFWSA-N 0 3 249.358 1.043 20 30 BDEDHN CC#CCN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451694232 388290385 /nfs/dbraw/zinc/29/03/85/388290385.db2.gz KKZZNZFJWNCJDK-AGIUHOORSA-N 0 3 207.317 1.493 20 30 BDEDHN C#C[C@@H](NC[C@H](O)Cc1ccccc1)C(C)C ZINC000491426768 388294041 /nfs/dbraw/zinc/29/40/41/388294041.db2.gz HNURCJMRSKIEAG-HUUCEWRRSA-N 0 3 231.339 1.837 20 30 BDEDHN C#CCN(CC1(COC)CCC1)C1CC1 ZINC000491438215 388294351 /nfs/dbraw/zinc/29/43/51/388294351.db2.gz APCZMMYYBYEGNL-UHFFFAOYSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CCN(CCC(=O)N1CCC[C@@H]1C)C1CC1 ZINC000491483621 388297803 /nfs/dbraw/zinc/29/78/03/388297803.db2.gz CTZGKLABDNWOQH-LBPRGKRZSA-N 0 3 234.343 1.485 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000491485698 388298128 /nfs/dbraw/zinc/29/81/28/388298128.db2.gz QJYVQQKABJJMSG-UTUOFQBUSA-N 0 3 249.358 1.323 20 30 BDEDHN C=CCOCCCN1CCN([C@@H](C)CC)CC1 ZINC000451838271 388299862 /nfs/dbraw/zinc/29/98/62/388299862.db2.gz IPWSQRWHYJJCJI-AWEZNQCLSA-N 0 3 240.391 1.995 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2cncn2)cc1 ZINC000491543291 388302658 /nfs/dbraw/zinc/30/26/58/388302658.db2.gz FTCBLGWZTOJEHV-GFCCVEGCSA-N 0 3 240.310 1.721 20 30 BDEDHN C#C[C@H](C)N(C)Cc1ccc(-n2cncn2)cc1 ZINC000491543293 388302696 /nfs/dbraw/zinc/30/26/96/388302696.db2.gz FTCBLGWZTOJEHV-LBPRGKRZSA-N 0 3 240.310 1.721 20 30 BDEDHN C#C[C@H](C)N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000491617869 388305026 /nfs/dbraw/zinc/30/50/26/388305026.db2.gz ACDARUFDZUFSNZ-QWRGUYRKSA-N 0 3 221.300 1.426 20 30 BDEDHN C#CCN(CCCc1cncn1C)C1CC1 ZINC000491620084 388305427 /nfs/dbraw/zinc/30/54/27/388305427.db2.gz FVFSNEPYRYXPJT-UHFFFAOYSA-N 0 3 217.316 1.450 20 30 BDEDHN C#CCN(C(=O)CN1CCC(C)(C)C1)C1CC1 ZINC000491634938 388307119 /nfs/dbraw/zinc/30/71/19/388307119.db2.gz KBGMPPOLEFFFRC-UHFFFAOYSA-N 0 3 234.343 1.343 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H](O)C1CCCCC1 ZINC000491637294 388307320 /nfs/dbraw/zinc/30/73/20/388307320.db2.gz WWYBBANBBVPVHB-YPMHNXCESA-N 0 3 209.333 1.881 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC1CCN(C2CC2)CC1 ZINC000491692706 388311571 /nfs/dbraw/zinc/31/15/71/388311571.db2.gz BJWXKHIRSIKSDA-LLVKDONJSA-N 0 3 249.358 1.324 20 30 BDEDHN C#CC(C)(C)N(C)CCc1cnn(CC)c1 ZINC000491710179 388313789 /nfs/dbraw/zinc/31/37/89/388313789.db2.gz SWBAIQGOUWYFKR-UHFFFAOYSA-N 0 3 219.332 1.789 20 30 BDEDHN C#CC(C)(C)N(C)CCO[C@H]1CCCCO1 ZINC000491736943 388316376 /nfs/dbraw/zinc/31/63/76/388316376.db2.gz NODBNLUVSNZBFK-LBPRGKRZSA-N 0 3 225.332 1.873 20 30 BDEDHN C#C[C@H](CCC)NC(=O)C1CCN(C)CC1 ZINC000491782795 388320689 /nfs/dbraw/zinc/32/06/89/388320689.db2.gz IZTZODXLUAXJII-GFCCVEGCSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CCCCCCCC1 ZINC000491812560 388322899 /nfs/dbraw/zinc/32/28/99/388322899.db2.gz OARFJWZGPFESHF-CYBMUJFWSA-N 0 3 236.359 1.781 20 30 BDEDHN C#C[C@@H](NC(=O)C1CCN(C)CC1)C(C)C ZINC000491022658 388265665 /nfs/dbraw/zinc/26/56/65/388265665.db2.gz SHWIQAZZMYBNJR-GFCCVEGCSA-N 0 3 222.332 1.102 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](C(C)C)C1 ZINC000491037366 388266646 /nfs/dbraw/zinc/26/66/46/388266646.db2.gz DAUKNKFDHLDARV-QWHCGFSZSA-N 0 3 236.359 1.492 20 30 BDEDHN 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/nfs/dbraw/zinc/60/88/33/583608833.db2.gz ZGXAWAPLPNXSFP-ILDUYXDCSA-N 0 3 237.303 1.039 20 30 BDEDHN COC[C@H](CC(C)C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159274 583609206 /nfs/dbraw/zinc/60/92/06/583609206.db2.gz CUMYKGXFGOTGFU-QWRGUYRKSA-N 0 3 244.335 1.017 20 30 BDEDHN C[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895160424 583609743 /nfs/dbraw/zinc/60/97/43/583609743.db2.gz MYLZTSFZBGTHAN-AAEUAGOBSA-N 0 3 248.326 1.760 20 30 BDEDHN CC1CCC([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895160850 583610039 /nfs/dbraw/zinc/61/00/39/583610039.db2.gz CDBGQWPFGRGRJW-VQXHTEKXSA-N 0 3 226.320 1.535 20 30 BDEDHN CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161263 583610323 /nfs/dbraw/zinc/61/03/23/583610323.db2.gz FMCWLLZCJKJVML-GUBZILKMSA-N 0 3 214.309 1.391 20 30 BDEDHN CC1(C)CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161831 583610637 /nfs/dbraw/zinc/61/06/37/583610637.db2.gz UWVJWDNJQPAZFL-UWVGGRQHSA-N 0 3 226.320 1.535 20 30 BDEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)C1CCC1 ZINC000895162055 583610641 /nfs/dbraw/zinc/61/06/41/583610641.db2.gz VZOUVTGYNCPNID-WCBMZHEXSA-N 0 3 212.293 1.145 20 30 BDEDHN CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162352 583610863 /nfs/dbraw/zinc/61/08/63/583610863.db2.gz KRJCXIREUZUTLJ-QWRGUYRKSA-N 0 3 240.347 1.925 20 30 BDEDHN C=CCC[C@@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895177878 583616302 /nfs/dbraw/zinc/61/63/02/583616302.db2.gz SWQYJCQTGUBFDG-RKDXNWHRSA-N 0 3 224.308 1.526 20 30 BDEDHN O=C1[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)CCCN1[O-] ZINC000895197131 583622835 /nfs/dbraw/zinc/62/28/35/583622835.db2.gz PKXXCYRZSZSWKI-JBLDHEPKSA-N 0 3 238.331 1.535 20 30 BDEDHN O=C1[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CCCN1[O-] ZINC000895197133 583623192 /nfs/dbraw/zinc/62/31/92/583623192.db2.gz PKXXCYRZSZSWKI-WRWGMCAJSA-N 0 3 238.331 1.535 20 30 BDEDHN C=C(CN(C)C)C(=O)N1Cc2cccnc2C1 ZINC000857874146 588918243 /nfs/dbraw/zinc/91/82/43/588918243.db2.gz KXBIKMXPIIRNDQ-UHFFFAOYSA-N 0 3 231.299 1.042 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(N(C)C)cc1C ZINC000895490903 583680662 /nfs/dbraw/zinc/68/06/62/583680662.db2.gz VLNGPKGLQCYXIY-AWEZNQCLSA-N 0 3 246.354 1.535 20 30 BDEDHN CO[C@H]1C[C@H](CNCc2cccc(C#N)n2)C1 ZINC000895540458 583687980 /nfs/dbraw/zinc/68/79/80/583687980.db2.gz YFXZUSCZCKHSNZ-MJHDQNEOSA-N 0 3 231.299 1.468 20 30 BDEDHN C=C[C@@H](C)ONC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895578383 583694802 /nfs/dbraw/zinc/69/48/02/583694802.db2.gz JQXFTQLPSNXIMU-GHMZBOCLSA-N 0 3 241.335 1.228 20 30 BDEDHN C=CCOc1ccccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895645229 583700548 /nfs/dbraw/zinc/70/05/48/583700548.db2.gz ALWRWQQEOJUSEF-UKRRQHHQSA-N 0 3 245.322 1.818 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccc(OC)cn1 ZINC000895668542 583705654 /nfs/dbraw/zinc/70/56/54/583705654.db2.gz LZNXHGFPHGTUBW-GFCCVEGCSA-N 0 3 248.326 1.608 20 30 BDEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000895681568 583708925 /nfs/dbraw/zinc/70/89/25/583708925.db2.gz RLGLJIWWCDBQDH-LLVKDONJSA-N 0 3 230.311 1.348 20 30 BDEDHN Cc1ccc(N[C@@H]2CCN(C)[C@@H]2C)nc1C#N ZINC000895737106 583718542 /nfs/dbraw/zinc/71/85/42/583718542.db2.gz QZJHTQOVYOWYMV-GHMZBOCLSA-N 0 3 230.315 1.766 20 30 BDEDHN C[C@H](CCC#N)CN1CCCn2nncc2C1 ZINC000895755748 583720581 /nfs/dbraw/zinc/72/05/81/583720581.db2.gz OJXMPYPJGSSPKZ-LLVKDONJSA-N 0 3 233.319 1.424 20 30 BDEDHN COC(OC)[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000895789672 583727761 /nfs/dbraw/zinc/72/77/61/583727761.db2.gz DAUYTBLEIHBKGC-DCAQKATOSA-N 0 3 226.320 1.666 20 30 BDEDHN C=C1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000896615241 583817756 /nfs/dbraw/zinc/81/77/56/583817756.db2.gz AGFJEDBHYIEAIA-VXGBXAGGSA-N 0 3 237.347 1.441 20 30 BDEDHN C[C@H]1COC[C@H]1NCc1cccc(C#N)n1 ZINC000896732361 583828177 /nfs/dbraw/zinc/82/81/77/583828177.db2.gz FNZXZIQGGIPFSS-JOYOIKCWSA-N 0 3 217.272 1.078 20 30 BDEDHN CC[C@@H](CN(C)C)OC(=O)c1cccc(C#N)n1 ZINC000870548078 583921853 /nfs/dbraw/zinc/92/18/53/583921853.db2.gz MARZMSUDVSAYRQ-NSHDSACASA-N 0 3 247.298 1.450 20 30 BDEDHN C[C@@H]1CC(=NNCC(C)(C)CO)CCN1C ZINC000799115670 583956156 /nfs/dbraw/zinc/95/61/56/583956156.db2.gz KPEKQBPPMNEIFJ-SNVBAGLBSA-N 0 3 227.352 1.065 20 30 BDEDHN C#Cc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000858226909 588939404 /nfs/dbraw/zinc/93/94/04/588939404.db2.gz QLFNSGSOLWGOJS-GJZGRUSLSA-N 0 3 245.322 1.297 20 30 BDEDHN C#CC[C@H](COC)N[C@@H](C)COC(C)C ZINC000858333836 588946546 /nfs/dbraw/zinc/94/65/46/588946546.db2.gz CLJAHSHSYIPFDR-NWDGAFQWSA-N 0 3 213.321 1.428 20 30 BDEDHN C#CC[C@H](COC)NCc1sccc1OC ZINC000858334803 588946595 /nfs/dbraw/zinc/94/65/95/588946595.db2.gz GGIJIMDUSCHCOP-SNVBAGLBSA-N 0 3 239.340 1.885 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cc(C)nn1C ZINC000858335110 588947145 /nfs/dbraw/zinc/94/71/45/588947145.db2.gz VLMFNAQACKGRJG-GFCCVEGCSA-N 0 3 235.331 1.247 20 30 BDEDHN C#CC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000785433587 584007866 /nfs/dbraw/zinc/00/78/66/584007866.db2.gz LSGDGZOLDSWONV-SWLSCSKDSA-N 0 3 244.338 1.736 20 30 BDEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000858368424 588949184 /nfs/dbraw/zinc/94/91/84/588949184.db2.gz KINDLLDUOBSSSY-DGCLKSJQSA-N 0 3 249.358 1.324 20 30 BDEDHN C=C1CCC(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000897825826 584052202 /nfs/dbraw/zinc/05/22/02/584052202.db2.gz PLOKVVMIKROZJS-UONOGXRCSA-N 0 3 248.370 1.895 20 30 BDEDHN C=CC(C)(C)NCc1cc(C(N)=O)cs1 ZINC000898458138 584137240 /nfs/dbraw/zinc/13/72/40/584137240.db2.gz XHUQFESSUGGLSG-UHFFFAOYSA-N 0 3 224.329 1.901 20 30 BDEDHN C=CC(C)(C)NCc1cnc(N(C)C)n1C ZINC000898460801 584137831 /nfs/dbraw/zinc/13/78/31/584137831.db2.gz SSZUBLXTYLQBGE-UHFFFAOYSA-N 0 3 222.336 1.540 20 30 BDEDHN C=CC(C)(C)NCc1cc(C(=O)OC)n(C)c1 ZINC000898460286 584138110 /nfs/dbraw/zinc/13/81/10/584138110.db2.gz JQYXAYDANIBLMS-UHFFFAOYSA-N 0 3 236.315 1.866 20 30 BDEDHN C=C1CN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000898705482 584152988 /nfs/dbraw/zinc/15/29/88/584152988.db2.gz IMRHZNPOVMWURM-UHFFFAOYSA-N 0 3 210.321 1.363 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899627048 584221427 /nfs/dbraw/zinc/22/14/27/584221427.db2.gz GBNYCZKVMZVTGH-GMTAPVOTSA-N 0 3 222.288 1.174 20 30 BDEDHN CC(C#N)C(=O)NCC1(C2(O)CCC2)CCC1 ZINC000899685320 584224219 /nfs/dbraw/zinc/22/42/19/584224219.db2.gz CEDGUTCGGSQMGG-SNVBAGLBSA-N 0 3 236.315 1.348 20 30 BDEDHN C#CC[C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858600249 588970152 /nfs/dbraw/zinc/97/01/52/588970152.db2.gz PWXGYBIOLSRQSR-LBPRGKRZSA-N 0 3 230.311 1.814 20 30 BDEDHN N#CC1(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)CCC1 ZINC000900397283 584302432 /nfs/dbraw/zinc/30/24/32/584302432.db2.gz HXWWKLHLIBFESS-RYUDHWBXSA-N 0 3 247.342 1.566 20 30 BDEDHN CS[C@H]1CCCC(=NNC2=N[C@@H](C)CN2)C1 ZINC000901216093 584401198 /nfs/dbraw/zinc/40/11/98/584401198.db2.gz OOBQLIOOLCBOKG-WPRPVWTQSA-N 0 3 240.376 1.585 20 30 BDEDHN CCNN=Cc1ccc(N(C)CCO)cc1 ZINC000901278717 584413654 /nfs/dbraw/zinc/41/36/54/584413654.db2.gz UNCVPYZHLTXMLA-UHFFFAOYSA-N 0 3 221.304 1.059 20 30 BDEDHN Cc1cc(/C=C2/C(=O)c3nccn3C2C)nn1C ZINC000901564161 584463526 /nfs/dbraw/zinc/46/35/26/584463526.db2.gz FQULVQNXRYUGDQ-FKVCUQLRSA-N 0 3 242.282 1.766 20 30 BDEDHN N#CCC[C@H](C#N)CNC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000901582107 584467345 /nfs/dbraw/zinc/46/73/45/584467345.db2.gz IUAOJTAPOWFNEE-RQJABVFESA-N 0 3 245.326 1.611 20 30 BDEDHN C=C[C@H](NCCN1CCC(C)(C)C1)C(=O)OC ZINC000901686419 584481419 /nfs/dbraw/zinc/48/14/19/584481419.db2.gz VFFXVCPGXQGGOS-NSHDSACASA-N 0 3 240.347 1.036 20 30 BDEDHN C#CCCOC(=O)NC[C@@H]1CCCN(C)C1 ZINC000858962759 588987127 /nfs/dbraw/zinc/98/71/27/588987127.db2.gz XBCRKWNOZZYXPC-NSHDSACASA-N 0 3 224.304 1.078 20 30 BDEDHN C#CCCOC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000859015772 588991175 /nfs/dbraw/zinc/99/11/75/588991175.db2.gz MXVAHKDGOSWLEV-RYUDHWBXSA-N 0 3 238.331 1.418 20 30 BDEDHN C[C@H](O)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902804634 584671509 /nfs/dbraw/zinc/67/15/09/584671509.db2.gz TZFJOGPEPLTWGV-UWVGGRQHSA-N 0 3 219.288 1.375 20 30 BDEDHN C=CCN1CCC(N[C@H](C)c2cn(C)nn2)CC1 ZINC000902796384 584674158 /nfs/dbraw/zinc/67/41/58/584674158.db2.gz PFWBJDJBPAMANF-LLVKDONJSA-N 0 3 249.362 1.116 20 30 BDEDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1cc(C#N)ccn1 ZINC000902801039 584675206 /nfs/dbraw/zinc/67/52/06/584675206.db2.gz ZEWIPPSPJDQHJE-QMTHXVAHSA-N 0 3 245.326 1.765 20 30 BDEDHN CC[C@@H](N[C@@H](C)CO)c1cccc(C#N)c1 ZINC000902821814 584675705 /nfs/dbraw/zinc/67/57/05/584675705.db2.gz LHICZDVKFQPOHX-GXFFZTMASA-N 0 3 218.300 1.980 20 30 BDEDHN C[C@H](N[C@H](CCO)C1CC1)c1cc(C#N)ccn1 ZINC000902872137 584683917 /nfs/dbraw/zinc/68/39/17/584683917.db2.gz DOEJFRLCIGWEMZ-GXFFZTMASA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](NCC(C)(C)CO)c1cc(C#N)ccn1 ZINC000902882181 584688102 /nfs/dbraw/zinc/68/81/02/584688102.db2.gz PLEHDZGKWMRVRL-SNVBAGLBSA-N 0 3 233.315 1.622 20 30 BDEDHN C[C@@H](NCCCF)c1cc(C#N)ccn1 ZINC000902882065 584688180 /nfs/dbraw/zinc/68/81/80/584688180.db2.gz TUUHDNPDMQETRE-SECBINFHSA-N 0 3 207.252 1.963 20 30 BDEDHN C[C@@H](N[C@@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000902888366 584689929 /nfs/dbraw/zinc/68/99/29/584689929.db2.gz SRORWFBGFXFEMB-ZWNOBZJWSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](CCC#N)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903024249 584721316 /nfs/dbraw/zinc/72/13/16/584721316.db2.gz UFQSZYKRSGPYHL-NWDGAFQWSA-N 0 3 245.330 1.655 20 30 BDEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2cn(C)nn2)CC1 ZINC000903088786 584725410 /nfs/dbraw/zinc/72/54/10/584725410.db2.gz SVPYMTKELXPDMS-SRVKXCTJSA-N 0 3 232.331 1.658 20 30 BDEDHN C=C1CC(c2noc(C[C@H]3CCN(C)C3)n2)C1 ZINC000904107960 584841618 /nfs/dbraw/zinc/84/16/18/584841618.db2.gz BWHZHWUHLDGTTJ-SNVBAGLBSA-N 0 3 233.315 1.997 20 30 BDEDHN CCN1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC000829939434 584907971 /nfs/dbraw/zinc/90/79/71/584907971.db2.gz GJKJARIVXYGAME-VXGBXAGGSA-N 0 3 222.332 1.102 20 30 BDEDHN Cc1cc(N=NC2CN(C(C)C)C[C@@H]2C)ncn1 ZINC000754258513 584916009 /nfs/dbraw/zinc/91/60/09/584916009.db2.gz KZZQUXZLOWGNNN-JTQLQIEISA-N 0 3 247.346 1.913 20 30 BDEDHN CC(C)(CO)CNN=C1CCc2cc(N)ccc21 ZINC000834975942 584916348 /nfs/dbraw/zinc/91/63/48/584916348.db2.gz SKVKBAQZCKEBOR-UHFFFAOYSA-N 0 3 247.342 1.527 20 30 BDEDHN C=C(C)CNC(=S)NC[C@H]1CCCN(C)C1 ZINC000730954622 584920716 /nfs/dbraw/zinc/92/07/16/584920716.db2.gz FTUYNWFIUWDMBV-LLVKDONJSA-N 0 3 241.404 1.368 20 30 BDEDHN CC[C@H](C(=O)NC1=NO[C@@H](C)C1)N(CC)CC ZINC000765456001 584937664 /nfs/dbraw/zinc/93/76/64/584937664.db2.gz UZKOEQQVCVROBB-VHSXEESVSA-N 0 3 241.335 1.345 20 30 BDEDHN C#CCCNC(=O)NC[C@@H]1CCCCN1CC ZINC000733347684 584947063 /nfs/dbraw/zinc/94/70/63/584947063.db2.gz GXSOSQJNJKBWET-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN C=CCN1CCC(NC(=O)C2=COCC2)CC1 ZINC000734127002 584958349 /nfs/dbraw/zinc/95/83/49/584958349.db2.gz LBHLRIGJQCIRCA-UHFFFAOYSA-N 0 3 236.315 1.057 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1CCOC12CCCCC2 ZINC000888305293 584994924 /nfs/dbraw/zinc/99/49/24/584994924.db2.gz BXTWIQGUZWJBNR-QWRGUYRKSA-N 0 3 236.315 1.754 20 30 BDEDHN Cc1cc(N(C)C)ccc1CNC(=O)C(C)C#N ZINC000736680255 585009483 /nfs/dbraw/zinc/00/94/83/585009483.db2.gz DRVFCARBCWLOQI-NSHDSACASA-N 0 3 245.326 1.837 20 30 BDEDHN C#CCOc1ccccc1CNC(=O)C(C)C#N ZINC000736680898 585009634 /nfs/dbraw/zinc/00/96/34/585009634.db2.gz ZRZIPMQKTWBNSF-NSHDSACASA-N 0 3 242.278 1.474 20 30 BDEDHN COc1ccc(O)c(CNC(=O)C(C)C#N)c1 ZINC000736680777 585009662 /nfs/dbraw/zinc/00/96/62/585009662.db2.gz UJZIQSMWKDKSKW-MRVPVSSYSA-N 0 3 234.255 1.177 20 30 BDEDHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(C)C#N ZINC000736684473 585009788 /nfs/dbraw/zinc/00/97/88/585009788.db2.gz WOJFSYXTHYONAF-QPUJVOFHSA-N 0 3 244.298 1.438 20 30 BDEDHN C[C@H]1CNC(NN=C2CC[C@@H]2C2CCC2)=N1 ZINC000814898885 585025368 /nfs/dbraw/zinc/02/53/68/585025368.db2.gz XLKBEZRVOKKZBJ-WCBMZHEXSA-N 0 3 220.320 1.490 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1nc(CC)cs1 ZINC000838295237 585052009 /nfs/dbraw/zinc/05/20/09/585052009.db2.gz QLPOXHSTLQCUND-UHFFFAOYSA-N 0 3 239.344 1.762 20 30 BDEDHN C=CCONC(=O)NCCN(C)CCCC ZINC000838706999 585065593 /nfs/dbraw/zinc/06/55/93/585065593.db2.gz ALJJULWOJUHHAJ-UHFFFAOYSA-N 0 3 229.324 1.135 20 30 BDEDHN C=CCONC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000838712681 585067188 /nfs/dbraw/zinc/06/71/88/585067188.db2.gz XEFNQNXOAOSCGD-VHSXEESVSA-N 0 3 239.319 1.028 20 30 BDEDHN N#Cc1cccc(C2(NC[C@H](O)C3CC3)CC2)c1 ZINC000838911932 585077895 /nfs/dbraw/zinc/07/78/95/585077895.db2.gz CAHLENZYBGLSQV-AWEZNQCLSA-N 0 3 242.322 1.908 20 30 BDEDHN C#CCN(CCC(=O)N1CCCC1)C1CC1 ZINC000838932465 585081551 /nfs/dbraw/zinc/08/15/51/585081551.db2.gz QVBXOMNTOKGXMO-UHFFFAOYSA-N 0 3 220.316 1.097 20 30 BDEDHN O=C(NO)c1cccc(CN2CCCCC2)c1 ZINC000839499622 585105659 /nfs/dbraw/zinc/10/56/59/585105659.db2.gz ZWIHKGQXWONLRY-UHFFFAOYSA-N 0 3 234.299 1.792 20 30 BDEDHN C#CC[C@@H](CO)NC/C=C\c1cccc(F)c1 ZINC000886120896 585105912 /nfs/dbraw/zinc/10/59/12/585105912.db2.gz QBHYSIDRPUBIFG-ZBKLQPJUSA-N 0 3 233.286 1.813 20 30 BDEDHN C#CCCN1CCC(NC(=O)C2CC2)CC1 ZINC000740736299 585106184 /nfs/dbraw/zinc/10/61/84/585106184.db2.gz NGUPUMPPAWERFV-UHFFFAOYSA-N 0 3 220.316 1.000 20 30 BDEDHN C=CCN(C(=O)CN(C)CCC)C(C)C 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234.343 1.246 20 30 BDEDHN C#CCNC(=O)CN1CCCC[C@@H]1CC(C)C ZINC000757859517 585346148 /nfs/dbraw/zinc/34/61/48/585346148.db2.gz BAKMGVNGSICKEK-CYBMUJFWSA-N 0 3 236.359 1.636 20 30 BDEDHN CC(=NN1CCN(C)CC1)c1ccc(N)cc1C ZINC000758090187 585348849 /nfs/dbraw/zinc/34/88/49/585348849.db2.gz NTAYLOXABPXPEE-UHFFFAOYSA-N 0 3 246.358 1.549 20 30 BDEDHN CCO[C@@H](CC)C(=O)C(C#N)c1ccncn1 ZINC000760341625 585390728 /nfs/dbraw/zinc/39/07/28/585390728.db2.gz SPUICGMFDRVIFF-KOLCDFICSA-N 0 3 233.271 1.468 20 30 BDEDHN C#CCCN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000760819586 585397744 /nfs/dbraw/zinc/39/77/44/585397744.db2.gz MUEMDNNOFCKZCD-CYBMUJFWSA-N 0 3 229.327 1.988 20 30 BDEDHN C[C@@H](C#N)CN(CCN1CCCC1)C1CC1 ZINC000760889097 585401503 /nfs/dbraw/zinc/40/15/03/585401503.db2.gz YYUHEWIJZJNPHQ-LBPRGKRZSA-N 0 3 221.348 1.706 20 30 BDEDHN C#CCOCCN(C)C[C@](C)(O)c1ccccc1 ZINC000761114157 585410463 /nfs/dbraw/zinc/41/04/63/585410463.db2.gz LNNPQNWGIFGFNO-HNNXBMFYSA-N 0 3 247.338 1.476 20 30 BDEDHN CC#CCNC(=O)NC[C@H](C)N1CCCCC1 ZINC000762589001 585434306 /nfs/dbraw/zinc/43/43/06/585434306.db2.gz PYNPGSNHAFKJAM-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN C#CCCCNC(=O)C1(N(C)C)CCC1 ZINC000763050853 585442419 /nfs/dbraw/zinc/44/24/19/585442419.db2.gz CTGHURLZMKCQDZ-UHFFFAOYSA-N 0 3 208.305 1.000 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000763903837 585456754 /nfs/dbraw/zinc/45/67/54/585456754.db2.gz UAJOHPQIHVDXMD-PHIMTYICSA-N 0 3 224.348 1.609 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cccc(COC)c1 ZINC000764186695 585461283 /nfs/dbraw/zinc/46/12/83/585461283.db2.gz OTJJXHNCLIRDHY-UHFFFAOYSA-N 0 3 248.326 1.889 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000764424486 585465435 /nfs/dbraw/zinc/46/54/35/585465435.db2.gz PXLMEGUEUIKMRR-LBPRGKRZSA-N 0 3 240.347 1.132 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cccc(O)c1 ZINC000764506606 585467025 /nfs/dbraw/zinc/46/70/25/585467025.db2.gz JVLGDBYYYWJTSR-UHFFFAOYSA-N 0 3 234.299 1.126 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(CCO)cc1 ZINC000764607637 585468766 /nfs/dbraw/zinc/46/87/66/585468766.db2.gz OINBBHYKUHJMSL-UHFFFAOYSA-N 0 3 248.326 1.278 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000764609406 585468781 /nfs/dbraw/zinc/46/87/81/585468781.db2.gz ZKQKSHMFUROLIV-ZDUSSCGKSA-N 0 3 249.358 1.693 20 30 BDEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764803650 585474515 /nfs/dbraw/zinc/47/45/15/585474515.db2.gz FFNWQDVNPPOQKX-AAEUAGOBSA-N 0 3 249.358 1.324 20 30 BDEDHN c1cnc(N=NC2CCN3CCC[C@@H]23)cn1 ZINC000765572164 585489884 /nfs/dbraw/zinc/48/98/84/585489884.db2.gz KAPAYNWPBZMSTG-JTQLQIEISA-N 0 3 217.276 1.113 20 30 BDEDHN CC#CCON=C(N)c1ccc(CN(C)C)cc1 ZINC000766064389 585497218 /nfs/dbraw/zinc/49/72/18/585497218.db2.gz NNCMTRXRCWFOBQ-UHFFFAOYSA-N 0 3 245.326 1.408 20 30 BDEDHN C#C[C@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766665935 585504873 /nfs/dbraw/zinc/50/48/73/585504873.db2.gz ZYGTYVIOPCVWRA-ZANVPECISA-N 0 3 247.294 1.272 20 30 BDEDHN C#C[C@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766665935 585504874 /nfs/dbraw/zinc/50/48/74/585504874.db2.gz ZYGTYVIOPCVWRA-ZANVPECISA-N 0 3 247.294 1.272 20 30 BDEDHN C#CCCOC(=O)N[C@@H]1CCN(CCC)C1 ZINC000859227510 589022871 /nfs/dbraw/zinc/02/28/71/589022871.db2.gz HRMAAUVEOFGWFC-LLVKDONJSA-N 0 3 224.304 1.220 20 30 BDEDHN C#CCCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000766907227 585511157 /nfs/dbraw/zinc/51/11/57/585511157.db2.gz XBHCKERHNDCTRP-VXGBXAGGSA-N 0 3 220.316 1.143 20 30 BDEDHN C[C@H]1CCCN1CCNc1cnc(C#N)cn1 ZINC000772090657 585608514 /nfs/dbraw/zinc/60/85/14/585608514.db2.gz IXPGAFSGUZVHRH-JTQLQIEISA-N 0 3 231.303 1.244 20 30 BDEDHN CCN(CC)CCOC(=O)C1(C#N)CC(C)C1 ZINC000772191404 585609666 /nfs/dbraw/zinc/60/96/66/585609666.db2.gz QTWRRNSIGGTVEB-UHFFFAOYSA-N 0 3 238.331 1.811 20 30 BDEDHN CCCCCCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000772223661 585610572 /nfs/dbraw/zinc/61/05/72/585610572.db2.gz UUCSUHIXWSFICI-LLVKDONJSA-N 0 3 248.392 1.320 20 30 BDEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000773368756 585635463 /nfs/dbraw/zinc/63/54/63/585635463.db2.gz HQUCUDNISKDOEZ-AWEZNQCLSA-N 0 3 248.370 1.875 20 30 BDEDHN C#CCCCCC(=O)C(C#N)C(=O)NCC=C ZINC000773768964 585642967 /nfs/dbraw/zinc/64/29/67/585642967.db2.gz GVTDBGIYDBDKDQ-NSHDSACASA-N 0 3 232.283 1.191 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773745054 585643103 /nfs/dbraw/zinc/64/31/03/585643103.db2.gz IVVIUSKIZAISJS-DTWKUNHWSA-N 0 3 248.282 1.305 20 30 BDEDHN CCOCCON=C1CN(C(C)C)C[C@@H]1C ZINC000774435332 585658731 /nfs/dbraw/zinc/65/87/31/585658731.db2.gz GIVAOLSSDRONQH-NSHDSACASA-N 0 3 228.336 1.756 20 30 BDEDHN C#C[C@@H](NCCc1c(C)noc1C)[C@@H]1CCCO1 ZINC000775789829 585684916 /nfs/dbraw/zinc/68/49/16/585684916.db2.gz FCWCHVFGTDHBNK-KGLIPLIRSA-N 0 3 248.326 1.604 20 30 BDEDHN C#C[C@@H](NCCOCCC(C)C)[C@H]1CCCO1 ZINC000775792922 585685086 /nfs/dbraw/zinc/68/50/86/585685086.db2.gz UFMHEQUOCPDMIE-ZIAGYGMSSA-N 0 3 239.359 1.820 20 30 BDEDHN C#C[C@@H](NCCOCCC(C)C)[C@@H]1CCCO1 ZINC000775792918 585685376 /nfs/dbraw/zinc/68/53/76/585685376.db2.gz UFMHEQUOCPDMIE-KGLIPLIRSA-N 0 3 239.359 1.820 20 30 BDEDHN C=CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000777547748 585714821 /nfs/dbraw/zinc/71/48/21/585714821.db2.gz GMCPNGQAIXVUHZ-GFCCVEGCSA-N 0 3 235.283 1.436 20 30 BDEDHN C=CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000777547748 585714822 /nfs/dbraw/zinc/71/48/22/585714822.db2.gz GMCPNGQAIXVUHZ-GFCCVEGCSA-N 0 3 235.283 1.436 20 30 BDEDHN CC(C)OCCN=NC1CN(C2CC2)C[C@H]1C ZINC000778546465 585736882 /nfs/dbraw/zinc/73/68/82/585736882.db2.gz JISMNEDJBGHHPX-LLVKDONJSA-N 0 3 239.363 1.471 20 30 BDEDHN CC(C)OCCNN=C1CCN(C)[C@@H](C)C1 ZINC000778547936 585736977 /nfs/dbraw/zinc/73/69/77/585736977.db2.gz MXTSJFTYEWSUAA-NSHDSACASA-N 0 3 227.352 1.471 20 30 BDEDHN N#Cc1ccc([C@@H](O)CN2CC=CCC2)cc1 ZINC000778965865 585743242 /nfs/dbraw/zinc/74/32/42/585743242.db2.gz GPVUCRIZCWAWMA-AWEZNQCLSA-N 0 3 228.295 1.854 20 30 BDEDHN C[C@H]1CNC(NN=CC2CCCCC2)=N1 ZINC000779793878 585764080 /nfs/dbraw/zinc/76/40/80/585764080.db2.gz YEXVDFBBWGJAHW-VIFPVBQESA-N 0 3 208.309 1.490 20 30 BDEDHN COc1cccc(N=NC2CCN(C)[C@H](C)C2)n1 ZINC000779817463 585766818 /nfs/dbraw/zinc/76/68/18/585766818.db2.gz OIHUXFBFDCJFHO-SNVBAGLBSA-N 0 3 248.330 1.972 20 30 BDEDHN CC(=NN[C@@H]1CCCOC1)c1ccc(N)cc1 ZINC000780261448 585775920 /nfs/dbraw/zinc/77/59/20/585775920.db2.gz NEZMATCKMYNFSG-CYBMUJFWSA-N 0 3 233.315 1.761 20 30 BDEDHN CON(Cc1ccccc1)C(=O)C(C)C#N ZINC000780784907 585784855 /nfs/dbraw/zinc/78/48/55/585784855.db2.gz YSELRCNSVGOFIA-JTQLQIEISA-N 0 3 218.256 1.736 20 30 BDEDHN C#CCCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000781943178 585805778 /nfs/dbraw/zinc/80/57/78/585805778.db2.gz MUACBLJOCKMQRB-CYBMUJFWSA-N 0 3 238.375 1.177 20 30 BDEDHN CCOc1ccc(C=NNC(=N)N)cc1F ZINC000782198640 585812006 /nfs/dbraw/zinc/81/20/06/585812006.db2.gz IVELSJXUKSZUAV-UHFFFAOYSA-N 0 3 224.239 1.041 20 30 BDEDHN C#C[C@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000782615562 585822400 /nfs/dbraw/zinc/82/24/00/585822400.db2.gz HTFUOFSCBFSZLR-NSHDSACASA-N 0 3 237.347 1.134 20 30 BDEDHN C#CC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000785433558 585873746 /nfs/dbraw/zinc/87/37/46/585873746.db2.gz LSGDGZOLDSWONV-DOMZBBRYSA-N 0 3 244.338 1.736 20 30 BDEDHN CC[C@@H](NC(=O)C(C#N)C(C)=O)c1ccccc1 ZINC000787034555 585900135 /nfs/dbraw/zinc/90/01/35/585900135.db2.gz AGOOLOJPOGAWGW-QWHCGFSZSA-N 0 3 244.294 1.983 20 30 BDEDHN CC(C#N)C(=O)NC(C)(C)C1CCOCC1 ZINC000787802457 585916638 /nfs/dbraw/zinc/91/66/38/585916638.db2.gz CNAAWXRGMAXBMG-VIFPVBQESA-N 0 3 224.304 1.467 20 30 BDEDHN C#CCCCN1CCCN(CCC)C(=O)C1 ZINC000788280006 585920800 /nfs/dbraw/zinc/92/08/00/585920800.db2.gz SYDPJNMXQQXETH-UHFFFAOYSA-N 0 3 222.332 1.344 20 30 BDEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000789452733 585942805 /nfs/dbraw/zinc/94/28/05/585942805.db2.gz VTCKRZSGRNEMBH-UTUOFQBUSA-N 0 3 237.347 1.383 20 30 BDEDHN C[C@@H](C#N)COC(=O)C1CCN(C2CC2)CC1 ZINC000805899201 585944859 /nfs/dbraw/zinc/94/48/59/585944859.db2.gz MRUWQWPZJSTOSJ-JTQLQIEISA-N 0 3 236.315 1.564 20 30 BDEDHN C[C@H]1CC(N=Nc2nccn2C)CCN1C ZINC000790305794 585963423 /nfs/dbraw/zinc/96/34/23/585963423.db2.gz OEFONSMMCGOEHK-VIFPVBQESA-N 0 3 221.308 1.302 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792923028 586006918 /nfs/dbraw/zinc/00/69/18/586006918.db2.gz UCHUTAPDEIJWIW-UPJWGTAASA-N 0 3 238.331 1.558 20 30 BDEDHN CCN1CCC(=NOCCCOC)[C@H](C)C1 ZINC000795041309 586066375 /nfs/dbraw/zinc/06/63/75/586066375.db2.gz BXWAAMDDLYSBOH-LLVKDONJSA-N 0 3 228.336 1.757 20 30 BDEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(N)=O ZINC000795328406 586074897 /nfs/dbraw/zinc/07/48/97/586074897.db2.gz GSKKPKNODTXHCO-WCQYABFASA-N 0 3 230.311 1.084 20 30 BDEDHN Cc1cc(CNCCn2cnc(C#N)n2)c(C)o1 ZINC000796497416 586104984 /nfs/dbraw/zinc/10/49/84/586104984.db2.gz JQRLDZDFWRRMDH-UHFFFAOYSA-N 0 3 245.286 1.149 20 30 BDEDHN C#CCCN1CCN(c2ccncc2OC)CC1 ZINC000796575204 586107104 /nfs/dbraw/zinc/10/71/04/586107104.db2.gz KKBIMIRXYUCLLS-UHFFFAOYSA-N 0 3 245.326 1.236 20 30 BDEDHN C#CCN(Cc1ccccc1)C[C@@H](C)CO ZINC000796642053 586108917 /nfs/dbraw/zinc/10/89/17/586108917.db2.gz WPZUYAVCGMEICC-CYBMUJFWSA-N 0 3 217.312 1.750 20 30 BDEDHN CNC(=O)C(C#N)C(=O)CCCOC(C)(C)C ZINC000796798665 586113148 /nfs/dbraw/zinc/11/31/48/586113148.db2.gz PEXUQKWNKHVZSV-SECBINFHSA-N 0 3 240.303 1.037 20 30 BDEDHN C[C@H](C#N)OCCN1CCC(c2cn[nH]c2)CC1 ZINC000801916757 586276321 /nfs/dbraw/zinc/27/63/21/586276321.db2.gz DMQOHGUZTNKLKW-LLVKDONJSA-N 0 3 248.330 1.518 20 30 BDEDHN Cc1ccccc1[C@H](CO)NCCO[C@H](C)C#N ZINC000801939648 586280327 /nfs/dbraw/zinc/28/03/27/586280327.db2.gz UTFMAQCUVQXVOW-OCCSQVGLSA-N 0 3 248.326 1.547 20 30 BDEDHN C=CCN1CCN(CN2CCC[C@@H]2C2CC2)C1=O ZINC000839989651 586332468 /nfs/dbraw/zinc/33/24/68/586332468.db2.gz WLHOMSVYGJLTJG-CYBMUJFWSA-N 0 3 249.358 1.742 20 30 BDEDHN C#CCCOC(=O)CC[C@@H]1CCCCN1C ZINC000803857627 586377356 /nfs/dbraw/zinc/37/73/56/586377356.db2.gz HOMVOZHIHCSJPT-LBPRGKRZSA-N 0 3 223.316 1.817 20 30 BDEDHN Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000804484970 586397129 /nfs/dbraw/zinc/39/71/29/586397129.db2.gz ZJUCKOFUDDPKQP-DMDPSCGWSA-N 0 3 246.310 1.693 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@]1(CCC)CCOC1 ZINC000804535445 586398216 /nfs/dbraw/zinc/39/82/16/586398216.db2.gz MHRMTHHQLLDAFL-CYBMUJFWSA-N 0 3 240.347 1.180 20 30 BDEDHN C=CCCCCCCNC(=O)NCCN(C)C ZINC000807572614 586446255 /nfs/dbraw/zinc/44/62/55/586446255.db2.gz MYPCRAZITWUWKA-UHFFFAOYSA-N 0 3 241.379 1.984 20 30 BDEDHN C#CCNC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000809894896 586522130 /nfs/dbraw/zinc/52/21/30/586522130.db2.gz LGSLHOFBCFUPBY-HNNXBMFYSA-N 0 3 242.322 1.477 20 30 BDEDHN Cc1cnn([C@H]2CCN(CCO[C@H](C)C#N)C2)c1 ZINC000810125507 586534840 /nfs/dbraw/zinc/53/48/40/586534840.db2.gz XKHTWUJKVHXGPU-OLZOCXBDSA-N 0 3 248.330 1.367 20 30 BDEDHN CN(C)c1ncc(C=NNC2CCCC2)n1C ZINC000811641283 586562283 /nfs/dbraw/zinc/56/22/83/586562283.db2.gz VONBEDIPNFHBAR-UHFFFAOYSA-N 0 3 235.335 1.352 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC[C@H]1CCCN1CC ZINC000812055781 586570026 /nfs/dbraw/zinc/57/00/26/586570026.db2.gz BWTCFAOZWWOKAV-VXGBXAGGSA-N 0 3 237.347 1.182 20 30 BDEDHN C#CCN(C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000812149015 586570132 /nfs/dbraw/zinc/57/01/32/586570132.db2.gz BNIKEJGWXDQBJB-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN CC(C)(C)c1cnc(C=NNC(=N)N)s1 ZINC000814796834 586634771 /nfs/dbraw/zinc/63/47/71/586634771.db2.gz RQOHLYFVBQSSHU-UHFFFAOYSA-N 0 3 225.321 1.258 20 30 BDEDHN COCC(=NNC(=N)N)c1ccc(Cl)cc1 ZINC000814796839 586634991 /nfs/dbraw/zinc/63/49/91/586634991.db2.gz RYBLHCAHMKLTHE-UHFFFAOYSA-N 0 3 240.694 1.174 20 30 BDEDHN C[C@@H](CO)NN=C1CCCc2ccc(N)cc21 ZINC000814865445 586640275 /nfs/dbraw/zinc/64/02/75/586640275.db2.gz VUGVCOXAOSGNBI-VIFPVBQESA-N 0 3 233.315 1.280 20 30 BDEDHN COCCCNN=C1CCCc2ccc(N)cc21 ZINC000814919506 586650873 /nfs/dbraw/zinc/65/08/73/586650873.db2.gz TZWCUWLMNRTBLB-UHFFFAOYSA-N 0 3 247.342 1.935 20 30 BDEDHN C[C@H](O)CNN=C1CCCc2ccc(N)cc21 ZINC000814963149 586660786 /nfs/dbraw/zinc/66/07/86/586660786.db2.gz DNZODBICSLCXOZ-VIFPVBQESA-N 0 3 233.315 1.280 20 30 BDEDHN C#CCCN1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000815077156 586665512 /nfs/dbraw/zinc/66/55/12/586665512.db2.gz AFCQDDCYSIKSBT-KBPBESRZSA-N 0 3 231.343 1.320 20 30 BDEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000815691807 586691336 /nfs/dbraw/zinc/69/13/36/586691336.db2.gz BQPRGDVBTCZDCF-UWVGGRQHSA-N 0 3 246.301 1.797 20 30 BDEDHN C=CCC(F)(F)C(=O)NCCN1CC[C@@H](C)C1 ZINC000815737564 586693103 /nfs/dbraw/zinc/69/31/03/586693103.db2.gz PBGOENVMYBDBFT-SNVBAGLBSA-N 0 3 246.301 1.656 20 30 BDEDHN C=C(Cl)CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000817159025 586784610 /nfs/dbraw/zinc/78/46/10/586784610.db2.gz IDYAGZRATDCEOC-JTQLQIEISA-N 0 3 245.754 1.475 20 30 BDEDHN CN(C[C@@H](C#N)CCC#N)C[C@H]1CCCN1C ZINC000817291895 586793465 /nfs/dbraw/zinc/79/34/65/586793465.db2.gz REYPXFUCBIXLRE-CHWSQXEVSA-N 0 3 234.347 1.456 20 30 BDEDHN CN(C[C@@H](C#N)CCC#N)C[C@@H]1CCCN1C ZINC000817291900 586793486 /nfs/dbraw/zinc/79/34/86/586793486.db2.gz REYPXFUCBIXLRE-OLZOCXBDSA-N 0 3 234.347 1.456 20 30 BDEDHN CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N)cc1C ZINC000817338734 586797346 /nfs/dbraw/zinc/79/73/46/586797346.db2.gz YJOYUBBYDLOKCY-ZIAGYGMSSA-N 0 3 247.342 1.804 20 30 BDEDHN CCCCCCN(C)CC(=O)N1CC(C#N)C1 ZINC000817553248 586811084 /nfs/dbraw/zinc/81/10/84/586811084.db2.gz AKJGYIRHFIKNIU-UHFFFAOYSA-N 0 3 237.347 1.480 20 30 BDEDHN C=C(Cl)CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000817903370 586836044 /nfs/dbraw/zinc/83/60/44/586836044.db2.gz AAWINCKTOVKSBL-MNOVXSKESA-N 0 3 230.739 1.096 20 30 BDEDHN C[C@@H](C#N)OCCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925526 589071310 /nfs/dbraw/zinc/07/13/10/589071310.db2.gz NFFRIEGBLZCKBM-RWMBFGLXSA-N 0 3 238.331 1.009 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@H]1CC12CCC2 ZINC000818593374 586904212 /nfs/dbraw/zinc/90/42/12/586904212.db2.gz WJXKAIFITRJBJH-GFCCVEGCSA-N 0 3 234.343 1.248 20 30 BDEDHN C#CCN(C)CCCNC(=O)C/C=C(\C)C=C ZINC000818603170 586905587 /nfs/dbraw/zinc/90/55/87/586905587.db2.gz RSJXRQGITUCYJF-MDWZMJQESA-N 0 3 234.343 1.580 20 30 BDEDHN C=C(Br)CNC[C@H](O)CSC ZINC000818979101 586916614 /nfs/dbraw/zinc/91/66/14/586916614.db2.gz HBEAUBGKZPGCCM-ZETCQYMHSA-N 0 3 240.166 1.209 20 30 BDEDHN C#CC[C@H](NCCC(N)=O)c1ccccc1 ZINC000819192045 586937112 /nfs/dbraw/zinc/93/71/12/586937112.db2.gz WVVSIXULBSGBJK-LBPRGKRZSA-N 0 3 216.284 1.216 20 30 BDEDHN C#CCOCCNC[C@H](O)c1ccccc1F ZINC000819231236 586940996 /nfs/dbraw/zinc/94/09/96/586940996.db2.gz RNOOZIKEPJWSSO-ZDUSSCGKSA-N 0 3 237.274 1.099 20 30 BDEDHN C#CCCCNC(=O)CN(C)CC(C)(C)C ZINC000820346972 587044501 /nfs/dbraw/zinc/04/45/01/587044501.db2.gz QTIYFDDEFQFVTC-UHFFFAOYSA-N 0 3 224.348 1.494 20 30 BDEDHN C=CCN1CCC(N[C@H](C)c2cnnn2C)CC1 ZINC000820809486 587073935 /nfs/dbraw/zinc/07/39/35/587073935.db2.gz BREYHSLTHQCAFC-LLVKDONJSA-N 0 3 249.362 1.116 20 30 BDEDHN C#CC[C@@H](CO)NCc1cnc2ccc(C)cn12 ZINC000821206324 587101574 /nfs/dbraw/zinc/10/15/74/587101574.db2.gz BUMGKVGGABNZJZ-LBPRGKRZSA-N 0 3 243.310 1.117 20 30 BDEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC(=O)O1 ZINC000821343503 587109546 /nfs/dbraw/zinc/10/95/46/587109546.db2.gz XVJUHPZUEYLHBT-CYBMUJFWSA-N 0 3 244.294 1.696 20 30 BDEDHN CC(C)C#CC(=O)NCCN1CCC(C)CC1 ZINC000822059005 587150427 /nfs/dbraw/zinc/15/04/27/587150427.db2.gz KZZPBOBFJODJDO-UHFFFAOYSA-N 0 3 236.359 1.494 20 30 BDEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CC)C1 ZINC000822787960 587186327 /nfs/dbraw/zinc/18/63/27/587186327.db2.gz UECRIRODMQWJMW-NEPJUHHUSA-N 0 3 224.348 1.799 20 30 BDEDHN C#CCCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000824374803 587268110 /nfs/dbraw/zinc/26/81/10/587268110.db2.gz LLRUSCBLADGPQI-QWHCGFSZSA-N 0 3 249.358 1.135 20 30 BDEDHN C#Cc1ccc(CN[C@H](CC)C(=O)NC)cc1 ZINC000825316789 587314589 /nfs/dbraw/zinc/31/45/89/587314589.db2.gz UHWRKRDJZQFJDK-CYBMUJFWSA-N 0 3 230.311 1.282 20 30 BDEDHN C#Cc1ccc(CN[C@@H](CC)C(=O)NC)cc1 ZINC000825316790 587314608 /nfs/dbraw/zinc/31/46/08/587314608.db2.gz UHWRKRDJZQFJDK-ZDUSSCGKSA-N 0 3 230.311 1.282 20 30 BDEDHN CN1CC[C@H](CNC(=O)C#Cc2cccs2)C1 ZINC000825378542 587317604 /nfs/dbraw/zinc/31/76/04/587317604.db2.gz CIJRCYPSNNHFSU-LLVKDONJSA-N 0 3 248.351 1.168 20 30 BDEDHN CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H](C)C#N ZINC000825635494 587328687 /nfs/dbraw/zinc/32/86/87/587328687.db2.gz QAEPAGGQHAQKCG-RYUDHWBXSA-N 0 3 237.347 1.620 20 30 BDEDHN N#Cc1cnn2cc(CN[C@H]3C=CCC3)cnc12 ZINC000826940276 587366016 /nfs/dbraw/zinc/36/60/16/587366016.db2.gz BKSWWCSLPXABFF-LBPRGKRZSA-N 0 3 239.282 1.409 20 30 BDEDHN C#Cc1cnc(NCCN2CCCC[C@H]2C)nc1 ZINC000827395939 587379594 /nfs/dbraw/zinc/37/95/94/587379594.db2.gz PDCLAAGPEWOXGU-GFCCVEGCSA-N 0 3 244.342 1.744 20 30 BDEDHN C#C[C@H](NCc1cc(C)nn1C)C1CCOCC1 ZINC000827555406 587387731 /nfs/dbraw/zinc/38/77/31/587387731.db2.gz SWUPJYWBIXSOSP-AWEZNQCLSA-N 0 3 247.342 1.247 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000827559486 587388041 /nfs/dbraw/zinc/38/80/41/587388041.db2.gz GCEADLUENSLGED-BNOWGMLFSA-N 0 3 232.327 1.697 20 30 BDEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN1C ZINC000827624144 587392942 /nfs/dbraw/zinc/39/29/42/587392942.db2.gz CHGVFJBYHVGBIU-NEPJUHHUSA-N 0 3 224.348 1.799 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000828595707 587452206 /nfs/dbraw/zinc/45/22/06/587452206.db2.gz MDKSQCQQSBQJFJ-QWHCGFSZSA-N 0 3 236.359 1.587 20 30 BDEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000828676992 587456790 /nfs/dbraw/zinc/45/67/90/587456790.db2.gz BEOVBSNVTVZWEV-VXGBXAGGSA-N 0 3 222.332 1.245 20 30 BDEDHN CC(C)C#CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000828676988 587457153 /nfs/dbraw/zinc/45/71/53/587457153.db2.gz BEOVBSNVTVZWEV-NWDGAFQWSA-N 0 3 222.332 1.245 20 30 BDEDHN C[C@H]1CCCN1CCNC(=O)CC1(C#N)CC1 ZINC000828839981 587465446 /nfs/dbraw/zinc/46/54/46/587465446.db2.gz IXUPHAVAMMBGEF-NSHDSACASA-N 0 3 235.331 1.281 20 30 BDEDHN C[C@@H]1CCCN1CCNC(=O)CC1(C#N)CC1 ZINC000828839974 587465501 /nfs/dbraw/zinc/46/55/01/587465501.db2.gz IXUPHAVAMMBGEF-LLVKDONJSA-N 0 3 235.331 1.281 20 30 BDEDHN 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C=CC(C)(C)CCNC(=O)C1(N)CCC1 ZINC000638454607 352263487 /nfs/dbraw/zinc/26/34/87/352263487.db2.gz JTNOXDZSSOVDSB-UHFFFAOYSA-N 0 3 210.321 1.586 20 30 BDEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCCN1 ZINC000638454912 352264175 /nfs/dbraw/zinc/26/41/75/352264175.db2.gz NSUGSRJDJFCEKZ-NSHDSACASA-N 0 3 224.348 1.847 20 30 BDEDHN C=CC(C)(C)CCNC(=O)[C@H](C)NCC ZINC000638455415 352265127 /nfs/dbraw/zinc/26/51/27/352265127.db2.gz VUFZMQMAOJRRCF-JTQLQIEISA-N 0 3 212.337 1.703 20 30 BDEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c(O)cccc21 ZINC000291380030 352273806 /nfs/dbraw/zinc/27/38/06/352273806.db2.gz ZJGDWYKRHSCAQV-GXFFZTMASA-N 0 3 233.311 1.906 20 30 BDEDHN COCCCOCCN(C)[C@H](C)CCC#N ZINC000411437953 191186433 /nfs/dbraw/zinc/18/64/33/191186433.db2.gz BFDGUSIBNIWAMC-GFCCVEGCSA-N 0 3 228.336 1.664 20 30 BDEDHN CC[C@H](C#N)C(=O)N[C@H]1CCCN(CC)C1 ZINC000044825282 352442870 /nfs/dbraw/zinc/44/28/70/352442870.db2.gz AXIPQRBEJMSDAB-MNOVXSKESA-N 0 3 223.320 1.137 20 30 BDEDHN CCCN(CC(=O)OCC)C(=O)C(C#N)CC ZINC000044827059 352443129 /nfs/dbraw/zinc/44/31/29/352443129.db2.gz BYHYILWSJRAHMQ-JTQLQIEISA-N 0 3 240.303 1.338 20 30 BDEDHN N#CCCCCN1CCN(CCCCC#N)CC1 ZINC000151280094 352548748 /nfs/dbraw/zinc/54/87/48/352548748.db2.gz QLAVAMXCFYEUSA-UHFFFAOYSA-N 0 3 248.374 1.992 20 30 BDEDHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)C#N ZINC000300534473 352565826 /nfs/dbraw/zinc/56/58/26/352565826.db2.gz GJYICFBMWYLGTM-MNOVXSKESA-N 0 3 223.320 1.089 20 30 BDEDHN C=CCN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411968445 191235203 /nfs/dbraw/zinc/23/52/03/191235203.db2.gz JQOYIEYGKBIUEN-AWEZNQCLSA-N 0 3 230.311 1.301 20 30 BDEDHN C=CCNC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412033264 191243778 /nfs/dbraw/zinc/24/37/78/191243778.db2.gz CZRGEIWLYREZOY-JTQLQIEISA-N 0 3 210.321 1.409 20 30 BDEDHN C=CCNC(=O)CN1CC(C)(C)C[C@H]1C ZINC000412033586 191243849 /nfs/dbraw/zinc/24/38/49/191243849.db2.gz CZRGEIWLYREZOY-SNVBAGLBSA-N 0 3 210.321 1.409 20 30 BDEDHN C=CCOCCN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000412069136 191251939 /nfs/dbraw/zinc/25/19/39/191251939.db2.gz GSFKSIBZDRILFV-LBPRGKRZSA-N 0 3 240.347 1.178 20 30 BDEDHN C=CCCC[C@H](C)N1CCO[C@@H]([C@H](C)O)C1 ZINC000412090450 191256269 /nfs/dbraw/zinc/25/62/69/191256269.db2.gz PGNLKIIDMUWPQQ-RWMBFGLXSA-N 0 3 227.348 1.813 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H](CC2CC2)C1 ZINC000334251582 352888044 /nfs/dbraw/zinc/88/80/44/352888044.db2.gz VKXOKIWBZCUSOA-MWLCHTKSSA-N 0 3 206.289 1.795 20 30 BDEDHN C=CCCN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000334253105 352890441 /nfs/dbraw/zinc/89/04/41/352890441.db2.gz WUOCUYLWDXLHOZ-NEPJUHHUSA-N 0 3 211.305 1.442 20 30 BDEDHN C[C@H]1CC[C@@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC000334323568 352961042 /nfs/dbraw/zinc/96/10/42/352961042.db2.gz JVAQRMDZXHQTNL-WCQYABFASA-N 0 3 235.331 1.138 20 30 BDEDHN C=C(C)CN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000334331109 352967627 /nfs/dbraw/zinc/96/76/27/352967627.db2.gz PLWAZYHGBUGQSI-CHWSQXEVSA-N 0 3 224.348 1.358 20 30 BDEDHN CCCCCN(CCO)Cc1cc(C#N)n(C)c1 ZINC000191212860 168690808 /nfs/dbraw/zinc/69/08/08/168690808.db2.gz WHUIVDYALYNUOQ-UHFFFAOYSA-N 0 3 249.358 1.881 20 30 BDEDHN CC[C@H](C#N)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000344788795 353114807 /nfs/dbraw/zinc/11/48/07/353114807.db2.gz RQNNIUSFXISRJG-OUAUKWLOSA-N 0 3 223.320 1.278 20 30 BDEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)CO ZINC000336724801 188012970 /nfs/dbraw/zinc/01/29/70/188012970.db2.gz KCJIKGMYRYKZRP-AWEZNQCLSA-N 0 3 248.326 1.122 20 30 BDEDHN C=CC[C@H](C)NC(=O)[C@H](N)CCSC ZINC000163652057 188017024 /nfs/dbraw/zinc/01/70/24/188017024.db2.gz MPSSETNIQLFFJD-DTWKUNHWSA-N 0 3 216.350 1.148 20 30 BDEDHN Cc1c(C#N)cccc1C(=O)N(C)CCN(C)C ZINC000338134772 188017070 /nfs/dbraw/zinc/01/70/70/188017070.db2.gz QECGAQUBZDIIFK-UHFFFAOYSA-N 0 3 245.326 1.500 20 30 BDEDHN N#Cc1ncn(CCNCc2cccc(F)c2)n1 ZINC000285439870 188034348 /nfs/dbraw/zinc/03/43/48/188034348.db2.gz IGIPETLSYJOYFH-UHFFFAOYSA-N 0 3 245.261 1.079 20 30 BDEDHN CC(C)N(Cc1cc(C#N)n(C)c1)[C@H]1CCOC1 ZINC000291206850 188037023 /nfs/dbraw/zinc/03/70/23/188037023.db2.gz ICNMGURGEGTXEQ-ZDUSSCGKSA-N 0 3 247.342 1.896 20 30 BDEDHN CC(C)N(CCN(C)C)c1nccc(C#N)n1 ZINC000295132577 188038490 /nfs/dbraw/zinc/03/84/90/188038490.db2.gz YIDCLJWBQQKGAV-UHFFFAOYSA-N 0 3 233.319 1.125 20 30 BDEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1CCCOC1 ZINC000336755969 353150757 /nfs/dbraw/zinc/15/07/57/353150757.db2.gz JDJJGGRJJXEKIT-GHMZBOCLSA-N 0 3 208.305 1.695 20 30 BDEDHN C=CCC[C@H](O)CN(CC)Cc1cnn(C)c1 ZINC000126108225 353218717 /nfs/dbraw/zinc/21/87/17/353218717.db2.gz BKIQUOYGHAGNQU-ZDUSSCGKSA-N 0 3 237.347 1.569 20 30 BDEDHN Cc1nnsc1C(=O)NC[C@H](C)N(C)C ZINC000330970457 353205385 /nfs/dbraw/zinc/20/53/85/353205385.db2.gz JMIVBCBJWBIOGI-LURJTMIESA-N 0 3 228.321 1.101 20 30 BDEDHN C=CCOCCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000608126976 353275167 /nfs/dbraw/zinc/27/51/67/353275167.db2.gz PICNNDBOKOWZPW-GFCCVEGCSA-N 0 3 240.347 1.180 20 30 BDEDHN C=CCCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000126972032 353263629 /nfs/dbraw/zinc/26/36/29/353263629.db2.gz CKKPFAIZLAHTCW-GFCCVEGCSA-N 0 3 226.364 1.997 20 30 BDEDHN C=CCN(C)C[C@H](O)COCc1ccccc1 ZINC000127166581 353264440 /nfs/dbraw/zinc/26/44/40/353264440.db2.gz GTYCDWMDBIPLJU-AWEZNQCLSA-N 0 3 235.327 1.682 20 30 BDEDHN C=CCN(CCO)Cc1ccc(OC)cc1 ZINC000129158454 353306782 /nfs/dbraw/zinc/30/67/82/353306782.db2.gz FQLJMFYPMQNOAS-UHFFFAOYSA-N 0 3 221.300 1.676 20 30 BDEDHN C#CCN(C)CCCC(=O)OC(C)(C)C ZINC000076415700 353335451 /nfs/dbraw/zinc/33/54/51/353335451.db2.gz NXHKCHPYKFSUDL-UHFFFAOYSA-N 0 3 211.305 1.673 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N(CC)CCCC ZINC000131886255 353372977 /nfs/dbraw/zinc/37/29/77/353372977.db2.gz QIAUOXSUWOWSSK-LLVKDONJSA-N 0 3 212.337 1.799 20 30 BDEDHN C#CCOc1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000132124519 353373613 /nfs/dbraw/zinc/37/36/13/353373613.db2.gz SOHJASSHXYGYSP-CQSZACIVSA-N 0 3 245.322 1.919 20 30 BDEDHN C=CCN(C)Cc1c[nH]c2ncncc12 ZINC000639068686 353379270 /nfs/dbraw/zinc/37/92/70/353379270.db2.gz ZBDWOFQRMOGIOG-UHFFFAOYSA-N 0 3 202.261 1.527 20 30 BDEDHN COC[C@@H](NCc1ccc(C#N)cn1)C(C)C ZINC000563741393 353444541 /nfs/dbraw/zinc/44/45/41/353444541.db2.gz WUPSXKOBAZAZCM-CYBMUJFWSA-N 0 3 233.315 1.714 20 30 BDEDHN C=CCCCN(C)[C@H]1CCN(CC=C)C1=O ZINC000281151010 353431973 /nfs/dbraw/zinc/43/19/73/353431973.db2.gz BGOMZNZKCUOVSV-LBPRGKRZSA-N 0 3 222.332 1.671 20 30 BDEDHN C=CCN1CC[C@H](N2CCC[C@H]2C)C1=O ZINC000281965923 353459896 /nfs/dbraw/zinc/45/98/96/353459896.db2.gz KSYXRYGGAWEOGZ-MNOVXSKESA-N 0 3 208.305 1.258 20 30 BDEDHN C=CCCN(CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282527792 353475672 /nfs/dbraw/zinc/47/56/72/353475672.db2.gz QEUQKGDTWBOPNL-JTQLQIEISA-N 0 3 224.304 1.032 20 30 BDEDHN C=CCNC(=O)C(C)S(=O)(=O)C[C@H](C)CC ZINC000285162715 166384681 /nfs/dbraw/zinc/38/46/81/166384681.db2.gz QZTPHVUXDBBOEP-NXEZZACHSA-N 0 3 247.360 1.138 20 30 BDEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)CC ZINC000135045032 353525898 /nfs/dbraw/zinc/52/58/98/353525898.db2.gz NNRGTHPQXFBGNC-LBPRGKRZSA-N 0 3 212.337 1.657 20 30 BDEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)C ZINC000135093527 353528146 /nfs/dbraw/zinc/52/81/46/353528146.db2.gz SBPDKZTXVYVKSI-LBPRGKRZSA-N 0 3 212.337 1.609 20 30 BDEDHN C#CCCCC(=O)NC1CCN(CC=C)CC1 ZINC000192070573 353534396 /nfs/dbraw/zinc/53/43/96/353534396.db2.gz FMVBCEWUBWOQTL-UHFFFAOYSA-N 0 3 234.343 1.557 20 30 BDEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](C)O ZINC000192973961 353576258 /nfs/dbraw/zinc/57/62/58/353576258.db2.gz YGTLHNCLLIMJLM-LBPRGKRZSA-N 0 3 230.311 1.927 20 30 BDEDHN C=CCC[C@H](O)CN[C@H](C)c1cnn(C)c1C ZINC000183457995 353551514 /nfs/dbraw/zinc/55/15/14/353551514.db2.gz VIBNOFBEUFGBGW-PWSUYJOCSA-N 0 3 237.347 1.706 20 30 BDEDHN C=CCCCN1CCc2c(ncn(CC)c2=O)C1 ZINC000286047586 353556158 /nfs/dbraw/zinc/55/61/58/353556158.db2.gz IRFXGLUUTMZJES-UHFFFAOYSA-N 0 3 247.342 1.588 20 30 BDEDHN C#CCOc1ccccc1CN[C@@H](C)CC(N)=O ZINC000135745583 353567633 /nfs/dbraw/zinc/56/76/33/353567633.db2.gz PZNDEHWMGVZWRM-NSHDSACASA-N 0 3 246.310 1.052 20 30 BDEDHN C#Cc1ccc(CNCCC(=O)NC(C)C)cc1 ZINC000289304663 353622508 /nfs/dbraw/zinc/62/25/08/353622508.db2.gz RHQGGDSYOIHKDT-UHFFFAOYSA-N 0 3 244.338 1.672 20 30 BDEDHN C=C[C@H](CO)N[C@@H](C)c1cc(OC)ccc1O ZINC000289647533 353624332 /nfs/dbraw/zinc/62/43/32/353624332.db2.gz GBKIUFXOWHXSCS-VHSXEESVSA-N 0 3 237.299 1.598 20 30 BDEDHN C=C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000289647533 353624335 /nfs/dbraw/zinc/62/43/35/353624335.db2.gz GBKIUFXOWHXSCS-VHSXEESVSA-N 0 3 237.299 1.598 20 30 BDEDHN C#Cc1ccc(CN(CCO)CCOC)cc1 ZINC000289388159 353627838 /nfs/dbraw/zinc/62/78/38/353627838.db2.gz QPAQUZGXDOIPOK-UHFFFAOYSA-N 0 3 233.311 1.109 20 30 BDEDHN C#CCOc1ccc(CN(C)[C@H](C)CO)cc1 ZINC000289552763 353631736 /nfs/dbraw/zinc/63/17/36/353631736.db2.gz XVCDAPHZJMNUQU-GFCCVEGCSA-N 0 3 233.311 1.511 20 30 BDEDHN C=C[C@H](CO)N[C@@H](C)Cc1ccccc1OC ZINC000289744932 353633224 /nfs/dbraw/zinc/63/32/24/353633224.db2.gz KTFLDIDZGJRRQV-WCQYABFASA-N 0 3 235.327 1.763 20 30 BDEDHN C#Cc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1 ZINC000289760600 353634850 /nfs/dbraw/zinc/63/48/50/353634850.db2.gz QIDZRYOENLZSFC-BXUZGUMPSA-N 0 3 242.322 1.282 20 30 BDEDHN C#Cc1ccc(CN[C@@H](CO)CCOC)cc1 ZINC000289765229 353635065 /nfs/dbraw/zinc/63/50/65/353635065.db2.gz QOVRVLQOWRDDED-CQSZACIVSA-N 0 3 233.311 1.155 20 30 BDEDHN C=C[C@@H](CO)N[C@H](COC)Cc1ccccc1 ZINC000289837862 353639461 /nfs/dbraw/zinc/63/94/61/353639461.db2.gz PSZKOYGRNVNYAB-KBPBESRZSA-N 0 3 235.327 1.381 20 30 BDEDHN C=C[C@H](CO)N[C@H](COC)Cc1ccccc1 ZINC000289837865 353639978 /nfs/dbraw/zinc/63/99/78/353639978.db2.gz PSZKOYGRNVNYAB-KGLIPLIRSA-N 0 3 235.327 1.381 20 30 BDEDHN C#Cc1ccc(CN[C@@H](C)CC[S@@](C)=O)cc1 ZINC000289976130 353644909 /nfs/dbraw/zinc/64/49/09/353644909.db2.gz CABLIKSEVDMVDC-YVEFUNNKSA-N 0 3 249.379 1.915 20 30 BDEDHN N#CCCCCN1CCO[C@]2(CCSC2)C1 ZINC000577865177 366089884 /nfs/dbraw/zinc/08/98/84/366089884.db2.gz KTSXYKVKXLAOPT-GFCCVEGCSA-N 0 3 240.372 1.888 20 30 BDEDHN C#Cc1ccc(CN2CC[C@@](C)(O)C2)cc1 ZINC000290048405 353647067 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0 3 240.694 1.192 20 30 BDEDHN CO[C@]1(C)CC(=NNC2=N[C@H](C)CN2)C1(C)C ZINC000779795709 585764463 /nfs/dbraw/zinc/76/44/63/585764463.db2.gz WZLPNJBRKIMRQF-PRHODGIISA-N 0 3 238.335 1.115 20 30 BDEDHN CCO[C@H]1CC(=NNC2=N[C@H](C)CN2)C1(C)C ZINC000779799909 585764693 /nfs/dbraw/zinc/76/46/93/585764693.db2.gz YMLCJHMPERBWOY-SCZZXKLOSA-N 0 3 238.335 1.115 20 30 BDEDHN C[C@H]1CC(=NN[C@H]2CCCOC2)CCN1C ZINC000780250934 585774884 /nfs/dbraw/zinc/77/48/84/585774884.db2.gz LYQHDWCUISAMPS-JQWIXIFHSA-N 0 3 225.336 1.225 20 30 BDEDHN C#CCCCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000780406579 585778967 /nfs/dbraw/zinc/77/89/67/585778967.db2.gz PWNTUIFNTXYYSP-CYBMUJFWSA-N 0 3 248.370 1.923 20 30 BDEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cn2)CCO1 ZINC000780555215 585781177 /nfs/dbraw/zinc/78/11/77/585781177.db2.gz PJCDFVXMLMPGKS-ZYHUDNBSSA-N 0 3 231.299 1.610 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000782504649 585819248 /nfs/dbraw/zinc/81/92/48/585819248.db2.gz RSCLJFVCRMXTLD-JHJVBQTASA-N 0 3 249.358 1.527 20 30 BDEDHN C[C@@H](C=Nn1cnnc1)Cc1ccccc1 ZINC000783773459 585842862 /nfs/dbraw/zinc/84/28/62/585842862.db2.gz YKRGBZWMLHGICK-LLVKDONJSA-N 0 3 214.272 1.991 20 30 BDEDHN CC(C)(C)[C@@H]1CCN(CC(=O)NCCC#N)C1 ZINC000784517750 585861999 /nfs/dbraw/zinc/86/19/99/585861999.db2.gz TZEJBLSAIDTKBK-LLVKDONJSA-N 0 3 237.347 1.384 20 30 BDEDHN Cn1cc[nH+]c1[N-]N=Cc1c[nH]c2ncccc12 ZINC000790302712 585963153 /nfs/dbraw/zinc/96/31/53/585963153.db2.gz XOWIEWBLXNTLIH-UHFFFAOYSA-N 0 3 240.270 1.742 20 30 BDEDHN COCCCNN=Cc1ccc(N(C)C)cc1 ZINC000794541510 586043073 /nfs/dbraw/zinc/04/30/73/586043073.db2.gz PIFDZPWJEVPDPZ-UHFFFAOYSA-N 0 3 235.331 1.713 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794624274 586046088 /nfs/dbraw/zinc/04/60/88/586046088.db2.gz OTRNFMYZEILIQF-OUAUKWLOSA-N 0 3 244.285 1.892 20 30 BDEDHN C#CCCCN1CCO[C@]2(CCCOC2)C1 ZINC000796078520 586097425 /nfs/dbraw/zinc/09/74/25/586097425.db2.gz CXVSNTTYAWOCIE-CYBMUJFWSA-N 0 3 223.316 1.281 20 30 BDEDHN C#CCCCN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000796556266 586106712 /nfs/dbraw/zinc/10/67/12/586106712.db2.gz OKJJPIKSCBMDHN-CHWSQXEVSA-N 0 3 223.316 1.280 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@H](C)CC ZINC000796797027 586113067 /nfs/dbraw/zinc/11/30/67/586113067.db2.gz GNKGXYCZTIUNCL-MNOVXSKESA-N 0 3 236.315 1.824 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H]1CC=CCC1 ZINC000798282785 586142162 /nfs/dbraw/zinc/14/21/62/586142162.db2.gz JLMLGRGUXIKTBH-GFCCVEGCSA-N 0 3 222.332 1.577 20 30 BDEDHN C=C(C)[C@@H](CO)N1CC[C@@H](c2ccccn2)C1 ZINC000799197798 586167591 /nfs/dbraw/zinc/16/75/91/586167591.db2.gz JTBDPWAJTJKLSF-TZMCWYRMSA-N 0 3 232.327 1.808 20 30 BDEDHN C=C(C)CN(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799317819 586170923 /nfs/dbraw/zinc/17/09/23/586170923.db2.gz WWLSYMYDRWAPMO-GFCCVEGCSA-N 0 3 224.279 1.762 20 30 BDEDHN CCO[C@@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638171 586173621 /nfs/dbraw/zinc/17/36/21/586173621.db2.gz QTQWTSGTWSNABL-UWVGGRQHSA-N 0 3 218.256 1.683 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800387857 586214916 /nfs/dbraw/zinc/21/49/16/586214916.db2.gz VVSRMXJKELIUQY-HTQZYQBOSA-N 0 3 244.241 1.267 20 30 BDEDHN C=CC[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000859446063 589037656 /nfs/dbraw/zinc/03/76/56/589037656.db2.gz UFRYRUHLAOPRAP-GXFFZTMASA-N 0 3 201.335 1.263 20 30 BDEDHN C=CC[C@H]1CCN(CC[S@](C)=O)C1 ZINC000859446062 589037822 /nfs/dbraw/zinc/03/78/22/589037822.db2.gz UFRYRUHLAOPRAP-GWCFXTLKSA-N 0 3 201.335 1.263 20 30 BDEDHN C#CCNC(=O)CN1CC(C)(C)CCC1(C)C ZINC000859472030 589039602 /nfs/dbraw/zinc/03/96/02/589039602.db2.gz LEGGHUIHEBTCJI-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN C[C@H](C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000801873616 586275634 /nfs/dbraw/zinc/27/56/34/586275634.db2.gz WGJDHBLCOHWZSZ-SECBINFHSA-N 0 3 222.288 1.316 20 30 BDEDHN CC#CCOC(=O)C1CCN(C2CC2)CC1 ZINC000801873881 586275655 /nfs/dbraw/zinc/27/56/55/586275655.db2.gz ZSSRJEPQAJUOPD-UHFFFAOYSA-N 0 3 221.300 1.427 20 30 BDEDHN C=CCN(CCOC)CCO[C@@H](C)C#N ZINC000801949020 586282780 /nfs/dbraw/zinc/28/27/80/586282780.db2.gz JJZWXKPLOWMPLM-NSHDSACASA-N 0 3 212.293 1.049 20 30 BDEDHN CN1CCCC[C@H]1CCC(=O)OCC#N ZINC000803854435 586377057 /nfs/dbraw/zinc/37/70/57/586377057.db2.gz QNKVSFOUUHACPX-JTQLQIEISA-N 0 3 210.277 1.318 20 30 BDEDHN CCc1ccc([C@H](O)CNC(=O)C(C)C#N)cc1 ZINC000804157523 586384547 /nfs/dbraw/zinc/38/45/47/586384547.db2.gz XUYXMVJBNPWBQP-GXFFZTMASA-N 0 3 246.310 1.558 20 30 BDEDHN CC#CC(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000804523940 586398034 /nfs/dbraw/zinc/39/80/34/586398034.db2.gz FPVFKMVYKRNILS-VXGBXAGGSA-N 0 3 220.316 1.095 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC(C)(C)C)OC ZINC000804580835 586400502 /nfs/dbraw/zinc/40/05/02/586400502.db2.gz HROFYRGDOZROHL-UHFFFAOYSA-N 0 3 228.336 1.540 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(C)cn1 ZINC000808411140 586471723 /nfs/dbraw/zinc/47/17/23/586471723.db2.gz SPZCNTRSMFXVRM-YPMHNXCESA-N 0 3 235.331 1.491 20 30 BDEDHN C#Cc1ccc(CN[C@@H](CCO)CSC)cc1 ZINC000809621338 586509251 /nfs/dbraw/zinc/50/92/51/586509251.db2.gz BLEDUSGSWUDIBT-AWEZNQCLSA-N 0 3 249.379 1.872 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(F)(F)[C@H](C)C1 ZINC000810046364 586532401 /nfs/dbraw/zinc/53/24/01/586532401.db2.gz QXZZHZNLYXPOIM-ZJUUUORDSA-N 0 3 232.274 1.892 20 30 BDEDHN C#CCN(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000812010027 586569385 /nfs/dbraw/zinc/56/93/85/586569385.db2.gz MATHAOXLQLUGFR-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C#C[C@@H](NCC1(COC)CCC1)[C@@H]1CCCO1 ZINC000812834620 586587935 /nfs/dbraw/zinc/58/79/35/586587935.db2.gz BWUMLJAZBSDKHO-OLZOCXBDSA-N 0 3 237.343 1.574 20 30 BDEDHN C=C(C)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110598 586593429 /nfs/dbraw/zinc/59/34/29/586593429.db2.gz FGKWBPXXPDPNHO-DTWKUNHWSA-N 0 3 215.249 1.797 20 30 BDEDHN CC#CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813111731 586593553 /nfs/dbraw/zinc/59/35/53/586593553.db2.gz WKQDUXGXZKGHBT-SECBINFHSA-N 0 3 213.233 1.388 20 30 BDEDHN CCCC(=NNC1=NC[C@H](C)N1)c1cccnc1 ZINC000814896932 586645020 /nfs/dbraw/zinc/64/50/20/586645020.db2.gz ASACFSVUVPHLSS-JTQLQIEISA-N 0 3 245.330 1.523 20 30 BDEDHN C#C[C@H](NCCC1(OC)CCC1)[C@H]1CCCO1 ZINC000815093549 586665845 /nfs/dbraw/zinc/66/58/45/586665845.db2.gz NPGQLEKEBILJJT-QWHCGFSZSA-N 0 3 237.343 1.716 20 30 BDEDHN C#C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000815093745 586665866 /nfs/dbraw/zinc/66/58/66/586665866.db2.gz RKRFPGNWRKKGSE-MQLXINIDSA-N 0 3 237.343 1.713 20 30 BDEDHN C=CCC(F)(F)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000815593906 586688744 /nfs/dbraw/zinc/68/87/44/586688744.db2.gz ASPWPNRIDLTAQV-JTQLQIEISA-N 0 3 248.317 1.900 20 30 BDEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000815618313 586689290 /nfs/dbraw/zinc/68/92/90/586689290.db2.gz IXKHUONJBMRMMD-SNVBAGLBSA-N 0 3 233.315 1.856 20 30 BDEDHN C=CCN(CCC#N)C(=O)C(=C)CN(C)C ZINC000816803271 586764941 /nfs/dbraw/zinc/76/49/41/586764941.db2.gz UZUMBPGTAMDJMD-UHFFFAOYSA-N 0 3 221.304 1.032 20 30 BDEDHN C#CCCOc1ccc(CN[C@@H]2CC[C@H]2O)cc1 ZINC000818230949 586880682 /nfs/dbraw/zinc/88/06/82/586880682.db2.gz KELMAYMQXBSQCK-HUUCEWRRSA-N 0 3 245.322 1.702 20 30 BDEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)C1CC1 ZINC000818599361 586904999 /nfs/dbraw/zinc/90/49/99/586904999.db2.gz MGUUMEPVFGWLPH-GFCCVEGCSA-N 0 3 236.359 1.494 20 30 BDEDHN N#CCCCNC[C@@H](O)c1c(F)cccc1F ZINC000819220593 586939964 /nfs/dbraw/zinc/93/99/64/586939964.db2.gz BUOOBDVBUREGQY-LLVKDONJSA-N 0 3 240.253 1.892 20 30 BDEDHN C=C(CNCCC(=O)N(C)OC)c1ccccc1 ZINC000819312120 586950207 /nfs/dbraw/zinc/95/02/07/586950207.db2.gz OSNOJEKCWUVHSB-UHFFFAOYSA-N 0 3 248.326 1.699 20 30 BDEDHN C#Cc1cccc(CNC[C@H](O)COCC)c1 ZINC000819357820 586956111 /nfs/dbraw/zinc/95/61/11/586956111.db2.gz WXBCWJLPAGSLED-AWEZNQCLSA-N 0 3 233.311 1.155 20 30 BDEDHN C#Cc1cccc(CNC[C@@H](O)COC(C)C)c1 ZINC000819356163 586956637 /nfs/dbraw/zinc/95/66/37/586956637.db2.gz BBRMGBQKALFQLK-OAHLLOKOSA-N 0 3 247.338 1.543 20 30 BDEDHN CC(C#N)C(=O)N(C)C[C@@](C)(O)c1ccccc1 ZINC000819709411 586988333 /nfs/dbraw/zinc/98/83/33/586988333.db2.gz RMJAQUAEHWVWSH-BXUZGUMPSA-N 0 3 246.310 1.512 20 30 BDEDHN C=C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819729750 586989468 /nfs/dbraw/zinc/98/94/68/586989468.db2.gz MCXZKKDNDGRWPG-SECBINFHSA-N 0 3 229.287 1.531 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000820394744 587045815 /nfs/dbraw/zinc/04/58/15/587045815.db2.gz OIKWEFZEKMYACB-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C#C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820399271 587046302 /nfs/dbraw/zinc/04/63/02/587046302.db2.gz CTBWHCUIPYFDGC-NWDGAFQWSA-N 0 3 249.358 1.134 20 30 BDEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1F)N(C)C ZINC000821520269 587124817 /nfs/dbraw/zinc/12/48/17/587124817.db2.gz JTHOJTKNMSFWEI-SECBINFHSA-N 0 3 249.289 1.377 20 30 BDEDHN C=C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000822506953 587172909 /nfs/dbraw/zinc/17/29/09/587172909.db2.gz SNICUUCWHZSUAB-GFCCVEGCSA-N 0 3 222.332 1.649 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000823044987 587199323 /nfs/dbraw/zinc/19/93/23/587199323.db2.gz OWGFQKBWHFOUEN-VXGBXAGGSA-N 0 3 237.347 1.134 20 30 BDEDHN CC(C#N)C(=O)NCc1ccnc(Cl)c1 ZINC000823639248 587233746 /nfs/dbraw/zinc/23/37/46/587233746.db2.gz MSTRFDOSKIWHNU-SSDOTTSWSA-N 0 3 223.663 1.511 20 30 BDEDHN C#CCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823845440 587242856 /nfs/dbraw/zinc/24/28/56/587242856.db2.gz SJARSISBURVMRT-UHFFFAOYSA-N 0 3 241.298 1.322 20 30 BDEDHN C#CCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823845440 587242858 /nfs/dbraw/zinc/24/28/58/587242858.db2.gz SJARSISBURVMRT-UHFFFAOYSA-N 0 3 241.298 1.322 20 30 BDEDHN C#C[C@H](N[C@@H]1CSC[C@H]1C)[C@@H]1CCCO1 ZINC000824195501 587259630 /nfs/dbraw/zinc/25/96/30/587259630.db2.gz GUCPJHYLGNXSRI-KXNHARMFSA-N 0 3 225.357 1.508 20 30 BDEDHN CC(C)C#CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000824777755 587286961 /nfs/dbraw/zinc/28/69/61/587286961.db2.gz ONXYLRMZRRLCFK-UHFFFAOYSA-N 0 3 248.330 1.043 20 30 BDEDHN C[C@H](CNC(=O)C#Cc1cccs1)N(C)C ZINC000824877863 587291597 /nfs/dbraw/zinc/29/15/97/587291597.db2.gz CRZGSHRTPFVIDC-SNVBAGLBSA-N 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1.537 20 30 BDEDHN C=CC1CCN(CC[S@](C)=O)CC1 ZINC000827794329 587402369 /nfs/dbraw/zinc/40/23/69/587402369.db2.gz LBPWYTKHOBZWMN-ZDUSSCGKSA-N 0 3 201.335 1.263 20 30 BDEDHN C#CCOc1ccc(CN(C)C2(CO)CC2)cc1 ZINC000827903991 587408948 /nfs/dbraw/zinc/40/89/48/587408948.db2.gz SDYXFCDLVCBBJT-UHFFFAOYSA-N 0 3 245.322 1.655 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1O ZINC000827936938 587411120 /nfs/dbraw/zinc/41/11/20/587411120.db2.gz HIBVQLDABOCLRL-DTWKUNHWSA-N 0 3 218.256 1.729 20 30 BDEDHN C=CCN(C)C[C@]1(O)CCc2ccccc21 ZINC000829309828 587492161 /nfs/dbraw/zinc/49/21/61/587492161.db2.gz KETCXPMWMKPRMT-CQSZACIVSA-N 0 3 217.312 1.938 20 30 BDEDHN CCC(O)(CC)C(C)(C)NC(=O)C(C)C#N ZINC000829336492 587493159 /nfs/dbraw/zinc/49/31/59/587493159.db2.gz DQNACJYZLBUGJO-VIFPVBQESA-N 0 3 226.320 1.592 20 30 BDEDHN CC(C)C#CC(=O)NCCN1CC[C@@H](C)C1 ZINC000829439782 587497184 /nfs/dbraw/zinc/49/71/84/587497184.db2.gz GXRVGGOJRCGXDQ-GFCCVEGCSA-N 0 3 222.332 1.104 20 30 BDEDHN CC(C)C#CC(=O)NCCN1CC[C@H](C)C1 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BDEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000997266532 643604861 /nfs/dbraw/zinc/60/48/61/643604861.db2.gz VYAAJPCJSMGBIP-SCRDCRAPSA-N 0 3 248.370 1.492 20 30 BDEDHN C=C(Cl)CNC1CC(N(C)C(C)=O)C1 ZINC000998319913 643696287 /nfs/dbraw/zinc/69/62/87/643696287.db2.gz DEVSKFURODPLRC-UHFFFAOYSA-N 0 3 216.712 1.338 20 30 BDEDHN C=CCN1CC=C(CNC(=O)C2CCC2)CC1 ZINC001000359314 643777124 /nfs/dbraw/zinc/77/71/24/643777124.db2.gz HAMNQIXDWIDABW-UHFFFAOYSA-N 0 3 234.343 1.721 20 30 BDEDHN N#Cc1cc(CN[C@@H]2CCOC2)cs1 ZINC000921930966 643829193 /nfs/dbraw/zinc/82/91/93/643829193.db2.gz WQMCXJQEBYMOEZ-SECBINFHSA-N 0 3 208.286 1.498 20 30 BDEDHN C=CC[C@@H](CO)NCc1nccc2c1CCCC2 ZINC000921993516 643838406 /nfs/dbraw/zinc/83/84/06/643838406.db2.gz IPCOWMQOWWBFSY-ZDUSSCGKSA-N 0 3 246.354 1.987 20 30 BDEDHN C=CCCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000922023639 643847191 /nfs/dbraw/zinc/84/71/91/643847191.db2.gz ABBORZSWDFVBDC-VXGBXAGGSA-N 0 3 239.363 1.735 20 30 BDEDHN C#CC[C@@H](CO)NCc1cnn(CC2CCC2)c1 ZINC000922140566 643871501 /nfs/dbraw/zinc/87/15/01/643871501.db2.gz KEOTWCIBBXAFPO-AWEZNQCLSA-N 0 3 247.342 1.157 20 30 BDEDHN C#Cc1ccc(CN[C@H](C)C(OC)OC)cc1 ZINC000922314009 643966304 /nfs/dbraw/zinc/96/63/04/643966304.db2.gz XOWFOARYSRJSQU-LLVKDONJSA-N 0 3 233.311 1.765 20 30 BDEDHN CCCSCC(=O)C(C#N)C(=O)NC(C)C ZINC000125602058 644125997 /nfs/dbraw/zinc/12/59/97/644125997.db2.gz JALZIUZRJAPTNO-SECBINFHSA-N 0 3 242.344 1.363 20 30 BDEDHN C[C@H]1CN=C(NN=C2CCc3ccccc32)N1 ZINC000779804312 644717557 /nfs/dbraw/zinc/71/75/57/644717557.db2.gz CSKMDWAKBRPULP-VIFPVBQESA-N 0 3 228.299 1.274 20 30 BDEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000958233554 644784080 /nfs/dbraw/zinc/78/40/80/644784080.db2.gz DUBKRHGFCHJHEL-GDNZZTSVSA-N 0 3 232.283 1.126 20 30 BDEDHN C#CCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000303491643 644829044 /nfs/dbraw/zinc/82/90/44/644829044.db2.gz YLPOMTIVHQDOLI-UHFFFAOYSA-N 0 3 235.249 1.789 20 30 BDEDHN CSc1ccc(C=NNC(=N)N)cc1 ZINC000252447607 644851093 /nfs/dbraw/zinc/85/10/93/644851093.db2.gz MVDDNQROVXQGEG-UHFFFAOYSA-N 0 3 208.290 1.225 20 30 BDEDHN CC(C)(C)c1ccc(C=NNC(=N)N)cc1 ZINC000252447965 644852280 /nfs/dbraw/zinc/85/22/80/644852280.db2.gz QSVVEAXWJNNLQP-UHFFFAOYSA-N 0 3 218.304 1.801 20 30 BDEDHN N=C(N)NN=Cc1ccc(Cl)c(F)c1 ZINC000252666758 644873675 /nfs/dbraw/zinc/87/36/75/644873675.db2.gz BTQQFTMAKZGAFZ-UHFFFAOYSA-N 0 3 214.631 1.296 20 30 BDEDHN N#CCCCC(=O)OCCN1CCCCC1 ZINC000812615898 644927051 /nfs/dbraw/zinc/92/70/51/644927051.db2.gz PDIUNKYQOPKAFG-UHFFFAOYSA-N 0 3 224.304 1.709 20 30 BDEDHN CC1(O)CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000819133376 645006594 /nfs/dbraw/zinc/00/65/94/645006594.db2.gz PKEKOLAKRHIARU-HIFPTAJRSA-N 0 3 235.331 1.713 20 30 BDEDHN C=C[C@@H](C)ONC(=O)N1CCCN(CC)CC1 ZINC000845627187 645375585 /nfs/dbraw/zinc/37/55/85/645375585.db2.gz BSZZLRBQMRHLEZ-LLVKDONJSA-N 0 3 241.335 1.230 20 30 BDEDHN CON(C)C(=O)[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926772205 645418637 /nfs/dbraw/zinc/41/86/37/645418637.db2.gz MWKHDJVMYHRGJD-UWVGGRQHSA-N 0 3 241.335 1.313 20 30 BDEDHN C#CC1CCN(CCOC(F)F)CC1 ZINC000852204227 645472240 /nfs/dbraw/zinc/47/22/40/645472240.db2.gz BHULDEBIHYBJSZ-UHFFFAOYSA-N 0 3 203.232 1.571 20 30 BDEDHN C#CCN(C[C@@H](OCC)C1CC1)C1CC1 ZINC000859252915 645680388 /nfs/dbraw/zinc/68/03/88/645680388.db2.gz TVLKYQFEBFMMSO-CYBMUJFWSA-N 0 3 207.317 1.899 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2cnnn2CC)C1 ZINC000862447226 645695941 /nfs/dbraw/zinc/69/59/41/645695941.db2.gz JVWJMDFGEIFYHO-LLVKDONJSA-N 0 3 218.304 1.143 20 30 BDEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CO ZINC000930273788 645719550 /nfs/dbraw/zinc/71/95/50/645719550.db2.gz RNQDKILYILRYMO-CQSZACIVSA-N 0 3 235.327 1.418 20 30 BDEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)[C@@H](C)CN1 ZINC000876796351 645786833 /nfs/dbraw/zinc/78/68/33/645786833.db2.gz KIQQQAPWLXQKAZ-QWRGUYRKSA-N 0 3 222.332 1.245 20 30 BDEDHN C#CC[C@@H](CO)NCc1cnc(C(C)C)s1 ZINC000883123759 645848705 /nfs/dbraw/zinc/84/87/05/645848705.db2.gz 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JYAIHAOYCOCWSH-ZYHUDNBSSA-N 0 3 234.299 1.620 20 30 BDEDHN C#C[C@H](N[C@@H]1COC[C@H]1CC)[C@@H]1CCCO1 ZINC000926208810 646591132 /nfs/dbraw/zinc/59/11/32/646591132.db2.gz AKYZZYLAZQIEOQ-XQHKEYJVSA-N 0 3 223.316 1.182 20 30 BDEDHN CON1CCC(NCc2ccc(C#N)cn2)CC1 ZINC000926228994 646600187 /nfs/dbraw/zinc/60/01/87/646600187.db2.gz SBOJHVOCABESOY-UHFFFAOYSA-N 0 3 246.314 1.069 20 30 BDEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)NCCF ZINC000926365523 646626748 /nfs/dbraw/zinc/62/67/48/646626748.db2.gz VWNXKTWCPGIFGF-NXEZZACHSA-N 0 3 243.326 1.379 20 30 BDEDHN C=CCN1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC001002759564 711951817 /nfs/dbraw/zinc/95/18/17/711951817.db2.gz KOAXZXXWNWQNIR-SNVBAGLBSA-N 0 3 244.285 1.408 20 30 BDEDHN Cc1cc(C#N)ccc1NC[C@@H]1CCN1C ZINC000712578234 712432800 /nfs/dbraw/zinc/43/28/00/712432800.db2.gz IVJIFPLFBBIWSF-LBPRGKRZSA-N 0 3 215.300 1.983 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NCCCCC1CC1 ZINC000716410258 712559196 /nfs/dbraw/zinc/55/91/96/712559196.db2.gz RFJDESLXCUDYKR-LBPRGKRZSA-N 0 3 237.347 1.704 20 30 BDEDHN C#CC[C@H](COC)NCc1ccc(F)cc1 ZINC000716930035 712596515 /nfs/dbraw/zinc/59/65/15/712596515.db2.gz WXVCTQQHRNBRGB-CYBMUJFWSA-N 0 3 221.275 1.954 20 30 BDEDHN C#CC[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000886355163 712654740 /nfs/dbraw/zinc/65/47/40/712654740.db2.gz DGUPBYHAIXOJAJ-LLVKDONJSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CC[C@H](CO)NCc1ccc(C#N)cc1 ZINC000717801988 712679536 /nfs/dbraw/zinc/67/95/36/712679536.db2.gz NHTQMGYTZWUCPM-CYBMUJFWSA-N 0 3 214.268 1.032 20 30 BDEDHN CC#CC[C@@H](CO)NCc1cnc(C)s1 ZINC000717805827 712680342 /nfs/dbraw/zinc/68/03/42/712680342.db2.gz RYOGXMVHGXPUDF-JTQLQIEISA-N 0 3 224.329 1.315 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(Cl)cc1 ZINC000717795415 712678285 /nfs/dbraw/zinc/67/82/85/712678285.db2.gz TWEBANMPSULMIU-LBPRGKRZSA-N 0 3 223.703 1.814 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(F)c(C)c1 ZINC000717813956 712681080 /nfs/dbraw/zinc/68/10/80/712681080.db2.gz PCIWYVUWYRXWMN-LBPRGKRZSA-N 0 3 221.275 1.608 20 30 BDEDHN CC[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720818290 712868196 /nfs/dbraw/zinc/86/81/96/712868196.db2.gz URWOYMIRCVWMHX-UTUOFQBUSA-N 0 3 235.331 1.231 20 30 BDEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCCC1 ZINC001038000417 712897547 /nfs/dbraw/zinc/89/75/47/712897547.db2.gz AORDWHNMQMNSDN-ZDUSSCGKSA-N 0 3 236.359 1.943 20 30 BDEDHN C#CCN[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001018684341 710667652 /nfs/dbraw/zinc/66/76/52/710667652.db2.gz QONGNABHEUNYMH-ZDUSSCGKSA-N 0 3 234.343 1.390 20 30 BDEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001041875810 710771713 /nfs/dbraw/zinc/77/17/13/710771713.db2.gz IGOGZHIBGQILQE-WCQYABFASA-N 0 3 234.343 1.505 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)NC(C)(C)C ZINC000384177862 710805746 /nfs/dbraw/zinc/80/57/46/710805746.db2.gz OWSJMWRTLGKTSX-LBPRGKRZSA-N 0 3 210.321 1.293 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)NCCCC ZINC000384187823 710811944 /nfs/dbraw/zinc/81/19/44/710811944.db2.gz TZZATVVBOVBKMY-LBPRGKRZSA-N 0 3 210.321 1.294 20 30 BDEDHN 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C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284781 710898809 /nfs/dbraw/zinc/89/88/09/710898809.db2.gz JAGMFOUDFAVGJV-UONOGXRCSA-N 0 3 246.354 1.485 20 30 BDEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC)C2 ZINC001054065726 710922769 /nfs/dbraw/zinc/92/27/69/710922769.db2.gz SKSZQZCZMKINMF-AWEZNQCLSA-N 0 3 234.343 1.344 20 30 BDEDHN C#CCN1CCC[C@@H](NC(=O)c2ccco2)CC1 ZINC001052159276 710962821 /nfs/dbraw/zinc/96/28/21/710962821.db2.gz VHGYSDCIFREYEL-GFCCVEGCSA-N 0 3 246.310 1.497 20 30 BDEDHN C#C[C@H](N[C@H](CC)COC)[C@@H]1CCCO1 ZINC000389982560 711102487 /nfs/dbraw/zinc/10/24/87/711102487.db2.gz JZXLDJUONNOHJG-WOPDTQHZSA-N 0 3 211.305 1.182 20 30 BDEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CC1 ZINC000395161231 711203905 /nfs/dbraw/zinc/20/39/05/711203905.db2.gz TZDGJUUVSRZDFU-SKDRFNHKSA-N 0 3 208.305 1.045 20 30 BDEDHN C#C[C@@H](NCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000381112071 710602213 /nfs/dbraw/zinc/60/22/13/710602213.db2.gz GFJIALPECBXXGW-NEPJUHHUSA-N 0 3 220.316 1.697 20 30 BDEDHN 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/nfs/dbraw/zinc/34/34/75/398343475.db2.gz TWNVMWMKUMATDY-IJLUTSLNSA-N 0 3 236.315 1.564 20 30 BDEDHN CCN1CCN(C[C@@H](C)CCC#N)[C@@H](C)C1 ZINC000602662512 349681849 /nfs/dbraw/zinc/68/18/49/349681849.db2.gz OQFOAXAKJNUDFK-STQMWFEESA-N 0 3 223.364 1.952 20 30 BDEDHN CC[C@@](C)(NCc1ccc(C#N)c(C)c1)C(N)=O ZINC000488113425 529506913 /nfs/dbraw/zinc/50/69/13/529506913.db2.gz JOWUWDKITDDWPT-CQSZACIVSA-N 0 3 245.326 1.610 20 30 BDEDHN C[C@@H](NC(=O)Cc1ccon1)C1=CCN(C)CC1 ZINC000329712245 136253452 /nfs/dbraw/zinc/25/34/52/136253452.db2.gz PUJWOINZPLMJPW-SNVBAGLBSA-N 0 3 249.314 1.824 20 30 BDEDHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCC1(C#N)CCC1 ZINC000602697051 349693301 /nfs/dbraw/zinc/69/33/01/349693301.db2.gz SYGQGKXDTANGAR-RYUDHWBXSA-N 0 3 249.358 1.717 20 30 BDEDHN CCC[C@@H](CN1CC[C@](O)(CC#N)C1)OC ZINC000602698699 349694235 /nfs/dbraw/zinc/69/42/35/349694235.db2.gz URJWYRGYYRUHKD-NWDGAFQWSA-N 0 3 226.320 1.152 20 30 BDEDHN CCC(O)(CC)CN(C)Cc1cccc(C#N)n1 ZINC000602729393 344019373 /nfs/dbraw/zinc/01/93/73/344019373.db2.gz JSSBLHGBVMICGQ-UHFFFAOYSA-N 0 3 247.342 1.936 20 30 BDEDHN C[C@H]1C[C@@H](NC2CCC(C#N)CC2)c2ncnn21 ZINC000602707692 349700770 /nfs/dbraw/zinc/70/07/70/349700770.db2.gz OTRITVRPRVUTCL-WNYYMSAVSA-N 0 3 245.330 1.956 20 30 BDEDHN C[C@H](CC1(C#N)CCOCC1)NC/C=C\CO ZINC000602707548 349700890 /nfs/dbraw/zinc/70/08/90/349700890.db2.gz BVPDIGPHVFGLTK-ZZKXABKFSA-N 0 3 238.331 1.223 20 30 BDEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC1(C#N)CC1 ZINC000590272409 346909733 /nfs/dbraw/zinc/90/97/33/346909733.db2.gz NDQLIBFSXFUNSO-RYUDHWBXSA-N 0 3 249.358 1.479 20 30 BDEDHN C[C@H]1C[C@H](N(C)C(=O)CC2(C#N)CC2)CCN1C ZINC000590272739 346909293 /nfs/dbraw/zinc/90/92/93/346909293.db2.gz MSGBVFJLLAJGRQ-NWDGAFQWSA-N 0 3 249.358 1.621 20 30 BDEDHN C[C@@H]1C[C@H](N(C)C(=O)CC2(C#N)CC2)CCN1C ZINC000590272745 346909446 /nfs/dbraw/zinc/90/94/46/346909446.db2.gz MSGBVFJLLAJGRQ-VXGBXAGGSA-N 0 3 249.358 1.621 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403478312 323030895 /nfs/dbraw/zinc/03/08/95/323030895.db2.gz QWDUGTGDCVDOJG-CHWFTXMASA-N 0 3 206.289 1.698 20 30 BDEDHN CC#CCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352687465 136264377 /nfs/dbraw/zinc/26/43/77/136264377.db2.gz XRXGDZNVAULSQV-GHMZBOCLSA-N 0 3 249.276 1.893 20 30 BDEDHN C#CCN(CCC(=O)Nc1cc(C)on1)C1CC1 ZINC000274145115 187336912 /nfs/dbraw/zinc/33/69/12/187336912.db2.gz KEQTUXOJAMOTCH-UHFFFAOYSA-N 0 3 247.298 1.409 20 30 BDEDHN C=CCNC(=O)CN1CCCC[C@@H]1CCC ZINC000185853062 343047826 /nfs/dbraw/zinc/04/78/26/343047826.db2.gz USLJRCFYTDKKNL-LBPRGKRZSA-N 0 3 224.348 1.943 20 30 BDEDHN CC(C#N)C(=O)NC1(c2ccccc2)CC1 ZINC000336465185 136264077 /nfs/dbraw/zinc/26/40/77/136264077.db2.gz UBZZZOAIBDXCMA-SNVBAGLBSA-N 0 3 214.268 1.952 20 30 BDEDHN Cc1nc([C@](C)(NC(=O)C(C)C#N)C2CC2)no1 ZINC000353431860 136265384 /nfs/dbraw/zinc/26/53/84/136265384.db2.gz BMLMLFWBJGYTCH-JMCQJSRRSA-N 0 3 248.286 1.279 20 30 BDEDHN C=CCCCCCNC(=O)[C@H](N)CC(F)F ZINC000576836320 365701042 /nfs/dbraw/zinc/70/10/42/365701042.db2.gz ALHSBBSJORQNCG-SECBINFHSA-N 0 3 234.290 1.832 20 30 BDEDHN C=C(C)Cn1cc([C@H](N)C2CCOCC2)nn1 ZINC000640804407 362052877 /nfs/dbraw/zinc/05/28/77/362052877.db2.gz XSZYYZJZTLVGKG-GFCCVEGCSA-N 0 3 236.319 1.281 20 30 BDEDHN CCO[C@H]1C[C@@H]1NCc1ccc(C#N)cc1 ZINC000309955571 343108992 /nfs/dbraw/zinc/10/89/92/343108992.db2.gz IDHYNBWICBEMSL-STQMWFEESA-N 0 3 216.284 1.825 20 30 BDEDHN C#CCN(CC)C[C@@H](O)COCc1ccccc1 ZINC000265167016 187235062 /nfs/dbraw/zinc/23/50/62/187235062.db2.gz SXHGSEWHZHITJW-OAHLLOKOSA-N 0 3 247.338 1.519 20 30 BDEDHN C=CCCC(=O)NCCN1CCCCC1 ZINC000264004368 187235075 /nfs/dbraw/zinc/23/50/75/187235075.db2.gz SDAWPEDHDZYYAM-UHFFFAOYSA-N 0 3 210.321 1.555 20 30 BDEDHN C[C@H]1CCN(CCNC(=O)CC2(C#N)CC2)C1 ZINC000590287264 346928178 /nfs/dbraw/zinc/92/81/78/346928178.db2.gz TYGPWGGAASHYFS-NSHDSACASA-N 0 3 235.331 1.138 20 30 BDEDHN C#CCCN[C@@H](CCO)c1ccccc1 ZINC000271798628 187236800 /nfs/dbraw/zinc/23/68/00/187236800.db2.gz RRESFUPIORKFKK-ZDUSSCGKSA-N 0 3 203.285 1.723 20 30 BDEDHN CSCCN(C)CCOCCC#N ZINC000339025816 136271088 /nfs/dbraw/zinc/27/10/88/136271088.db2.gz SIYAQDMNUOEUEF-UHFFFAOYSA-N 0 3 202.323 1.211 20 30 BDEDHN N#Cc1cc(NCCN2CC=CCC2)ccn1 ZINC000287794635 187241072 /nfs/dbraw/zinc/24/10/72/187241072.db2.gz OZFIWYZWSIVQMO-UHFFFAOYSA-N 0 3 228.299 1.627 20 30 BDEDHN C=CC[C@H](CO)NCc1ccnn1C(C)C ZINC000279917491 187241194 /nfs/dbraw/zinc/24/11/94/187241194.db2.gz MLURMZVOKIECPK-LLVKDONJSA-N 0 3 223.320 1.491 20 30 BDEDHN C#Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000279003175 187241427 /nfs/dbraw/zinc/24/14/27/187241427.db2.gz RLFOLNMZXUBFQB-UHFFFAOYSA-N 0 3 215.296 1.625 20 30 BDEDHN C=CCN(C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000625282957 343218588 /nfs/dbraw/zinc/21/85/88/343218588.db2.gz NXEVSMMWDQLJEF-LBPRGKRZSA-N 0 3 225.332 1.303 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc(C)cn1 ZINC000309200333 133467870 /nfs/dbraw/zinc/46/78/70/133467870.db2.gz RFURYOPCFCQNHU-GFCCVEGCSA-N 0 3 206.289 1.417 20 30 BDEDHN COC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000354984274 136277717 /nfs/dbraw/zinc/27/77/17/136277717.db2.gz MZTVNWGTFFRLAN-PWSUYJOCSA-N 0 3 232.283 1.650 20 30 BDEDHN C[C@H]1[C@@H](Nc2ncccc2C#N)CCCN1C ZINC000343425586 343243514 /nfs/dbraw/zinc/24/35/14/343243514.db2.gz FAOVINHLOHWHSR-JQWIXIFHSA-N 0 3 230.315 1.848 20 30 BDEDHN C=CCOCCN1CC[C@H](C)[C@H](OC)C1 ZINC000339112688 136280455 /nfs/dbraw/zinc/28/04/55/136280455.db2.gz QORWQVOWZAJLEU-NWDGAFQWSA-N 0 3 213.321 1.546 20 30 BDEDHN COC(=O)C[C@H]1CCCCN1CCCC#N ZINC000048400731 343260633 /nfs/dbraw/zinc/26/06/33/343260633.db2.gz LTJQAMUICMHYKY-LLVKDONJSA-N 0 3 224.304 1.708 20 30 BDEDHN C=CCN(C)C[C@H](O)COc1ccc(C)cc1 ZINC000121470648 343267049 /nfs/dbraw/zinc/26/70/49/343267049.db2.gz TVEANVCECDTHDQ-ZDUSSCGKSA-N 0 3 235.327 1.853 20 30 BDEDHN CCN1[C@H](C)CN(CCOCCC#N)C[C@@H]1C ZINC000602873746 349806206 /nfs/dbraw/zinc/80/62/06/349806206.db2.gz KKKMIJPIEBMION-BETUJISGSA-N 0 3 239.363 1.331 20 30 BDEDHN CC(C#N)C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000335669272 136312579 /nfs/dbraw/zinc/31/25/79/136312579.db2.gz DPWXLPQKGNNDFN-JQWIXIFHSA-N 0 3 236.315 1.421 20 30 BDEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000335699212 136328448 /nfs/dbraw/zinc/32/84/48/136328448.db2.gz AKFPBZYYEFHONE-NEPJUHHUSA-N 0 3 239.363 1.687 20 30 BDEDHN C=CC[C@@H](C)[C@H](C)NCc1nnnn1CC1CC1 ZINC000349359002 136343070 /nfs/dbraw/zinc/34/30/70/136343070.db2.gz YDYIQNPATDDPGQ-MNOVXSKESA-N 0 3 249.362 1.773 20 30 BDEDHN C=CCCC(=O)NC[C@@H]1CCCN1CC ZINC000102466728 136331849 /nfs/dbraw/zinc/33/18/49/136331849.db2.gz CBJJJCPOABHGOR-NSHDSACASA-N 0 3 210.321 1.553 20 30 BDEDHN C[C@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@H]1C ZINC000335897017 136359147 /nfs/dbraw/zinc/35/91/47/136359147.db2.gz AFGOVDJJVUVUHY-PHIMTYICSA-N 0 3 235.331 1.137 20 30 BDEDHN CC[C@H](C(=O)NCCCCC#N)N(C)C ZINC000178078089 346945728 /nfs/dbraw/zinc/94/57/28/346945728.db2.gz WFLNJTOSTGPLAG-SNVBAGLBSA-N 0 3 211.309 1.137 20 30 BDEDHN C[C@H](N[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000070966239 343575914 /nfs/dbraw/zinc/57/59/14/343575914.db2.gz SMLUQDNOBWNKSB-GWCFXTLKSA-N 0 3 216.284 1.998 20 30 BDEDHN CO[C@H]1CN(CC2(CC#N)CC2)[C@@](C)(CO)C1 ZINC000602961553 349826532 /nfs/dbraw/zinc/82/65/32/349826532.db2.gz BROUJLLSNTVZGS-VXGBXAGGSA-N 0 3 238.331 1.152 20 30 BDEDHN CO[C@H]1CCN(CCOCCC#N)[C@H](C)C1 ZINC000339161749 343694760 /nfs/dbraw/zinc/69/47/60/343694760.db2.gz VOCLQMORRRIKHI-NEPJUHHUSA-N 0 3 226.320 1.416 20 30 BDEDHN CC(C#N)C(=O)N[C@]1(CO)CCCC(C)(C)C1 ZINC000600362882 343726931 /nfs/dbraw/zinc/72/69/31/343726931.db2.gz MZIYCWWHXKMHOI-ZWNOBZJWSA-N 0 3 238.331 1.594 20 30 BDEDHN CNC(=O)CCN(C)Cc1ccc(C#N)c(C)c1 ZINC000487912306 529857058 /nfs/dbraw/zinc/85/70/58/529857058.db2.gz IYBFLJYHIXZMNS-UHFFFAOYSA-N 0 3 245.326 1.435 20 30 BDEDHN C=CCNC[C@@H](O)COc1ccc(C)cc1 ZINC000032013898 187274509 /nfs/dbraw/zinc/27/45/09/187274509.db2.gz KKOLMCALMSHEBG-GFCCVEGCSA-N 0 3 221.300 1.510 20 30 BDEDHN C=CC[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000625700035 344039719 /nfs/dbraw/zinc/03/97/19/344039719.db2.gz HDVWYWOFKQRPBB-LLVKDONJSA-N 0 3 222.332 1.505 20 30 BDEDHN C=CC[C@@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000625701277 344041416 /nfs/dbraw/zinc/04/14/16/344041416.db2.gz PPXBVAWFLYHITO-GFCCVEGCSA-N 0 3 236.359 1.753 20 30 BDEDHN C=CC[C@H]1CCN(Cc2n[nH]c(CC)n2)C1 ZINC000625703318 344048052 /nfs/dbraw/zinc/04/80/52/344048052.db2.gz SEQHQCHJBKHVRT-JTQLQIEISA-N 0 3 220.320 1.765 20 30 BDEDHN C[C@H](O)CCNCc1ccc(C#N)cc1F ZINC000083007236 133514399 /nfs/dbraw/zinc/51/43/99/133514399.db2.gz KKZKTHCYGJKKNQ-VIFPVBQESA-N 0 3 222.263 1.558 20 30 BDEDHN C=CC[C@@H](CO)NCc1cncc(OC)c1C ZINC000631112564 344170497 /nfs/dbraw/zinc/17/04/97/344170497.db2.gz WCUZOAPXIXOTMG-LBPRGKRZSA-N 0 3 236.315 1.425 20 30 BDEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccn2)CCN1C ZINC000157952511 344132407 /nfs/dbraw/zinc/13/24/07/344132407.db2.gz FJNNUIVTWNKREK-PWSUYJOCSA-N 0 3 230.315 1.848 20 30 BDEDHN C=C(CC)CN1CCC[C@H](C(=O)OC)C1 ZINC000131082379 344227913 /nfs/dbraw/zinc/22/79/13/344227913.db2.gz IVUCRSCGVNXVDY-NSHDSACASA-N 0 3 211.305 1.838 20 30 BDEDHN C#CCCCCC(=O)NCCCN(C)CC#C ZINC000293941412 344277757 /nfs/dbraw/zinc/27/77/57/344277757.db2.gz JCOFWSNZZYAEAW-UHFFFAOYSA-N 0 3 234.343 1.251 20 30 BDEDHN CN(CCC#N)C(=O)CN1CCC(C)(C)C1 ZINC000091439730 344281241 /nfs/dbraw/zinc/28/12/41/344281241.db2.gz NZEXBEPLLXWPHG-UHFFFAOYSA-N 0 3 223.320 1.090 20 30 BDEDHN N#CC1(C[C@@H](O)CNCc2ccccc2F)CC1 ZINC000600714391 344362284 /nfs/dbraw/zinc/36/22/84/344362284.db2.gz LTORPKFONVVVIL-GFCCVEGCSA-N 0 3 248.301 1.970 20 30 BDEDHN Cc1noc(C)c1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600721833 344363011 /nfs/dbraw/zinc/36/30/11/344363011.db2.gz NLVVAXVQJREQAX-NSHDSACASA-N 0 3 249.314 1.436 20 30 BDEDHN N#Cc1ccc(CN[C@H]2CCOC2)s1 ZINC000135512933 344502581 /nfs/dbraw/zinc/50/25/81/344502581.db2.gz BCRUXHLTXCCKPG-QMMMGPOBSA-N 0 3 208.286 1.498 20 30 BDEDHN C[C@H](CO)N(C)CCOc1cccc(C#N)c1 ZINC000135511498 344502166 /nfs/dbraw/zinc/50/21/66/344502166.db2.gz 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MSJLZLODSKLUNF-UHFFFAOYSA-N 0 3 248.326 1.477 20 30 BDEDHN CC#CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC000341097499 135233951 /nfs/dbraw/zinc/23/39/51/135233951.db2.gz XGNPRSZHUZTZFD-LBPRGKRZSA-N 0 3 222.332 1.343 20 30 BDEDHN CC#CCN(C)C(=O)CC1CCN(C)CC1 ZINC000341078062 135233988 /nfs/dbraw/zinc/23/39/88/135233988.db2.gz HJDWQGYPZWOKBP-UHFFFAOYSA-N 0 3 222.332 1.200 20 30 BDEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(CC)c1 ZINC000341887583 135243925 /nfs/dbraw/zinc/24/39/25/135243925.db2.gz ZHYMHNLKKOBFJA-NEPJUHHUSA-N 0 3 237.347 1.738 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(OC)CC1 ZINC000342137022 135249384 /nfs/dbraw/zinc/24/93/84/135249384.db2.gz NBLWCAVGCXIGKX-LLVKDONJSA-N 0 3 240.347 1.178 20 30 BDEDHN CCCCN(CCCO)C(=O)C(C)C#N ZINC000342353263 135261357 /nfs/dbraw/zinc/26/13/57/135261357.db2.gz RGMFXOIFPSTPBH-JTQLQIEISA-N 0 3 212.293 1.157 20 30 BDEDHN C=CCNC(=O)CN1C[C@H](C)C[C@@H]1CC ZINC000342337114 135265261 /nfs/dbraw/zinc/26/52/61/135265261.db2.gz KEIPLFOWJDWILP-MNOVXSKESA-N 0 3 210.321 1.409 20 30 BDEDHN C=CCCOCCNCc1c(C)cnn1C ZINC000286768038 135373009 /nfs/dbraw/zinc/37/30/09/135373009.db2.gz ZQFDXTVNIGIYHC-UHFFFAOYSA-N 0 3 223.320 1.411 20 30 BDEDHN C#CCN[C@H](C)[C@H]1OCCc2sccc21 ZINC000292512919 135375853 /nfs/dbraw/zinc/37/58/53/135375853.db2.gz VQQXCRIEIYOHTR-BXKDBHETSA-N 0 3 221.325 1.973 20 30 BDEDHN C=CC[C@@H](C)NCc1ccnc(OC)n1 ZINC000295179020 135379164 /nfs/dbraw/zinc/37/91/64/135379164.db2.gz MKOOMEHOYYQRTN-SECBINFHSA-N 0 3 207.277 1.539 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](COCC)C1 ZINC000081522064 135387062 /nfs/dbraw/zinc/38/70/62/135387062.db2.gz ADERZKMGCIXSJB-RYUDHWBXSA-N 0 3 240.347 1.036 20 30 BDEDHN C=C[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000291438616 135648446 /nfs/dbraw/zinc/64/84/46/135648446.db2.gz BRAWKZBQJPQYMJ-LLVKDONJSA-N 0 3 207.273 1.337 20 30 BDEDHN C=C[C@H](CO)NCc1cccc(C)c1O ZINC000291438616 135648448 /nfs/dbraw/zinc/64/84/48/135648448.db2.gz BRAWKZBQJPQYMJ-LLVKDONJSA-N 0 3 207.273 1.337 20 30 BDEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N ZINC000195135926 135659378 /nfs/dbraw/zinc/65/93/78/135659378.db2.gz XIOXDRFSLGTHHZ-VIFPVBQESA-N 0 3 224.329 1.610 20 30 BDEDHN C=CCCCN1CCN(CCOCC)CC1 ZINC000344575995 135782780 /nfs/dbraw/zinc/78/27/80/135782780.db2.gz DJHHWHGCTPVPCX-UHFFFAOYSA-N 0 3 226.364 1.607 20 30 BDEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000347917495 136018380 /nfs/dbraw/zinc/01/83/80/136018380.db2.gz BODVUCHWRABSCF-IUCAKERBSA-N 0 3 220.276 1.099 20 30 BDEDHN C=CCOCCCN1CCCC[C@@]1(C)C(N)=O ZINC000348064352 136025213 /nfs/dbraw/zinc/02/52/13/136025213.db2.gz XNPIFHAQQDPKIL-ZDUSSCGKSA-N 0 3 240.347 1.309 20 30 BDEDHN C=CCOCCCN1CCCC[C@H]1C(=O)NC ZINC000348033512 136027916 /nfs/dbraw/zinc/02/79/16/136027916.db2.gz MQNBSCGVDKSKPZ-LBPRGKRZSA-N 0 3 240.347 1.180 20 30 BDEDHN C=CCOCCCN1CCN2CCCC[C@@H]2C1 ZINC000348038052 136028445 /nfs/dbraw/zinc/02/84/45/136028445.db2.gz SCKQHIRMDZLQQR-CQSZACIVSA-N 0 3 238.375 1.749 20 30 BDEDHN C[C@H](CN(C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000348057509 136032208 /nfs/dbraw/zinc/03/22/08/136032208.db2.gz CVNVAJSIWLTJJE-SNVBAGLBSA-N 0 3 246.314 1.630 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1CCO ZINC000348161338 136041933 /nfs/dbraw/zinc/04/19/33/136041933.db2.gz RCWJAHWTBQKFGV-FRRDWIJNSA-N 0 3 235.331 1.571 20 30 BDEDHN CC(C#N)C(=O)N1CCOC(C)(C)[C@H]1C ZINC000335345450 136065825 /nfs/dbraw/zinc/06/58/25/136065825.db2.gz XUXBGQKURQVTJR-RKDXNWHRSA-N 0 3 210.277 1.172 20 30 BDEDHN CN(CC(C)(C)CCC#N)[C@H]1COC[C@H]1O ZINC000348650506 136115340 /nfs/dbraw/zinc/11/53/40/136115340.db2.gz SYJDFNCRUBIYKI-WDEREUQCSA-N 0 3 226.320 1.008 20 30 BDEDHN Cn1cc(CN(CCO)CC2CC2)cc1C#N ZINC000348701870 136116333 /nfs/dbraw/zinc/11/63/33/136116333.db2.gz CYVFXTGLJRWQMQ-UHFFFAOYSA-N 0 3 233.315 1.101 20 30 BDEDHN C#CCNC(=O)CCN1CC[C@H]1c1ccccc1 ZINC000491118997 397789026 /nfs/dbraw/zinc/78/90/26/397789026.db2.gz GLWKFDGJPNYUSE-AWEZNQCLSA-N 0 3 242.322 1.573 20 30 BDEDHN Cc1nc(N[C@H]2CCN(C3CC3)C2)ccc1C#N ZINC000336790909 397950596 /nfs/dbraw/zinc/95/05/96/397950596.db2.gz MIVAYNBFMIULGV-LBPRGKRZSA-N 0 3 242.326 1.332 20 30 BDEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N(C)C1CC1 ZINC000336794923 397950701 /nfs/dbraw/zinc/95/07/01/397950701.db2.gz GQZVVYBURPQLIJ-SECBINFHSA-N 0 3 247.298 1.364 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@@](CO)(COC)C1 ZINC000650228283 397998028 /nfs/dbraw/zinc/99/80/28/397998028.db2.gz HUAZOTAEILUQBR-CHWSQXEVSA-N 0 3 225.332 1.119 20 30 BDEDHN CC[C@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000037238928 397998468 /nfs/dbraw/zinc/99/84/68/397998468.db2.gz KLKMPCNDANMKNH-ZWNOBZJWSA-N 0 3 218.300 1.980 20 30 BDEDHN Cc1cc(CN(C)C)cc(NC(=O)CC#N)c1 ZINC000274789394 398013592 /nfs/dbraw/zinc/01/35/92/398013592.db2.gz LBRWIPONHQVOSG-UHFFFAOYSA-N 0 3 231.299 1.909 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000491229143 398033453 /nfs/dbraw/zinc/03/34/53/398033453.db2.gz FFPCFHSZQTXLRG-QWHCGFSZSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(CC)CCCNC(=O)OC(C)(C)C ZINC000491406434 398039853 /nfs/dbraw/zinc/03/98/53/398039853.db2.gz NPKICDJNEOJWNN-UHFFFAOYSA-N 0 3 240.347 1.856 20 30 BDEDHN C#C[C@H](C)N(C)C[C@@H](O)Cc1ccccc1 ZINC000491406665 398040417 /nfs/dbraw/zinc/04/04/17/398040417.db2.gz OPCWJDDZSZWLQH-JSGCOSHPSA-N 0 3 217.312 1.544 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@@H](O)Cc1ccccc1 ZINC000491406667 398040648 /nfs/dbraw/zinc/04/06/48/398040648.db2.gz OPCWJDDZSZWLQH-OCCSQVGLSA-N 0 3 217.312 1.544 20 30 BDEDHN C#C[C@H](NC[C@H](O)c1ccc(F)cn1)C(C)C ZINC000491737819 398063624 /nfs/dbraw/zinc/06/36/24/398063624.db2.gz OLFOAAPHQDPDOR-AAEUAGOBSA-N 0 3 236.290 1.502 20 30 BDEDHN C#C[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC000491737797 398063729 /nfs/dbraw/zinc/06/37/29/398063729.db2.gz OKMYJLRJHCLXFK-QWRGUYRKSA-N 0 3 224.348 1.491 20 30 BDEDHN CC[C@H](N[C@@H](C)C(=O)NC)c1ccc(C#N)cc1 ZINC000292016220 398074852 /nfs/dbraw/zinc/07/48/52/398074852.db2.gz ZFTKMKCSQIJYFX-GWCFXTLKSA-N 0 3 245.326 1.733 20 30 BDEDHN COCC#CCN1CCCC[C@H]1COC ZINC000650301889 398080239 /nfs/dbraw/zinc/08/02/39/398080239.db2.gz XKPMEZOVMMRGSV-LBPRGKRZSA-N 0 3 211.305 1.137 20 30 BDEDHN C=C(CC)CN1CCC(N2CCOCC2)CC1 ZINC000625547217 398099740 /nfs/dbraw/zinc/09/97/40/398099740.db2.gz IPMBMMCCQLFICB-UHFFFAOYSA-N 0 3 238.375 1.749 20 30 BDEDHN C=C(C)[C@H](CO)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685588039 487559172 /nfs/dbraw/zinc/55/91/72/487559172.db2.gz ODSJPIJIAZHHEA-AVGNSLFASA-N 0 3 239.359 1.813 20 30 BDEDHN N#C[C@@H]1CC[C@H](N2CCC(CO)CC2)C1 ZINC000260280874 322883915 /nfs/dbraw/zinc/88/39/15/322883915.db2.gz JRZRUDQYLFTFST-NEPJUHHUSA-N 0 3 208.305 1.383 20 30 BDEDHN COCC#CCN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000680388473 487583156 /nfs/dbraw/zinc/58/31/56/487583156.db2.gz KJHDZHQMTZEIBC-OLZOCXBDSA-N 0 3 239.359 1.365 20 30 BDEDHN C#CCCOc1ccc(CNCCOC)cc1 ZINC000062729090 166150216 /nfs/dbraw/zinc/15/02/16/166150216.db2.gz IWWIDYIOJXHCRQ-UHFFFAOYSA-N 0 3 233.311 1.825 20 30 BDEDHN C#CCCCN1CCC[C@@]1(C)C(=O)OC ZINC000275112946 166131480 /nfs/dbraw/zinc/13/14/80/166131480.db2.gz NKYHQWDQWTWSEA-LBPRGKRZSA-N 0 3 209.289 1.427 20 30 BDEDHN C#CCCCN[C@H](COC)c1ccco1 ZINC000273513433 166132980 /nfs/dbraw/zinc/13/29/80/166132980.db2.gz PERJJFWGUOLKTO-LLVKDONJSA-N 0 3 207.273 1.970 20 30 BDEDHN C#CCCN(C)CCc1ncc(C)s1 ZINC000270518730 166134761 /nfs/dbraw/zinc/13/47/61/166134761.db2.gz LRUXIYVBGXGELR-UHFFFAOYSA-N 0 3 208.330 1.949 20 30 BDEDHN C=CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000660844008 409838448 /nfs/dbraw/zinc/83/84/48/409838448.db2.gz KQXQGJOBVPEJPK-SNVBAGLBSA-N 0 3 223.320 1.098 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927485 409972803 /nfs/dbraw/zinc/97/28/03/409972803.db2.gz BPQCOGCWEXNRIL-WOPDTQHZSA-N 0 3 222.332 1.552 20 30 BDEDHN C=CCN(CCN1CCCCC1)[C@@H](C)COC ZINC000661241502 410405514 /nfs/dbraw/zinc/40/55/14/410405514.db2.gz ZLIAFBJVTWGHGH-AWEZNQCLSA-N 0 3 240.391 1.995 20 30 BDEDHN C#CCN(C)C[C@H](O)CCc1ccccc1 ZINC000192224036 166159182 /nfs/dbraw/zinc/15/91/82/166159182.db2.gz VMVAGCIBPWSTKL-CQSZACIVSA-N 0 3 217.312 1.545 20 30 BDEDHN C#CCN(C)[C@H]1CCCC[C@@H]1N(C)CC#C ZINC000272360290 166161736 /nfs/dbraw/zinc/16/17/36/166161736.db2.gz SCVQOMFQIWRKGD-KBPBESRZSA-N 0 3 218.344 1.428 20 30 BDEDHN C#CCN(CCCC(=O)OCC)C1CC1 ZINC000274246504 166169876 /nfs/dbraw/zinc/16/98/76/166169876.db2.gz YPXKWKOVDCBIRW-UHFFFAOYSA-N 0 3 209.289 1.427 20 30 BDEDHN C#CCN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157167979 166192780 /nfs/dbraw/zinc/19/27/80/166192780.db2.gz IWIZCCZCAGVRJA-LLVKDONJSA-N 0 3 244.294 1.927 20 30 BDEDHN C(#Cc1ccccc1)CN[C@H]1CCN(C2CC2)C1 ZINC000051814384 166225246 /nfs/dbraw/zinc/22/52/46/166225246.db2.gz YHRLRFHVWXBKSL-HNNXBMFYSA-N 0 3 240.350 1.864 20 30 BDEDHN C=CCC[C@@H](C)NCCS(=O)(=O)CC=C ZINC000273455731 166293811 /nfs/dbraw/zinc/29/38/11/166293811.db2.gz PLIAFDARBONLLM-LLVKDONJSA-N 0 3 231.361 1.532 20 30 BDEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000152634838 166327597 /nfs/dbraw/zinc/32/75/97/166327597.db2.gz ZKHJKUHUHFHBKA-KBPBESRZSA-N 0 3 248.370 1.919 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H]1CCCN1C1CC1 ZINC000279072640 166331775 /nfs/dbraw/zinc/33/17/75/166331775.db2.gz DDBQZVJYEJUPEW-CYBMUJFWSA-N 0 3 234.343 1.814 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](N)[C@H](C)CC ZINC000019507561 166331932 /nfs/dbraw/zinc/33/19/32/166331932.db2.gz IUYFAFVXELVSKB-GHMZBOCLSA-N 0 3 210.321 1.560 20 30 BDEDHN C=CCN(CCc1ccccc1)C[C@H](O)COC ZINC000171972305 166343974 /nfs/dbraw/zinc/34/39/74/166343974.db2.gz QKMOMJIUUKYOFO-HNNXBMFYSA-N 0 3 249.354 1.724 20 30 BDEDHN C=CCN1CCC([C@H](O)c2nccn2C)CC1 ZINC000269736206 166352683 /nfs/dbraw/zinc/35/26/83/166352683.db2.gz ZUPGEUORJMSLEQ-LBPRGKRZSA-N 0 3 235.331 1.352 20 30 BDEDHN C=CCCCCCNC(=O)CNC1CC1 ZINC000655488721 410800492 /nfs/dbraw/zinc/80/04/92/410800492.db2.gz MAHLKOVZFONCQQ-UHFFFAOYSA-N 0 3 210.321 1.601 20 30 BDEDHN COCC(C)(C)CN1CC[C@](O)(CC#N)C1 ZINC000592522257 411133810 /nfs/dbraw/zinc/13/38/10/411133810.db2.gz JYXBPRITXDPMEV-GFCCVEGCSA-N 0 3 226.320 1.009 20 30 BDEDHN CN(CCN1CCCCC1)C[C@@H](C#N)CCC#N ZINC000593112791 411138154 /nfs/dbraw/zinc/13/81/54/411138154.db2.gz KDNVYDXUGGTJBE-CQSZACIVSA-N 0 3 248.374 1.848 20 30 BDEDHN C=CCNC(=O)CN[C@H](COC)CC(C)(C)C ZINC000651749480 411140633 /nfs/dbraw/zinc/14/06/33/411140633.db2.gz YBNKKYVOSIKXMI-NSHDSACASA-N 0 3 242.363 1.329 20 30 BDEDHN C=CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000048399272 411158571 /nfs/dbraw/zinc/15/85/71/411158571.db2.gz XEWZMQUWLXMFRS-UHFFFAOYSA-N 0 3 246.314 1.099 20 30 BDEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1O ZINC000567286736 411164759 /nfs/dbraw/zinc/16/47/59/411164759.db2.gz UWHURGCVEDJIDX-ZIAGYGMSSA-N 0 3 245.326 1.689 20 30 BDEDHN C=CCOCCN1CCN(C(C)(C)CC)CC1 ZINC000653811680 411190317 /nfs/dbraw/zinc/19/03/17/411190317.db2.gz UCKXKOSFMCNZTJ-UHFFFAOYSA-N 0 3 240.391 1.995 20 30 BDEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655517559 411190530 /nfs/dbraw/zinc/19/05/30/411190530.db2.gz FDHZASZLTMNGCY-JGVFFNPUSA-N 0 3 238.253 1.595 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](CCC)C1 ZINC000120951471 411267400 /nfs/dbraw/zinc/26/74/00/411267400.db2.gz KKJWCIOZUPKAJC-QWHCGFSZSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCC[C@H](C)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658158681 411272578 /nfs/dbraw/zinc/27/25/78/411272578.db2.gz JDRRZPGITXMASQ-VIFPVBQESA-N 0 3 224.308 1.395 20 30 BDEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NCCC#N)C1 ZINC000515166284 411273849 /nfs/dbraw/zinc/27/38/49/411273849.db2.gz IBVXVIMXBDMOMV-VXGBXAGGSA-N 0 3 237.347 1.573 20 30 BDEDHN CN(C)C1(CNC(=O)c2ccc(C#N)s2)CC1 ZINC000416302977 411274615 /nfs/dbraw/zinc/27/46/15/411274615.db2.gz PVPPCELPGAGLFL-UHFFFAOYSA-N 0 3 249.339 1.444 20 30 BDEDHN C=C(C)CN(C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000660219191 411299815 /nfs/dbraw/zinc/29/98/15/411299815.db2.gz AIMWSJPDELDIPK-UHFFFAOYSA-N 0 3 235.331 1.971 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(F)cc1C ZINC000662168587 411372401 /nfs/dbraw/zinc/37/24/01/411372401.db2.gz LZMSOAFOULEQHL-GFCCVEGCSA-N 0 3 209.264 1.771 20 30 BDEDHN C=C[C@H](CO)N[C@@H]1CCN(c2ccccc2)C1 ZINC000658334999 411343614 /nfs/dbraw/zinc/34/36/14/411343614.db2.gz HGDSDVQFHYHDGW-CHWSQXEVSA-N 0 3 232.327 1.402 20 30 BDEDHN CC1(C)[C@H](NCc2cccc(C#N)c2)C[C@@H]1O ZINC000129325167 168001224 /nfs/dbraw/zinc/00/12/24/168001224.db2.gz ZBOLDKYCSQDDRU-OLZOCXBDSA-N 0 3 230.311 1.807 20 30 BDEDHN C=CCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645100863 411390414 /nfs/dbraw/zinc/39/04/14/411390414.db2.gz RFEVRXNOAFALPA-LLVKDONJSA-N 0 3 225.336 1.298 20 30 BDEDHN C=CCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645100864 411391147 /nfs/dbraw/zinc/39/11/47/411391147.db2.gz RFEVRXNOAFALPA-NSHDSACASA-N 0 3 225.336 1.298 20 30 BDEDHN C=CCN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659310236 411392044 /nfs/dbraw/zinc/39/20/44/411392044.db2.gz WYTKYEREEAATLU-ZDUSSCGKSA-N 0 3 230.311 1.865 20 30 BDEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389850 411410496 /nfs/dbraw/zinc/41/04/96/411410496.db2.gz RXQMHKLGOAQYKO-VXGBXAGGSA-N 0 3 240.322 1.653 20 30 BDEDHN C=CCN(CC=C)C[C@@H](OC)[C@H]1CCOC1 ZINC000659838297 411470118 /nfs/dbraw/zinc/47/01/18/411470118.db2.gz LWFNVJKMXKVMCD-QWHCGFSZSA-N 0 3 225.332 1.712 20 30 BDEDHN Cn1cc(CNCCC(F)(F)F)cc1C#N ZINC000232315227 411494633 /nfs/dbraw/zinc/49/46/33/411494633.db2.gz GVGAZZKDUVIQRO-UHFFFAOYSA-N 0 3 231.221 1.939 20 30 BDEDHN C=C(C)CN(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000660221843 411556391 /nfs/dbraw/zinc/55/63/91/411556391.db2.gz SALXDTXUVWYZGT-CHWSQXEVSA-N 0 3 226.364 1.604 20 30 BDEDHN C=CCCNCc1ccnn1CC1CC1 ZINC000657583837 411555371 /nfs/dbraw/zinc/55/53/71/411555371.db2.gz REMARSPMOMMGTN-UHFFFAOYSA-N 0 3 205.305 1.959 20 30 BDEDHN C=CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000660279080 411564961 /nfs/dbraw/zinc/56/49/61/411564961.db2.gz CWXHVQQHMUXANT-UHFFFAOYSA-N 0 3 237.347 1.489 20 30 BDEDHN C=CCOCCCNCc1cncn1CC ZINC000657659470 411572732 /nfs/dbraw/zinc/57/27/32/411572732.db2.gz YLONDMKDKZBWQK-UHFFFAOYSA-N 0 3 223.320 1.585 20 30 BDEDHN CCOC1(C)CCN(CCOCCC#N)CC1 ZINC000339208377 170317720 /nfs/dbraw/zinc/31/77/20/170317720.db2.gz WFCXTTFBADTXSH-UHFFFAOYSA-N 0 3 240.347 1.808 20 30 BDEDHN C=CCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660869113 411661054 /nfs/dbraw/zinc/66/10/54/411661054.db2.gz OGMRGQIVHMFJDI-GHMZBOCLSA-N 0 3 237.347 1.487 20 30 BDEDHN C=CCN(CC[C@@H](C)O)[C@H](C)COC ZINC000661239412 411740611 /nfs/dbraw/zinc/74/06/11/411740611.db2.gz LRFVKPXTOHWHTQ-GHMZBOCLSA-N 0 3 201.310 1.280 20 30 BDEDHN C=CC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000661381406 411764241 /nfs/dbraw/zinc/76/42/41/411764241.db2.gz KHQIFKVFRVBTTE-NEPJUHHUSA-N 0 3 222.332 1.553 20 30 BDEDHN C=CCN(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661405920 411769737 /nfs/dbraw/zinc/76/97/37/411769737.db2.gz ZFKWSEWVGWXABH-LLVKDONJSA-N 0 3 239.363 1.687 20 30 BDEDHN COCC#CCN1CCC[C@H](C)[C@@H]1CCO ZINC000661489291 411787629 /nfs/dbraw/zinc/78/76/29/411787629.db2.gz AHBHTTHADKIMAD-STQMWFEESA-N 0 3 225.332 1.119 20 30 BDEDHN C=CCN(CC(=O)N1CCCC1)C(C)(C)C ZINC000661755331 411866044 /nfs/dbraw/zinc/86/60/44/411866044.db2.gz OPNGBQBGIMYPKG-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC2(CCCC2=O)CC1 ZINC000661957357 411920431 /nfs/dbraw/zinc/92/04/31/411920431.db2.gz DPAGMKGAKCAJNR-GFCCVEGCSA-N 0 3 237.343 1.759 20 30 BDEDHN C=CCN(CC=C)C(=O)CN1CC[C@H]2C[C@H]2C1 ZINC000661979771 411933397 /nfs/dbraw/zinc/93/33/97/411933397.db2.gz WFBZYPSGWDQIPT-STQMWFEESA-N 0 3 234.343 1.529 20 30 BDEDHN C=C(CC)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662013097 411941171 /nfs/dbraw/zinc/94/11/71/411941171.db2.gz RKBGBCCXIQFNNX-GFCCVEGCSA-N 0 3 239.363 1.640 20 30 BDEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C1CC1 ZINC000662079204 411979141 /nfs/dbraw/zinc/97/91/41/411979141.db2.gz IDDWNQKRCHOVCR-BETUJISGSA-N 0 3 234.343 1.790 20 30 BDEDHN C=C[C@H](CO)N[C@H](CCOC)c1ccccc1 ZINC000662168704 412017382 /nfs/dbraw/zinc/01/73/82/412017382.db2.gz RCZPFKDLYGNQKG-ZIAGYGMSSA-N 0 3 235.327 1.901 20 30 BDEDHN CC[C@@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000233974236 171184796 /nfs/dbraw/zinc/18/47/96/171184796.db2.gz WSDQSSPSPLOKGU-CQSZACIVSA-N 0 3 248.326 1.817 20 30 BDEDHN CC[C@H](C#N)C(=O)N(C)CCN1CCCC1 ZINC000063053012 171217780 /nfs/dbraw/zinc/21/77/80/171217780.db2.gz VIPZDPBDGNAYNR-LLVKDONJSA-N 0 3 223.320 1.090 20 30 BDEDHN C=C[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662610814 412240393 /nfs/dbraw/zinc/24/03/93/412240393.db2.gz FKZVSIURYPVGTQ-SECBINFHSA-N 0 3 216.284 1.594 20 30 BDEDHN Cc1cc(C#N)cc(NC[C@H]2CSCCN2)n1 ZINC000603420382 412301642 /nfs/dbraw/zinc/30/16/42/412301642.db2.gz TZXKWBOFLRMMBL-NSHDSACASA-N 0 3 248.355 1.379 20 30 BDEDHN CN(C)C(=O)CCNCc1ccc(C#N)s1 ZINC000135498559 172360856 /nfs/dbraw/zinc/36/08/56/172360856.db2.gz GVNLOHRNIIAWTH-UHFFFAOYSA-N 0 3 237.328 1.188 20 30 BDEDHN CN1CCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000302909662 173035000 /nfs/dbraw/zinc/03/50/00/173035000.db2.gz YPWLXJUSDIMEAB-CYBMUJFWSA-N 0 3 240.310 1.936 20 30 BDEDHN CN1CCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000227596632 173056273 /nfs/dbraw/zinc/05/62/73/173056273.db2.gz GQYIRWMFKMVEII-ZDUSSCGKSA-N 0 3 247.317 1.881 20 30 BDEDHN CNC(=O)CCCN(C)Cc1cccc(C#N)c1 ZINC000068818403 173238114 /nfs/dbraw/zinc/23/81/14/173238114.db2.gz WOVFAURYYQVQPH-UHFFFAOYSA-N 0 3 245.326 1.516 20 30 BDEDHN COCCN(C)CCOc1ccccc1C#N ZINC000042371562 174278441 /nfs/dbraw/zinc/27/84/41/174278441.db2.gz WNJVSOUALZJYED-UHFFFAOYSA-N 0 3 234.299 1.515 20 30 BDEDHN COCCN(C)CCOc1ccc(C#N)cc1 ZINC000048400568 174279513 /nfs/dbraw/zinc/27/95/13/174279513.db2.gz QGVRDVYJVKOEIP-UHFFFAOYSA-N 0 3 234.299 1.515 20 30 BDEDHN COCC[C@@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000281747739 174389782 /nfs/dbraw/zinc/38/97/82/174389782.db2.gz VUKGFMBTAHHKBM-RISCZKNCSA-N 0 3 248.326 1.606 20 30 BDEDHN COc1ccc(CNC[C@@H]2CCCO2)cc1C#N ZINC000087822452 175107299 /nfs/dbraw/zinc/10/72/99/175107299.db2.gz QGBNVNDOVDRBPB-ZDUSSCGKSA-N 0 3 246.310 1.835 20 30 BDEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCCO ZINC000299368824 176012947 /nfs/dbraw/zinc/01/29/47/176012947.db2.gz KHWZPTFLWYUMML-NSHDSACASA-N 0 3 218.300 1.933 20 30 BDEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@H](O)C[C@H]1CO ZINC000375546522 176016738 /nfs/dbraw/zinc/01/67/38/176016738.db2.gz UPPOMTHOZWUVJW-LEWSCRJBSA-N 0 3 246.310 1.047 20 30 BDEDHN C[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191350208 176108814 /nfs/dbraw/zinc/10/88/14/176108814.db2.gz HQLVMQDCARJWEN-SNVBAGLBSA-N 0 3 203.289 1.881 20 30 BDEDHN C[C@@H]1CN(CC2(C#N)CCC2)C[C@H]1CO ZINC000336256033 176285065 /nfs/dbraw/zinc/28/50/65/176285065.db2.gz LIJMVSPGQGTZRO-MNOVXSKESA-N 0 3 208.305 1.240 20 30 BDEDHN C[C@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000276809792 176301235 /nfs/dbraw/zinc/30/12/35/176301235.db2.gz XMVOYLLIILYVJX-PHIMTYICSA-N 0 3 217.316 1.985 20 30 BDEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1CO ZINC000191729614 176302416 /nfs/dbraw/zinc/30/24/16/176302416.db2.gz NJQUSWDHOCLWMM-RISCZKNCSA-N 0 3 230.311 1.618 20 30 BDEDHN C[C@@H]1C[C@@H](N(C)c2ncccc2C#N)CCN1C ZINC000266207989 176370662 /nfs/dbraw/zinc/37/06/62/176370662.db2.gz FNBUYTOGEIWIGB-YPMHNXCESA-N 0 3 244.342 1.872 20 30 BDEDHN C[C@@H]1[C@H](O)CCCN1Cc1ccc(C#N)cc1 ZINC000294960462 176503660 /nfs/dbraw/zinc/50/36/60/176503660.db2.gz IGVFBHHDQKRCFE-BXUZGUMPSA-N 0 3 230.311 1.903 20 30 BDEDHN C[C@H](O)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000272608504 177015200 /nfs/dbraw/zinc/01/52/00/177015200.db2.gz SANYLTGXCQZENM-JSGCOSHPSA-N 0 3 247.313 1.880 20 30 BDEDHN C[C@H]1COCC[C@@H]1NCc1ccc(C#N)o1 ZINC000278022307 177295345 /nfs/dbraw/zinc/29/53/45/177295345.db2.gz WMJHOKKERAZLLG-CABZTGNLSA-N 0 3 220.272 1.666 20 30 BDEDHN C[C@H]1C[C@@H](O)CN1CCOc1cccc(C#N)c1 ZINC000340964768 177337560 /nfs/dbraw/zinc/33/75/60/177337560.db2.gz JASPFACGBZKMSA-WCQYABFASA-N 0 3 246.310 1.392 20 30 BDEDHN C[C@H]1C[C@H](N(C)c2cnc(C#N)cn2)CCN1C ZINC000125447781 177364364 /nfs/dbraw/zinc/36/43/64/177364364.db2.gz NQJACAMFTNLDOO-CMPLNLGQSA-N 0 3 245.330 1.267 20 30 BDEDHN C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C1CC1 ZINC000126744215 177372721 /nfs/dbraw/zinc/37/27/21/177372721.db2.gz GGTXDUMFUFHYBQ-UWVGGRQHSA-N 0 3 243.314 1.385 20 30 BDEDHN C[C@H]1C[C@H](O)CN1CCOc1ccccc1C#N ZINC000340934619 177373265 /nfs/dbraw/zinc/37/32/65/177373265.db2.gz WIIWMGOVRZLTSX-AAEUAGOBSA-N 0 3 246.310 1.392 20 30 BDEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000451019276 224894827 /nfs/dbraw/zinc/89/48/27/224894827.db2.gz ZYZPLYYUNFZMAO-RISCZKNCSA-N 0 3 249.358 1.479 20 30 BDEDHN COC[C@@H](NC(=O)C(C)C#N)c1ccc(C)o1 ZINC000471746487 225076216 /nfs/dbraw/zinc/07/62/16/225076216.db2.gz SZROIEGZLVPTIA-WCBMZHEXSA-N 0 3 236.271 1.551 20 30 BDEDHN Cc1nc(N[C@H]2CCCN(C)[C@H]2C)ccc1C#N ZINC000488129958 225349932 /nfs/dbraw/zinc/34/99/32/225349932.db2.gz ROHCOUYQZCOFAI-AAEUAGOBSA-N 0 3 244.342 1.578 20 30 BDEDHN CN(C)C/C=C\C(=O)N1CCC(CC#N)CC1 ZINC000492451960 226001532 /nfs/dbraw/zinc/00/15/32/226001532.db2.gz BLEZLHWBHSOFJF-ARJAWSKDSA-N 0 3 235.331 1.256 20 30 BDEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)C(C)(C)C ZINC000493585297 226244779 /nfs/dbraw/zinc/24/47/79/226244779.db2.gz INLQBRSXDSJFQC-GFVADAIESA-N 0 3 223.320 1.159 20 30 BDEDHN C[C@@](O)(CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC000404093082 229368420 /nfs/dbraw/zinc/36/84/20/229368420.db2.gz VBXPGUBFKZQZEH-CQSZACIVSA-N 0 3 248.301 1.948 20 30 BDEDHN N#Cc1ccc(CNCCC2(CO)CC2)s1 ZINC000395808014 262792861 /nfs/dbraw/zinc/79/28/61/262792861.db2.gz FQGUUWXJNBMJQN-UHFFFAOYSA-N 0 3 236.340 1.872 20 30 BDEDHN C=CCN1CCC(NC(=O)NC2CC=CC2)CC1 ZINC000675311730 487700073 /nfs/dbraw/zinc/70/00/73/487700073.db2.gz JJJSXXWLHVYMDF-UHFFFAOYSA-N 0 3 249.358 1.655 20 30 BDEDHN N#Cc1ccc(CNCC23CC(C2)CO3)c(F)c1 ZINC000527786434 268232477 /nfs/dbraw/zinc/23/24/77/268232477.db2.gz CVEUUMVUOBKVNC-UHFFFAOYSA-N 0 3 246.285 1.966 20 30 BDEDHN C=CCN(C[C@H](OC)[C@H]1CCOC1)C1CC1 ZINC000660168678 487724879 /nfs/dbraw/zinc/72/48/79/487724879.db2.gz ABLHCPVXAYFWSC-AAEUAGOBSA-N 0 3 225.332 1.688 20 30 BDEDHN CC1(CN2CC[C@@](O)(CC#N)C2)CCC1 ZINC000592153295 487807489 /nfs/dbraw/zinc/80/74/89/487807489.db2.gz LKWAMGICWIVADT-LBPRGKRZSA-N 0 3 208.305 1.527 20 30 BDEDHN C=C(C)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000681660455 487833974 /nfs/dbraw/zinc/83/39/74/487833974.db2.gz GBNFRAOZBCRNQD-GFCCVEGCSA-N 0 3 237.347 1.346 20 30 BDEDHN CCC#C[C@@H](C)N1CCN([C@H](CC)CO)CC1 ZINC000677047489 487839693 /nfs/dbraw/zinc/83/96/93/487839693.db2.gz BZYKWCACYHPKCJ-ZIAGYGMSSA-N 0 3 238.375 1.177 20 30 BDEDHN C=CC(C)(C)CCCNCCS(C)(=O)=O ZINC000872242987 589899401 /nfs/dbraw/zinc/89/94/01/589899401.db2.gz HJASATCFZVTKPV-UHFFFAOYSA-N 0 3 233.377 1.613 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)C1CC1 ZINC000877024109 590270623 /nfs/dbraw/zinc/27/06/23/590270623.db2.gz QMOCUBBZZSLPRV-JTQLQIEISA-N 0 3 228.723 1.610 20 30 BDEDHN C=C(C)[C@H](CO)N1CC[C@H](C)[C@H](OC)C1 ZINC000682221322 487929714 /nfs/dbraw/zinc/92/97/14/487929714.db2.gz WNSKPSZFBXXKFI-SDDRHHMPSA-N 0 3 213.321 1.280 20 30 BDEDHN C[C@@H](CCC#N)N1CCC(O)(C(F)F)CC1 ZINC000569581936 322971319 /nfs/dbraw/zinc/97/13/19/322971319.db2.gz NXPMLVBPSOVDGI-VIFPVBQESA-N 0 3 232.274 1.771 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N(CC)C[C@@H](C)CC ZINC000245802775 323007592 /nfs/dbraw/zinc/00/75/92/323007592.db2.gz POCXZVUMYDDJQF-NWDGAFQWSA-N 0 3 224.348 1.492 20 30 BDEDHN C=CCCCCN(CCC)CC(=O)NC ZINC000562687084 323027720 /nfs/dbraw/zinc/02/77/20/323027720.db2.gz TVYJFSJPHDGAGW-UHFFFAOYSA-N 0 3 212.337 1.801 20 30 BDEDHN C=CCC[C@H](CO)NCc1cnc(C)n1C ZINC000569710184 323038100 /nfs/dbraw/zinc/03/81/00/323038100.db2.gz PFKKSKZHOMHRSV-LLVKDONJSA-N 0 3 223.320 1.145 20 30 BDEDHN CC[C@@H](CCO)CNC[C@@H](C#N)CCC#N ZINC000569845316 323042642 /nfs/dbraw/zinc/04/26/42/323042642.db2.gz HADFUMQAWLXQNJ-NWDGAFQWSA-N 0 3 223.320 1.428 20 30 BDEDHN C=CCCCCN(CC(N)=O)C(C)(C)C ZINC000570789061 323070261 /nfs/dbraw/zinc/07/02/61/323070261.db2.gz BJTOXNOLBGNGEO-UHFFFAOYSA-N 0 3 212.337 1.929 20 30 BDEDHN CC1CC(C#N)(C(=O)NCCN2CC[C@H](C)C2)C1 ZINC000531567837 323110061 /nfs/dbraw/zinc/11/00/61/323110061.db2.gz GYFMDXJXWHJAGY-DCBWTQNWSA-N 0 3 249.358 1.384 20 30 BDEDHN C=CCN1CCC(NCc2nc(C)c(C)[nH]2)CC1 ZINC000563440768 323125989 /nfs/dbraw/zinc/12/59/89/323125989.db2.gz SCYPNNPJXYLRAS-UHFFFAOYSA-N 0 3 248.374 1.767 20 30 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C=CC[C@@H](CO)CN[C@@H](C)c1cc(C)nn1C ZINC000793543986 583589528 /nfs/dbraw/zinc/58/95/28/583589528.db2.gz CKNVBIPUIPFKLZ-NWDGAFQWSA-N 0 3 237.347 1.564 20 30 BDEDHN C=CC[C@H](CO)N[C@H]1CCCc2c[nH]nc21 ZINC000857864568 588915260 /nfs/dbraw/zinc/91/52/60/588915260.db2.gz HAJQTWDPWAOUKA-MNOVXSKESA-N 0 3 221.304 1.314 20 30 BDEDHN C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895156823 583607768 /nfs/dbraw/zinc/60/77/68/583607768.db2.gz GYXOIYWBZAQZMS-GRYCIOLGSA-N 0 3 240.347 1.925 20 30 BDEDHN C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895156829 583608060 /nfs/dbraw/zinc/60/80/60/583608060.db2.gz GYXOIYWBZAQZMS-WOPDTQHZSA-N 0 3 240.347 1.925 20 30 BDEDHN CC1=CC[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895157795 583608132 /nfs/dbraw/zinc/60/81/32/583608132.db2.gz FRXSFHGWYUPAMP-MNOVXSKESA-N 0 3 224.304 1.455 20 30 BDEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895156915 583608152 /nfs/dbraw/zinc/60/81/52/583608152.db2.gz ILAKUAIWDWATPG-GRYCIOLGSA-N 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/nfs/dbraw/zinc/60/92/40/583609240.db2.gz JDCCDNPWJVRQKE-VIFPVBQESA-N 0 3 214.309 1.392 20 30 BDEDHN CC(C)[C@@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161967 583610315 /nfs/dbraw/zinc/61/03/15/583610315.db2.gz IVOPRWPIFYWCAL-RKDXNWHRSA-N 0 3 200.282 1.001 20 30 BDEDHN C[C@@H]([NH2+][C@@H]1CCCN([O-])C1=O)C1CCC1 ZINC000895162053 583610606 /nfs/dbraw/zinc/61/06/06/583610606.db2.gz VZOUVTGYNCPNID-PSASIEDQSA-N 0 3 212.293 1.145 20 30 BDEDHN C=C(C)C[C@H](CO)Nc1nc(C)cc(N)n1 ZINC000895172119 583612586 /nfs/dbraw/zinc/61/25/86/583612586.db2.gz KQDZOZMNEFSHDW-SECBINFHSA-N 0 3 222.292 1.106 20 30 BDEDHN C=CCC[C@H](CC)N[C@@H](C)C1N=NC(=O)N1C ZINC000895175944 583615726 /nfs/dbraw/zinc/61/57/26/583615726.db2.gz LHFSVMNRSSBKMW-UWVGGRQHSA-N 0 3 238.335 1.916 20 30 BDEDHN C#CCNC(=O)CN[C@@H](CCC)c1ccccc1 ZINC000727311111 583629796 /nfs/dbraw/zinc/62/97/96/583629796.db2.gz WXSVWINXTJBWPB-AWEZNQCLSA-N 0 3 244.338 1.867 20 30 BDEDHN C=C(CC)CNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895254775 583633745 /nfs/dbraw/zinc/63/37/45/583633745.db2.gz HTGGFDRDBXVOEF-VXGBXAGGSA-N 0 3 237.347 1.298 20 30 BDEDHN C=CCCNCc1cnn(C)c1C1CC1 ZINC000895328537 583651838 /nfs/dbraw/zinc/65/18/38/583651838.db2.gz AEYMAUJIHOANIX-UHFFFAOYSA-N 0 3 205.305 1.963 20 30 BDEDHN C=CCOCCCNCc1cn(C)nc1C1CC1 ZINC000895376590 583661558 /nfs/dbraw/zinc/66/15/58/583661558.db2.gz FLTJAEKGVGCBBY-UHFFFAOYSA-N 0 3 249.358 1.980 20 30 BDEDHN C[C@@H](CCC#N)CN1CCNC(=O)CC1(C)C ZINC000895399643 583665825 /nfs/dbraw/zinc/66/58/25/583665825.db2.gz GDONTTLIKLRBPL-NSHDSACASA-N 0 3 237.347 1.527 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1ocnc1C ZINC000895414586 583666995 /nfs/dbraw/zinc/66/69/95/583666995.db2.gz DKMFYUGGJKPNCM-NSHDSACASA-N 0 3 222.288 1.501 20 30 BDEDHN C[C@H](CC(C)(C)C#N)NCc1c[nH]nn1 ZINC000895534882 583686197 /nfs/dbraw/zinc/68/61/97/583686197.db2.gz WEFUOAWLYLCXLG-MRVPVSSYSA-N 0 3 207.281 1.223 20 30 BDEDHN C=C(C)CONC(=O)NCCN1CC[C@@H](C)C1 ZINC000895578983 583694680 /nfs/dbraw/zinc/69/46/80/583694680.db2.gz 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DAUYTBLEIHBKGC-HBNTYKKESA-N 0 3 226.320 1.666 20 30 BDEDHN COC(OC)[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000895788884 583727913 /nfs/dbraw/zinc/72/79/13/583727913.db2.gz BKHZURYHTOIYAS-NXEZZACHSA-N 0 3 228.336 1.912 20 30 BDEDHN C#CCN1CCC(Nc2cc(C)nc(C)n2)CC1 ZINC000895804118 583731748 /nfs/dbraw/zinc/73/17/48/583731748.db2.gz NSMXWIIPYBOVEK-UHFFFAOYSA-N 0 3 244.342 1.603 20 30 BDEDHN C=C(C)C[C@@H](CO)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000896034948 583764249 /nfs/dbraw/zinc/76/42/49/583764249.db2.gz JQEDNERMOCQIFF-NSHDSACASA-N 0 3 239.290 1.948 20 30 BDEDHN C=C(C)C[C@@H](CO)NCC#Cc1ccccc1 ZINC000896035009 583764567 /nfs/dbraw/zinc/76/45/67/583764567.db2.gz LTWCRSFMCAQBOE-HNNXBMFYSA-N 0 3 229.323 1.955 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1cnc(C)n1C ZINC000883399279 583793955 /nfs/dbraw/zinc/79/39/55/583793955.db2.gz IUPZCEFOZDGNQE-LLVKDONJSA-N 0 3 223.320 1.145 20 30 BDEDHN CN1CCC2(CCN2c2ccc(C#N)cn2)CC1 ZINC000897133992 583882916 /nfs/dbraw/zinc/88/29/16/583882916.db2.gz VYJIIJMNTCCLRC-UHFFFAOYSA-N 0 3 242.326 1.628 20 30 BDEDHN CN1CCC2(CCN2c2ccc(C#N)nn2)CC1 ZINC000897134157 583882920 /nfs/dbraw/zinc/88/29/20/583882920.db2.gz ZEFNREHWIVRLFR-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2c[nH]nc2C)C1 ZINC000862443319 583963005 /nfs/dbraw/zinc/96/30/05/583963005.db2.gz OGFJFMAQOPMRKC-LLVKDONJSA-N 0 3 203.289 1.563 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cnn(C(C)C)c1 ZINC000858334163 588946443 /nfs/dbraw/zinc/94/64/43/588946443.db2.gz SSCWQQKQSGIPLE-AWEZNQCLSA-N 0 3 249.358 1.982 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cc(C)nn1C ZINC000858335111 588947167 /nfs/dbraw/zinc/94/71/67/588947167.db2.gz VLMFNAQACKGRJG-LBPRGKRZSA-N 0 3 235.331 1.247 20 30 BDEDHN C#CC[C@@H](COC)NCc1cccc2nccn21 ZINC000858335008 588947307 /nfs/dbraw/zinc/94/73/07/588947307.db2.gz KPZCCLPUXLLGHH-LBPRGKRZSA-N 0 3 243.310 1.462 20 30 BDEDHN Cc1cc(CN[C@@H]2CC23CC(O)C3)ccc1C#N ZINC000897845843 584053898 /nfs/dbraw/zinc/05/38/98/584053898.db2.gz KQCFWKLDOFVUIR-SHARSMKWSA-N 0 3 242.322 1.870 20 30 BDEDHN CO[C@@H]1CCOC[C@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000897889972 584057705 /nfs/dbraw/zinc/05/77/05/584057705.db2.gz CWHQXSLSEXUNBS-UMSGYPCISA-N 0 3 238.331 1.462 20 30 BDEDHN O[C@H](CCNCC#Cc1ccccc1)C1CC1 ZINC000898199649 584098737 /nfs/dbraw/zinc/09/87/37/584098737.db2.gz PUVDBPPTQPKFHL-OAHLLOKOSA-N 0 3 229.323 1.789 20 30 BDEDHN N#Cc1ccc(CNCC[C@H](O)C2CC2)cc1F ZINC000898199119 584098786 /nfs/dbraw/zinc/09/87/86/584098786.db2.gz KLLARUCHMODUJV-AWEZNQCLSA-N 0 3 248.301 1.948 20 30 BDEDHN C=CC(C)(C)NCc1ccc(C(N)=O)cc1 ZINC000898457141 584136626 /nfs/dbraw/zinc/13/66/26/584136626.db2.gz LJNNZKMVAJXCNW-UHFFFAOYSA-N 0 3 218.300 1.840 20 30 BDEDHN C=C1CN(C(=O)CN(C)CCCCCC)C1 ZINC000898695023 584154378 /nfs/dbraw/zinc/15/43/78/584154378.db2.gz RZPWMAVJMBPSHZ-UHFFFAOYSA-N 0 3 224.348 1.897 20 30 BDEDHN C=C1CCC(C(=O)N2CCNC(C)(C)C2)CC1 ZINC000900938319 584367368 /nfs/dbraw/zinc/36/73/68/584367368.db2.gz SQOUNFIXMXPOBH-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN C#CCN(CCc1cn(C)nn1)C1CCCCC1 ZINC000859093638 589000636 /nfs/dbraw/zinc/00/06/36/589000636.db2.gz RZJQUWVZRLYGKX-UHFFFAOYSA-N 0 3 246.358 1.626 20 30 BDEDHN CCOC[C@H]1CCCN(CCO[C@@H](C)C#N)C1 ZINC000801921598 584643346 /nfs/dbraw/zinc/64/33/46/584643346.db2.gz HGSXMFNVBFINLY-STQMWFEESA-N 0 3 240.347 1.664 20 30 BDEDHN C[C@H](NC[C@@H]1CCCN1C)c1cc(C#N)ccn1 ZINC000902766705 584666987 /nfs/dbraw/zinc/66/69/87/584666987.db2.gz QAMWVDUUGJQLRN-AAEUAGOBSA-N 0 3 244.342 1.698 20 30 BDEDHN C[C@@H](NCC1(O)CCCC1)c1cc(C#N)ccn1 ZINC000902801597 584670835 /nfs/dbraw/zinc/67/08/35/584670835.db2.gz BSHIORDWQJHXMV-LLVKDONJSA-N 0 3 245.326 1.909 20 30 BDEDHN C[C@H](N[C@@H]1CCN(C)C1)c1cc(C#N)ccn1 ZINC000902790478 584672544 /nfs/dbraw/zinc/67/25/44/584672544.db2.gz PHCGESJCQMWQHO-CMPLNLGQSA-N 0 3 230.315 1.308 20 30 BDEDHN CC[C@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902796721 584674709 /nfs/dbraw/zinc/67/47/09/584674709.db2.gz UHLXMBNRLLHVLV-MFKMUULPSA-N 0 3 233.315 1.765 20 30 BDEDHN C[C@H](NC[C@](C)(O)C1CC1)c1cc(C#N)ccn1 ZINC000902801037 584675359 /nfs/dbraw/zinc/67/53/59/584675359.db2.gz ZEWIPPSPJDQHJE-HZMBPMFUSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1cc(C#N)ccn1 ZINC000902947296 584703529 /nfs/dbraw/zinc/70/35/29/584703529.db2.gz GKAHJOFGSICQKC-GARJFASQSA-N 0 3 233.315 1.763 20 30 BDEDHN CC[C@H](N[C@H](CO)COC)c1cccc(C#N)c1 ZINC000902976828 584707542 /nfs/dbraw/zinc/70/75/42/584707542.db2.gz VILNVBDLSOBPDY-KGLIPLIRSA-N 0 3 248.326 1.606 20 30 BDEDHN C[C@H](NCC1CCC(C#N)CC1)c1cn(C)nn1 ZINC000902982286 584708347 /nfs/dbraw/zinc/70/83/47/584708347.db2.gz ZFWLQWKCGJXVRF-UNXYVOJBSA-N 0 3 247.346 1.796 20 30 BDEDHN C[C@H](NC[C@@H]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902970382 584712534 /nfs/dbraw/zinc/71/25/34/584712534.db2.gz MKTSGVNZCQLKQO-UHTWSYAYSA-N 0 3 245.326 1.765 20 30 BDEDHN CCN1CC[C@@H]1CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903089392 584725525 /nfs/dbraw/zinc/72/55/25/584725525.db2.gz SZUSXIRRJZXXNM-WCQYABFASA-N 0 3 244.342 1.698 20 30 BDEDHN C#C[C@H](NCC1=CCCOC1)C1CCOCC1 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/nfs/dbraw/zinc/99/50/02/584995002.db2.gz BXTWIQGUZWJBNR-MNOVXSKESA-N 0 3 236.315 1.754 20 30 BDEDHN CC(C#N)C(=O)N1CCC(n2cccn2)CC1 ZINC000736672716 585009322 /nfs/dbraw/zinc/00/93/22/585009322.db2.gz LPOAJLKMCISVSM-SNVBAGLBSA-N 0 3 232.287 1.206 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc(Cl)nc1 ZINC000736673111 585009431 /nfs/dbraw/zinc/00/94/31/585009431.db2.gz PANHAMUHJNOPSD-SSDOTTSWSA-N 0 3 223.663 1.511 20 30 BDEDHN CC(C)CO[C@H]1CC(=Nn2cnnc2)C1(C)C ZINC000737413433 585031658 /nfs/dbraw/zinc/03/16/58/585031658.db2.gz BUWRPLRRXFUVFR-NSHDSACASA-N 0 3 236.319 1.953 20 30 BDEDHN Cc1ccc2c(c1C)C(=NNC(=N)N)CCO2 ZINC000737416731 585031887 /nfs/dbraw/zinc/03/18/87/585031887.db2.gz STBBUNIWPBNSIX-UHFFFAOYSA-N 0 3 232.287 1.273 20 30 BDEDHN C#C[C@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000839088025 585090630 /nfs/dbraw/zinc/09/06/30/585090630.db2.gz KTYVCIGKPLKFRA-ZDCRXTMVSA-N 0 3 213.346 1.507 20 30 BDEDHN C#CCCN1CCC(NC(=O)C(C)(C)C)CC1 ZINC000740735805 585106016 /nfs/dbraw/zinc/10/60/16/585106016.db2.gz QATQFWIEQUBZDM-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN Cc1cc(C)nc(N=NC2CCN(C)[C@@H](C)C2)n1 ZINC000741449878 585114021 /nfs/dbraw/zinc/11/40/21/585114021.db2.gz QZCBAFLZGQBETA-NSHDSACASA-N 0 3 247.346 1.975 20 30 BDEDHN COc1ccnc(N=NC2CCN(C)[C@H](C)C2)n1 ZINC000741460699 585114371 /nfs/dbraw/zinc/11/43/71/585114371.db2.gz UAIRKPPRDIKNBR-SECBINFHSA-N 0 3 249.318 1.367 20 30 BDEDHN CCN1CCC(=NNC(=S)N(C)C)[C@@H](C)C1 ZINC000741463661 585114391 /nfs/dbraw/zinc/11/43/91/585114391.db2.gz GAHUVTAPYATTDW-VIFPVBQESA-N 0 3 242.392 1.140 20 30 BDEDHN CSc1ccc(C(C)=NNC(=N)N)cc1F ZINC000741760257 585117908 /nfs/dbraw/zinc/11/79/08/585117908.db2.gz VIHJMEZIESIUOM-UHFFFAOYSA-N 0 3 240.307 1.755 20 30 BDEDHN CC#CCN(CC)CCc1ccccn1 ZINC000741781394 585118497 /nfs/dbraw/zinc/11/84/97/585118497.db2.gz KJGCGSINENBHLL-UHFFFAOYSA-N 0 3 202.301 1.969 20 30 BDEDHN C=CCNC(=S)NCCN1CCC[C@H]1C ZINC000743017721 585132606 /nfs/dbraw/zinc/13/26/06/585132606.db2.gz YTNQYMMUXIMOMZ-SNVBAGLBSA-N 0 3 227.377 1.121 20 30 BDEDHN C#CC[C@H]1CCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000886365997 585134888 /nfs/dbraw/zinc/13/48/88/585134888.db2.gz UXFZZZSFBBWSIZ-JSGCOSHPSA-N 0 3 246.354 1.485 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000743488335 585137627 /nfs/dbraw/zinc/13/76/27/585137627.db2.gz HDJNIWDLWZVTEC-ZJUUUORDSA-N 0 3 240.303 1.051 20 30 BDEDHN N#CCCNC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000743849958 585140616 /nfs/dbraw/zinc/14/06/16/585140616.db2.gz DGHFLWKVKHOFGD-VXGBXAGGSA-N 0 3 235.331 1.281 20 30 BDEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NCCC#N ZINC000743853708 585141288 /nfs/dbraw/zinc/14/12/88/585141288.db2.gz CSRVBPGPOHAPLX-JHJVBQTASA-N 0 3 249.358 1.669 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000744030940 585142300 /nfs/dbraw/zinc/14/23/00/585142300.db2.gz OLVAHHHTQNNJAP-ZETCQYMHSA-N 0 3 248.204 1.340 20 30 BDEDHN CCN(CCC(=O)NC)Cc1cccc(C#N)c1 ZINC000746133232 585163509 /nfs/dbraw/zinc/16/35/09/585163509.db2.gz IJTPKLZZBNCDJI-UHFFFAOYSA-N 0 3 245.326 1.516 20 30 BDEDHN C=CCN(C(=O)C1CCN(C)CC1)C(C)C ZINC000746219000 585165760 /nfs/dbraw/zinc/16/57/60/585165760.db2.gz QBOBODVCOSBZLB-UHFFFAOYSA-N 0 3 224.348 1.751 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1ccccc1F ZINC000746711227 585172334 /nfs/dbraw/zinc/17/23/34/585172334.db2.gz DVSNSFJXNMMRPZ-KWQFWETISA-N 0 3 236.246 1.135 20 30 BDEDHN Fc1ccc(/C=C\C=Nn2cnnc2)cc1 ZINC000747736689 585182990 /nfs/dbraw/zinc/18/29/90/585182990.db2.gz RYCFEOSTDISRSP-BMYOLEBSSA-N 0 3 216.219 1.965 20 30 BDEDHN CC(=NNC(=N)N)c1coc2ccccc12 ZINC000747751744 585183287 /nfs/dbraw/zinc/18/32/87/585183287.db2.gz PHNWGTOBJQODIG-UHFFFAOYSA-N 0 3 216.244 1.640 20 30 BDEDHN CSc1ccc2c(c1)CCCC2=NNC(=N)N ZINC000748133565 585187994 /nfs/dbraw/zinc/18/79/94/585187994.db2.gz IEDCJFGGIDZEIP-UHFFFAOYSA-N 0 3 248.355 1.932 20 30 BDEDHN C#CCNC(=O)CN(C)C1CCCCCCC1 ZINC000748805674 585196706 /nfs/dbraw/zinc/19/67/06/585196706.db2.gz OYHQTDYJYRMGMH-UHFFFAOYSA-N 0 3 236.359 1.781 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000751964435 585239755 /nfs/dbraw/zinc/23/97/55/585239755.db2.gz XQSIKVQSFDPXQX-LBPRGKRZSA-N 0 3 248.330 1.202 20 30 BDEDHN C#CCOc1ccc(CNCCN2CCC2)cc1 ZINC000752101454 585242303 /nfs/dbraw/zinc/24/23/03/585242303.db2.gz KGXWYZSUBFGLBD-UHFFFAOYSA-N 0 3 244.338 1.494 20 30 BDEDHN Cc1noc(C)c1CCCNC(=O)C(C)C#N ZINC000753676123 585266008 /nfs/dbraw/zinc/26/60/08/585266008.db2.gz KRJIZAKHIHWJLJ-QMMMGPOBSA-N 0 3 235.287 1.500 20 30 BDEDHN C#CCOCCN[C@@H](C)c1cccc(OC)c1 ZINC000753766455 585268472 /nfs/dbraw/zinc/26/84/72/585268472.db2.gz FTOUIZYNHMTPKM-LBPRGKRZSA-N 0 3 233.311 1.996 20 30 BDEDHN C#CCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000753766456 585268613 /nfs/dbraw/zinc/26/86/13/585268613.db2.gz FUGKTOSDVJSZRP-LLVKDONJSA-N 0 3 248.282 1.895 20 30 BDEDHN C#CCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754215855 585280876 /nfs/dbraw/zinc/28/08/76/585280876.db2.gz POUYAXSPEQKBDR-UHFFFAOYSA-N 0 3 245.282 1.761 20 30 BDEDHN N#CCCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000754250473 585280978 /nfs/dbraw/zinc/28/09/78/585280978.db2.gz IEEDPKXMNOMCCC-GFCCVEGCSA-N 0 3 249.270 1.522 20 30 BDEDHN N=C(N)NN=Cc1ccc(OC(F)F)c(F)c1 ZINC000754706797 585289764 /nfs/dbraw/zinc/28/97/64/585289764.db2.gz PLTWPZRHUFORDU-UHFFFAOYSA-N 0 3 246.192 1.244 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC000755614870 585302325 /nfs/dbraw/zinc/30/23/25/585302325.db2.gz TZJHMNBUYADFJK-VHSXEESVSA-N 0 3 238.331 1.904 20 30 BDEDHN CC[C@H](C)NN=Cc1ccc(N(C)CCO)cc1 ZINC000790189378 585331111 /nfs/dbraw/zinc/33/11/11/585331111.db2.gz NNAYGSGCWARTLU-LBPRGKRZSA-N 0 3 249.358 1.837 20 30 BDEDHN N#CCCNC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000839678355 585336945 /nfs/dbraw/zinc/33/69/45/585336945.db2.gz ZFAWBQAGNKAXQN-GFCCVEGCSA-N 0 3 235.331 1.138 20 30 BDEDHN C=CCO[N-]C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000839788858 585342323 /nfs/dbraw/zinc/34/23/23/585342323.db2.gz LUOUYNGQOZTGDR-NSHDSACASA-N 0 3 226.320 1.485 20 30 BDEDHN C=CCO[N-]C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000839788858 585342324 /nfs/dbraw/zinc/34/23/24/585342324.db2.gz LUOUYNGQOZTGDR-NSHDSACASA-N 0 3 226.320 1.485 20 30 BDEDHN C#CCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000758337725 585353968 /nfs/dbraw/zinc/35/39/68/585353968.db2.gz YAEBUPDKAAXRGV-ZDUSSCGKSA-N 0 3 234.343 1.485 20 30 BDEDHN C#CCCCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000758636256 585357944 /nfs/dbraw/zinc/35/79/44/585357944.db2.gz ICVOLXJRYDZNRI-BETUJISGSA-N 0 3 236.359 1.779 20 30 BDEDHN C#CCCCC(=O)NC[C@H](C)N1CCCC1 ZINC000760278713 585388741 /nfs/dbraw/zinc/38/87/41/585388741.db2.gz WXEYLAISXTUVLO-LBPRGKRZSA-N 0 3 222.332 1.390 20 30 BDEDHN C#CCCCC(=O)NC1CCN(CCC#C)CC1 ZINC000760366616 585391524 /nfs/dbraw/zinc/39/15/24/585391524.db2.gz FAKPODFHMPPEHF-UHFFFAOYSA-N 0 3 246.354 1.394 20 30 BDEDHN C#CCCN1CCC[C@@H]1C(=O)N(CC)CC ZINC000760817766 585397898 /nfs/dbraw/zinc/39/78/98/585397898.db2.gz FSVIVUPZVNCFHR-GFCCVEGCSA-N 0 3 222.332 1.343 20 30 BDEDHN C#CCCN(C)Cc1cccc(C(N)=O)c1 ZINC000760818764 585398050 /nfs/dbraw/zinc/39/80/50/585398050.db2.gz KLWRPURBAUNJKU-UHFFFAOYSA-N 0 3 216.284 1.241 20 30 BDEDHN C#CCOCCN(C)CCOC(C)(C)C ZINC000761107061 585410029 /nfs/dbraw/zinc/41/00/29/585410029.db2.gz CUPWMRDYLHIULV-UHFFFAOYSA-N 0 3 213.321 1.383 20 30 BDEDHN C[C@H]1CC(=NNCCN2CCCCC2)CN1C ZINC000761806333 585418969 /nfs/dbraw/zinc/41/89/69/585418969.db2.gz YMRJXQLRGKLQBD-LBPRGKRZSA-N 0 3 238.379 1.142 20 30 BDEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cnn(C)c1 ZINC000761866940 585421361 /nfs/dbraw/zinc/42/13/61/585421361.db2.gz SKYCZAZMBVQIRP-VIFPVBQESA-N 0 3 233.319 1.302 20 30 BDEDHN C[C@H]1CC(N=Nc2cnn(C)c2)CCN1C ZINC000761881177 585421993 /nfs/dbraw/zinc/42/19/93/585421993.db2.gz KRPGTYFSNILFPF-VIFPVBQESA-N 0 3 221.308 1.302 20 30 BDEDHN CCCCCCCN1CC[C@H](NC(N)=O)C1 ZINC000762924983 585439794 /nfs/dbraw/zinc/43/97/94/585439794.db2.gz IXQNRRNXGVLXGN-NSHDSACASA-N 0 3 227.352 1.699 20 30 BDEDHN C=CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000763052466 585442383 /nfs/dbraw/zinc/44/23/83/585442383.db2.gz OTCOKTYLCYIBCF-JTQLQIEISA-N 0 3 210.321 1.552 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC[C@H]1CC ZINC000763896962 585456687 /nfs/dbraw/zinc/45/66/87/585456687.db2.gz WZTMTUFVMCXBOA-GFCCVEGCSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1nc(C)cs1 ZINC000764100469 585459864 /nfs/dbraw/zinc/45/98/64/585459864.db2.gz VEBZOQIOYODJEG-UHFFFAOYSA-N 0 3 239.344 1.186 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C[C@H]1CCCCO1 ZINC000764424485 585465292 /nfs/dbraw/zinc/46/52/92/585465292.db2.gz PXLMEGUEUIKMRR-GFCCVEGCSA-N 0 3 240.347 1.132 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000764587662 585468704 /nfs/dbraw/zinc/46/87/04/585468704.db2.gz QWOXNWAPKUTTQS-LLVKDONJSA-N 0 3 242.363 1.018 20 30 BDEDHN FC(F)(F)CON=C1CN2CCC1CC2 ZINC000764836138 585475372 /nfs/dbraw/zinc/47/53/72/585475372.db2.gz QNFHNXPUSLAEIC-UHFFFAOYSA-N 0 3 222.210 1.647 20 30 BDEDHN CC#CCCN(C)Cc1cccc(C(N)=O)c1 ZINC000764953418 585477922 /nfs/dbraw/zinc/47/79/22/585477922.db2.gz HBPTVPAZPYPTNU-UHFFFAOYSA-N 0 3 230.311 1.631 20 30 BDEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C)o1 ZINC000765506496 585488563 /nfs/dbraw/zinc/48/85/63/585488563.db2.gz FUINBXUFTDHWHV-NSHDSACASA-N 0 3 234.299 1.378 20 30 BDEDHN Fc1ccc(N=NC2CCN3CCC[C@@H]23)nc1 ZINC000765575049 585490069 /nfs/dbraw/zinc/49/00/69/585490069.db2.gz FOWDHZYDDAWNPL-NSHDSACASA-N 0 3 234.278 1.857 20 30 BDEDHN C#CCCCN1CCCC[C@H]1C1OCCO1 ZINC000766896575 585510021 /nfs/dbraw/zinc/51/00/21/585510021.db2.gz TWOCBQJPHQOCEB-LBPRGKRZSA-N 0 3 223.316 1.627 20 30 BDEDHN C#CCCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000766900327 585510520 /nfs/dbraw/zinc/51/05/20/585510520.db2.gz ATDQAVVZJSPGND-GFCCVEGCSA-N 0 3 220.316 1.143 20 30 BDEDHN CCN(CCO)c1ccc(C=NOC)c(C)c1 ZINC000767491639 585521336 /nfs/dbraw/zinc/52/13/36/585521336.db2.gz QHBBZFCYADKQHT-UHFFFAOYSA-N 0 3 236.315 1.794 20 30 BDEDHN C[C@@H]1C(N=NC(=N)N)C[C@H]1c1ccccc1 ZINC000767743342 585525489 /nfs/dbraw/zinc/52/54/89/585525489.db2.gz IKZBAERNJPISDB-WCBMZHEXSA-N 0 3 216.288 1.649 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@H]1[C@@H](C)CCC ZINC000767909018 585528114 /nfs/dbraw/zinc/52/81/14/585528114.db2.gz YAUAMDBRWGTMRI-STQMWFEESA-N 0 3 236.359 1.636 20 30 BDEDHN CC#CCCCC(=O)N1CCC12CCN(C)CC2 ZINC000768717609 585542440 /nfs/dbraw/zinc/54/24/40/585542440.db2.gz WKKJAAXNFIGPFA-UHFFFAOYSA-N 0 3 248.370 1.877 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769290400 585552608 /nfs/dbraw/zinc/55/26/08/585552608.db2.gz CNSQWSKXJHMIAU-VHSXEESVSA-N 0 3 234.230 1.152 20 30 BDEDHN C#CCN(CC)[C@H]1CCN(CC(F)(F)F)C1 ZINC000770509997 585575203 /nfs/dbraw/zinc/57/52/03/585575203.db2.gz URMMAZYODNXDFR-JTQLQIEISA-N 0 3 234.265 1.578 20 30 BDEDHN C#CCCCCC(=O)NCCN1CCC[C@H]1C ZINC000773886053 585645875 /nfs/dbraw/zinc/64/58/75/585645875.db2.gz DCCGYWLXJHLFCX-CYBMUJFWSA-N 0 3 236.359 1.781 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000773930162 585646342 /nfs/dbraw/zinc/64/63/42/585646342.db2.gz AJEZCDMVYQDQIU-ZDUSSCGKSA-N 0 3 236.359 1.895 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCCO1 ZINC000774365003 585657081 /nfs/dbraw/zinc/65/70/81/585657081.db2.gz VZPFTBKUJRQFSE-CRWXNKLISA-N 0 3 232.327 1.839 20 30 BDEDHN CCOCCON=C1CCN(C)[C@H](C)C1 ZINC000774416393 585658110 /nfs/dbraw/zinc/65/81/10/585658110.db2.gz GUTSXUUZZIXLHQ-SNVBAGLBSA-N 0 3 214.309 1.510 20 30 BDEDHN C#CCCCN(C)C[C@@H](O)C(F)(F)F ZINC000774772422 585665655 /nfs/dbraw/zinc/66/56/55/585665655.db2.gz PVCXVZRNYXYBAB-MRVPVSSYSA-N 0 3 209.211 1.255 20 30 BDEDHN C#CCNC(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000774844282 585667108 /nfs/dbraw/zinc/66/71/08/585667108.db2.gz YJWCNSJDJJXSQJ-GFCCVEGCSA-N 0 3 230.311 1.395 20 30 BDEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)NCCC#N ZINC000775783319 585684495 /nfs/dbraw/zinc/68/44/95/585684495.db2.gz PQGZKIQQLDVUQD-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN C#C[C@H](NCCc1ccccc1)[C@@H]1CCCO1 ZINC000775784133 585684643 /nfs/dbraw/zinc/68/46/43/585684643.db2.gz HBLYCYCFFUZFFQ-GJZGRUSLSA-N 0 3 229.323 2.000 20 30 BDEDHN C#C[C@H](N[C@H](C)Cn1cccn1)[C@H]1CCCO1 ZINC000775999753 585689267 /nfs/dbraw/zinc/68/92/67/585689267.db2.gz IBXWRWCHLSYDGO-FRRDWIJNSA-N 0 3 233.315 1.042 20 30 BDEDHN C=C(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000777960623 585724621 /nfs/dbraw/zinc/72/46/21/585724621.db2.gz JTJURYLUXBZZCK-ZDUSSCGKSA-N 0 3 249.310 1.826 20 30 BDEDHN C=C(C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000777960623 585724622 /nfs/dbraw/zinc/72/46/22/585724622.db2.gz JTJURYLUXBZZCK-ZDUSSCGKSA-N 0 3 249.310 1.826 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1C=CCCC1 ZINC000778606734 585738075 /nfs/dbraw/zinc/73/80/75/585738075.db2.gz OKRMUBSPEQROJS-VXGBXAGGSA-N 0 3 246.310 1.744 20 30 BDEDHN CC[C@@H]1C[C@H](C=NNC2=N[C@@H](C)CN2)CCO1 ZINC000779784508 585763148 /nfs/dbraw/zinc/76/31/48/585763148.db2.gz LPIZLPZLXAMVLW-HBNTYKKESA-N 0 3 238.335 1.115 20 30 BDEDHN C[C@@H]1Cc2ccccc2C1=NNC1=NC[C@H](C)N1 ZINC000779792862 585763960 /nfs/dbraw/zinc/76/39/60/585763960.db2.gz VMRXBXWMJFEENM-ZJUUUORDSA-N 0 3 242.326 1.520 20 30 BDEDHN CCCCCC(C)=NNC1=N[C@H](C)CN1 ZINC000779803798 585764990 /nfs/dbraw/zinc/76/49/90/585764990.db2.gz VRNVKDWKCXABGW-SNVBAGLBSA-N 0 3 210.325 1.880 20 30 BDEDHN c1cc(N=NC2CCN3CCC[C@@H]23)ccn1 ZINC000779809167 585765778 /nfs/dbraw/zinc/76/57/78/585765778.db2.gz FXZUHGVQIXEGCQ-LBPRGKRZSA-N 0 3 216.288 1.140 20 30 BDEDHN C#CCCN1CCC(CC(=O)N(C)C)CC1 ZINC000781346445 585794787 /nfs/dbraw/zinc/79/47/87/585794787.db2.gz JIMOCEMOIQMFNB-UHFFFAOYSA-N 0 3 222.332 1.200 20 30 BDEDHN C[C@H](CCCCO)NCc1ccc(C#N)cn1 ZINC000783294350 585833488 /nfs/dbraw/zinc/83/34/88/585833488.db2.gz OGHYGUQRXFCDPG-LLVKDONJSA-N 0 3 233.315 1.594 20 30 BDEDHN C=C[C@H]1CCCCN1CC[C@@H]1CCOC1=O ZINC000785998203 585884994 /nfs/dbraw/zinc/88/49/94/585884994.db2.gz ZDQDKBBNDSTMNZ-NEPJUHHUSA-N 0 3 223.316 1.980 20 30 BDEDHN CCN(CC)CC#C[C@@H](C)OC(=O)[C@@H]1C[C@H]1C ZINC000786458843 585891864 /nfs/dbraw/zinc/89/18/64/585891864.db2.gz KAZWJVMBJISOEP-JHJVBQTASA-N 0 3 237.343 1.919 20 30 BDEDHN CNC(=O)C(C#N)C(=O)Cc1ccsc1C ZINC000786930212 585898796 /nfs/dbraw/zinc/89/87/96/585898796.db2.gz OJFGGGZGUDRSHE-VIFPVBQESA-N 0 3 236.296 1.054 20 30 BDEDHN C[C@@H]1CC(N=Nc2nccn2C)CN1C1CC1 ZINC000790301046 585962925 /nfs/dbraw/zinc/96/29/25/585962925.db2.gz AVCNUVYMROUPOS-SECBINFHSA-N 0 3 233.319 1.445 20 30 BDEDHN Fc1cncnc1N=NC1CCN2CCC[C@H]12 ZINC000793199627 586013828 /nfs/dbraw/zinc/01/38/28/586013828.db2.gz VXDHQLHOIIBDNR-SNVBAGLBSA-N 0 3 235.266 1.252 20 30 BDEDHN CC(C)(CO)NCc1cnc2ccc(C#N)cn12 ZINC000793587551 586023659 /nfs/dbraw/zinc/02/36/59/586023659.db2.gz RPGWZRYMBJDXSJ-UHFFFAOYSA-N 0 3 244.298 1.066 20 30 BDEDHN Cn1cc(C=NNC(=N)N)c2cc(F)ccc21 ZINC000794852733 586051356 /nfs/dbraw/zinc/05/13/56/586051356.db2.gz KCOIXHGKZDAWCF-UHFFFAOYSA-N 0 3 233.250 1.134 20 30 BDEDHN N=C(N)N=NC1CCC[C@H]1c1ccccn1 ZINC000794887533 586053237 /nfs/dbraw/zinc/05/32/37/586053237.db2.gz GSGPJJNDAQAEEA-QMMMGPOBSA-N 0 3 217.276 1.188 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC)CC(C)(C)C ZINC000794912775 586054594 /nfs/dbraw/zinc/05/45/94/586054594.db2.gz VOGACIFJWMPBFE-UHFFFAOYSA-N 0 3 226.364 1.999 20 30 BDEDHN C[C@H]1CNC(NN=C2CCC[C@@H]2CCF)=N1 ZINC000794927468 586056018 /nfs/dbraw/zinc/05/60/18/586056018.db2.gz NSRQITKAHNQWQX-DTWKUNHWSA-N 0 3 226.299 1.439 20 30 BDEDHN Fc1cccnc1N=NC1CCN2CCC[C@H]12 ZINC000794981603 586061257 /nfs/dbraw/zinc/06/12/57/586061257.db2.gz YVBGAPIBKJXNPI-LLVKDONJSA-N 0 3 234.278 1.857 20 30 BDEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(N)=O ZINC000795328407 586074964 /nfs/dbraw/zinc/07/49/64/586074964.db2.gz GSKKPKNODTXHCO-YPMHNXCESA-N 0 3 230.311 1.084 20 30 BDEDHN C#CCCCN1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000796559263 586106624 /nfs/dbraw/zinc/10/66/24/586106624.db2.gz SDROHPNFUKSPLX-UONOGXRCSA-N 0 3 237.343 1.670 20 30 BDEDHN C#CCCCN(CCO)Cc1ccc(C)o1 ZINC000796559623 586106677 /nfs/dbraw/zinc/10/66/77/586106677.db2.gz UPCLBJVZFLIFDN-UHFFFAOYSA-N 0 3 221.300 1.796 20 30 BDEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1ccncn1 ZINC000796845423 586114613 /nfs/dbraw/zinc/11/46/13/586114613.db2.gz IXRDTVAEOIAIAO-OPQQBVKSSA-N 0 3 247.298 1.714 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1(C(C)C)CC1 ZINC000798299090 586142283 /nfs/dbraw/zinc/14/22/83/586142283.db2.gz NKTURZCCSICHOH-UHFFFAOYSA-N 0 3 224.348 1.657 20 30 BDEDHN C=CC[C@@H](CC)NC(=S)NCCN(C)C ZINC000798376569 586143275 /nfs/dbraw/zinc/14/32/75/586143275.db2.gz WFEWFFIZSFWHGE-SNVBAGLBSA-N 0 3 229.393 1.367 20 30 BDEDHN C#CCCCC(=O)NC1(CN(C)C)CCC1 ZINC000798578020 586145571 /nfs/dbraw/zinc/14/55/71/586145571.db2.gz XLGJOVALQJBXEA-UHFFFAOYSA-N 0 3 222.332 1.390 20 30 BDEDHN C#C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)C ZINC000799042153 586155048 /nfs/dbraw/zinc/15/50/48/586155048.db2.gz PGAOVKMSLABUET-NSHDSACASA-N 0 3 222.332 1.245 20 30 BDEDHN C#C[C@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000859335847 589032687 /nfs/dbraw/zinc/03/26/87/589032687.db2.gz HPSHCTYXDOCCIX-QWHCGFSZSA-N 0 3 232.327 1.386 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](CCO)Cc1ccccc1 ZINC000799800261 586196827 /nfs/dbraw/zinc/19/68/27/586196827.db2.gz MRMMQKGPNWUKAX-AAEUAGOBSA-N 0 3 246.310 1.256 20 30 BDEDHN C=CCN(CCN1CCO[C@@H](C)C1)C(C)C ZINC000800335557 586212314 /nfs/dbraw/zinc/21/23/14/586212314.db2.gz OIYFGIYRQRONCZ-ZDUSSCGKSA-N 0 3 226.364 1.604 20 30 BDEDHN C#CCCN1CCN([C@@H](C)CCC)CC1 ZINC000800366802 586213736 /nfs/dbraw/zinc/21/37/36/586213736.db2.gz JOEGWXOXNSKVEA-ZDUSSCGKSA-N 0 3 208.349 1.816 20 30 BDEDHN C#CCCN1CCN([C@H](C)CCC)CC1 ZINC000800366801 586214287 /nfs/dbraw/zinc/21/42/87/586214287.db2.gz JOEGWXOXNSKVEA-CYBMUJFWSA-N 0 3 208.349 1.816 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC12CCOCC2)[C@@H]1CCCO1 ZINC000800489868 586222923 /nfs/dbraw/zinc/22/29/23/586222923.db2.gz DUYBDFVSLXNGBT-MELADBBJSA-N 0 3 249.354 1.716 20 30 BDEDHN CC[C@H](C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000801875156 586275795 /nfs/dbraw/zinc/27/57/95/586275795.db2.gz PFCMJJBSQULJPY-GFCCVEGCSA-N 0 3 236.315 1.706 20 30 BDEDHN Cc1ccccc1[C@@H](CO)NCCO[C@@H](C)C#N ZINC000801939646 586280482 /nfs/dbraw/zinc/28/04/82/586280482.db2.gz UTFMAQCUVQXVOW-GXTWGEPZSA-N 0 3 248.326 1.547 20 30 BDEDHN CC1=C[C@H](C)CN(CCO[C@H](C)C#N)C1 ZINC000801952613 586282440 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/nfs/dbraw/zinc/45/76/13/586457613.db2.gz ZNUAKAXEHQMGQH-ONGXEEELSA-N 0 3 227.377 1.552 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000811536993 586560893 /nfs/dbraw/zinc/56/08/93/586560893.db2.gz KQJRKJLZYZYIIS-FOGDFJRCSA-N 0 3 232.283 1.384 20 30 BDEDHN C=C(CC)CN1CCC(C(=O)N(C)OC)CC1 ZINC000812873073 586588123 /nfs/dbraw/zinc/58/81/23/586588123.db2.gz OKVOPKWTCRVJOU-UHFFFAOYSA-N 0 3 240.347 1.684 20 30 BDEDHN C=CCCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813104159 586592168 /nfs/dbraw/zinc/59/21/68/586592168.db2.gz XFHABQYMJOGAOQ-IUCAKERBSA-N 0 3 231.248 1.176 20 30 BDEDHN C=C[C@](C)(CCOC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114948 586594190 /nfs/dbraw/zinc/59/41/90/586594190.db2.gz YITAYOYTIFZYER-GXSJLCMTSA-N 0 3 245.275 1.424 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H]1CCCSC1 ZINC000813714496 586605856 /nfs/dbraw/zinc/60/58/56/586605856.db2.gz INFMGIILXPUVSD-NSHDSACASA-N 0 3 242.388 1.364 20 30 BDEDHN N=C(N)N=NC1CC[C@H](Cc2ccccc2)C1 ZINC000814796587 586634450 /nfs/dbraw/zinc/63/44/50/586634450.db2.gz GUSGXFGVPSTMIA-LLVKDONJSA-N 0 3 230.315 1.868 20 30 BDEDHN CC1(C)CC(=NNC(=N)N)c2cc(O)ccc2O1 ZINC000814796731 586634664 /nfs/dbraw/zinc/63/46/64/586634664.db2.gz NJDSWMLDRRIWTK-UHFFFAOYSA-N 0 3 248.286 1.140 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1nccs1 ZINC000814885539 586643109 /nfs/dbraw/zinc/64/31/09/586643109.db2.gz CRIBVNJTBRBOJD-IUCAKERBSA-N 0 3 249.343 1.337 20 30 BDEDHN C[C@@H]1CNC(NN=C2CC[C@@H]2C2CCC2)=N1 ZINC000814898883 586645626 /nfs/dbraw/zinc/64/56/26/586645626.db2.gz XLKBEZRVOKKZBJ-PSASIEDQSA-N 0 3 220.320 1.490 20 30 BDEDHN N#CCCOCCN1CC[C@H](c2ccccn2)C1 ZINC000815107273 586667359 /nfs/dbraw/zinc/66/73/59/586667359.db2.gz IKHAWMOFXNIBES-ZDUSSCGKSA-N 0 3 245.326 1.801 20 30 BDEDHN N#CCCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819220436 586940008 /nfs/dbraw/zinc/94/00/08/586940008.db2.gz ACOWTMIBEFQTNM-LBPRGKRZSA-N 0 3 249.270 1.522 20 30 BDEDHN N#CCC1(CNC[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819280337 586947515 /nfs/dbraw/zinc/94/75/15/586947515.db2.gz CDTMUYNMWTWCLK-GFCCVEGCSA-N 0 3 249.289 1.538 20 30 BDEDHN C#Cc1ccc(CNC[C@@H](O)CCOCC)cc1 ZINC000819340442 586954550 /nfs/dbraw/zinc/95/45/50/586954550.db2.gz YVKVHWAIUCYOIX-HNNXBMFYSA-N 0 3 247.338 1.545 20 30 BDEDHN C=C(Cl)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860126646 589081159 /nfs/dbraw/zinc/08/11/59/589081159.db2.gz JZRYBPSCUCGBJD-IVZWLZJFSA-N 0 3 201.697 1.584 20 30 BDEDHN C#C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000820427019 587048253 /nfs/dbraw/zinc/04/82/53/587048253.db2.gz DKVOCZRJTKNIAA-SDDRHHMPSA-N 0 3 237.347 1.132 20 30 BDEDHN C#C[C@H](CCC)NC(=O)NCC1=CCN(C)CC1 ZINC000820647598 587061736 /nfs/dbraw/zinc/06/17/36/587061736.db2.gz SWHSOFFXRYJPMH-CYBMUJFWSA-N 0 3 249.358 1.349 20 30 BDEDHN C#C[C@H](CCC)NC(=O)NC(C)(C)CN(C)C ZINC000820666979 587064853 /nfs/dbraw/zinc/06/48/53/587064853.db2.gz PWJQLZNRBYCVGK-LLVKDONJSA-N 0 3 239.363 1.428 20 30 BDEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC(=O)O1 ZINC000821343505 587109597 /nfs/dbraw/zinc/10/95/97/587109597.db2.gz XVJUHPZUEYLHBT-ZDUSSCGKSA-N 0 3 244.294 1.696 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000821567917 587129271 /nfs/dbraw/zinc/12/92/71/587129271.db2.gz ZNBYCOGUAQBVSY-XQQFMLRXSA-N 0 3 249.358 1.276 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](C/C=C\C)C1 ZINC000860180761 589088167 /nfs/dbraw/zinc/08/81/67/589088167.db2.gz ZXTZTPOFTQWVAZ-WFVZMWEJSA-N 0 3 248.370 1.803 20 30 BDEDHN C[C@@H]1CCN(CC(=O)NCCC#N)[C@H](C)C1 ZINC000823515839 587228376 /nfs/dbraw/zinc/22/83/76/587228376.db2.gz QPTBRXGEGZQYHC-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN CC(C#N)C(=O)NCc1ccnc(Cl)c1 ZINC000823639249 587233933 /nfs/dbraw/zinc/23/39/33/587233933.db2.gz MSTRFDOSKIWHNU-ZETCQYMHSA-N 0 3 223.663 1.511 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1nccc(C)n1 ZINC000823704807 587237305 /nfs/dbraw/zinc/23/73/05/587237305.db2.gz NYVNJIMQXLIJER-NSHDSACASA-N 0 3 248.330 1.080 20 30 BDEDHN CCCCCCCCCN1C[C@H](O)[C@@H](O)C1 ZINC000117337758 589091578 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/nfs/dbraw/zinc/35/80/99/587358099.db2.gz IPTMCVKCNSJIBR-UHFFFAOYSA-N 0 3 246.301 1.798 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827155870 587371706 /nfs/dbraw/zinc/37/17/06/587371706.db2.gz UFQKDRNYTRCJBZ-BBBLOLIVSA-N 0 3 224.329 1.358 20 30 BDEDHN C#C[C@@H](NCc1c(C)cnn1C)C1CCOCC1 ZINC000827559724 587388192 /nfs/dbraw/zinc/38/81/92/587388192.db2.gz IOWKLYVVAKGAMM-CYBMUJFWSA-N 0 3 247.342 1.247 20 30 BDEDHN C#C[C@H](NCc1c[nH]nc1C)C1CCOCC1 ZINC000827569469 587388808 /nfs/dbraw/zinc/38/88/08/587388808.db2.gz BKLCKFYKBQXGKI-ZDUSSCGKSA-N 0 3 233.315 1.236 20 30 BDEDHN C#C[C@@H](NCc1cccnc1C)C1CCOCC1 ZINC000827570069 587389262 /nfs/dbraw/zinc/38/92/62/587389262.db2.gz IEXZEIBSCYWNLR-OAHLLOKOSA-N 0 3 244.338 1.908 20 30 BDEDHN C#Cc1cnc(N[C@@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000827679491 587395933 /nfs/dbraw/zinc/39/59/33/587395933.db2.gz MBKRMWUUQYKXDC-CMPLNLGQSA-N 0 3 230.315 1.353 20 30 BDEDHN C#Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)nc1 ZINC000827708438 587397813 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ZINC000862951798 589248789 /nfs/dbraw/zinc/24/87/89/589248789.db2.gz LFWOSCZTOXYKBE-LLVKDONJSA-N 0 3 247.342 1.419 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000863001456 589251333 /nfs/dbraw/zinc/25/13/33/589251333.db2.gz GQCSHCJTWTXHTM-USZNOCQGSA-N 0 3 240.347 1.032 20 30 BDEDHN C(=Nn1cnnc1)[C@H]1CCc2ccccc2C1 ZINC000863063523 589253624 /nfs/dbraw/zinc/25/36/24/589253624.db2.gz SXJHYOGIHWFPAY-NSHDSACASA-N 0 3 226.283 1.917 20 30 BDEDHN CCC(=NN[C@H](C)CO)c1ccc(N)cc1 ZINC000863100779 589255974 /nfs/dbraw/zinc/25/59/74/589255974.db2.gz YUQLVBAMYPMRQK-SECBINFHSA-N 0 3 221.304 1.353 20 30 BDEDHN COCCCON=C1CCN(C)C(C)(C)C1 ZINC000863113889 589258540 /nfs/dbraw/zinc/25/85/40/589258540.db2.gz UQPLBLOBNPZHBP-UHFFFAOYSA-N 0 3 228.336 1.900 20 30 BDEDHN Cc1cc(NN=Cc2cn(C(C)C)nn2)ccn1 ZINC000863159232 589264061 /nfs/dbraw/zinc/26/40/61/589264061.db2.gz IOJQKSRHKXHSAW-UHFFFAOYSA-N 0 3 244.302 1.430 20 30 BDEDHN CCn1ccnc1C=NNc1ccnc(C)c1 ZINC000863159403 589264330 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590324796 /nfs/dbraw/zinc/32/47/96/590324796.db2.gz KZINSYAFKMNSHG-PQAZSJQKSA-N 0 3 245.326 1.357 20 30 BDEDHN C#CCCCCCCN1CC[C@@](F)(CO)C1 ZINC000877503844 590342862 /nfs/dbraw/zinc/34/28/62/590342862.db2.gz BQBMYNVCXHYDSQ-ZDUSSCGKSA-N 0 3 227.323 1.976 20 30 BDEDHN C#C[C@@H](CC)NCc1ccc(C(=O)OC)n1C ZINC000877513283 590343490 /nfs/dbraw/zinc/34/34/90/590343490.db2.gz QKMWKWDMQNJMHQ-JTQLQIEISA-N 0 3 234.299 1.313 20 30 BDEDHN C#C[C@@H](CC)NCc1cc(C(=O)OC)c(C)[nH]1 ZINC000877512844 590343691 /nfs/dbraw/zinc/34/36/91/590343691.db2.gz DAMGAXXZJBKAQG-JTQLQIEISA-N 0 3 234.299 1.611 20 30 BDEDHN C#C[C@H](C)NCc1cnc2c(cnn2C)c1 ZINC000877513520 590344842 /nfs/dbraw/zinc/34/48/42/590344842.db2.gz AMCVJKISNNNTBC-VIFPVBQESA-N 0 3 214.272 1.080 20 30 BDEDHN C[C@H](CO)N(C)Cc1cc(C#N)ccc1N(C)C ZINC000877526497 590347997 /nfs/dbraw/zinc/34/79/97/590347997.db2.gz JMRNKRMAUYSJNY-LLVKDONJSA-N 0 3 247.342 1.437 20 30 BDEDHN C=CCC[C@H](CO)NCc1ccc(Cl)nn1 ZINC000877575081 590363020 /nfs/dbraw/zinc/36/30/20/590363020.db2.gz GDHDERBUOYOKJH-SNVBAGLBSA-N 0 3 241.722 1.547 20 30 BDEDHN C#CCCCCCCN1CC(C(=O)NCC)C1 ZINC000877580155 590364665 /nfs/dbraw/zinc/36/46/65/590364665.db2.gz FWCAPRGTRWSNBF-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN C#CCCCCCCN1CCN(C)C[C@H]1CO ZINC000877643142 590383072 /nfs/dbraw/zinc/38/30/72/590383072.db2.gz AVAOFQXFVAVMMC-AWEZNQCLSA-N 0 3 238.375 1.178 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccns1 ZINC000877660753 590384793 /nfs/dbraw/zinc/38/47/93/590384793.db2.gz QKTJKRWDAJCHIU-SNVBAGLBSA-N 0 3 224.329 1.661 20 30 BDEDHN C=CC[C@@H](C)N(C)CC(=O)NCc1ccco1 ZINC000877937555 590453124 /nfs/dbraw/zinc/45/31/24/590453124.db2.gz OAQQIDFKUVDTCI-LLVKDONJSA-N 0 3 236.315 1.792 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000878133887 590504047 /nfs/dbraw/zinc/50/40/47/590504047.db2.gz OXCWCXAKWSNLDJ-AXFHLTTASA-N 0 3 223.316 1.692 20 30 BDEDHN C#CCN(CC)C[C@H]1CC2(CCC2)CO1 ZINC000878166810 590514585 /nfs/dbraw/zinc/51/45/85/590514585.db2.gz 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SNUSGGUBBJYVSC-NWDGAFQWSA-N 0 3 227.348 1.549 20 30 BDEDHN C=C/C=C/CCN(C)[C@@H]1CCN(CC=C)C1=O ZINC000878550090 590590862 /nfs/dbraw/zinc/59/08/62/590590862.db2.gz PIFOTCYUAPRNPB-KTRBRXNASA-N 0 3 234.343 1.837 20 30 BDEDHN C#CCCCCCN(C)[C@H]1CCN(CC=C)C1=O ZINC000878549523 590590972 /nfs/dbraw/zinc/59/09/72/590590972.db2.gz HCXYRXSKCNHCFJ-AWEZNQCLSA-N 0 3 248.370 1.899 20 30 BDEDHN CC#CCN(C)C[C@H](O)CC1(O)CCCCC1 ZINC000878655924 590603291 /nfs/dbraw/zinc/60/32/91/590603291.db2.gz DAALHLDDEBKWFN-CYBMUJFWSA-N 0 3 239.359 1.388 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N(C)C[C@@H]1CCCN1C ZINC000878723368 590616615 /nfs/dbraw/zinc/61/66/15/590616615.db2.gz PFTQJCOCSFSSSW-RYUDHWBXSA-N 0 3 240.347 1.130 20 30 BDEDHN C#CCN(C[C@@H]1CCOC1)C1CSC1 ZINC000878909819 590647420 /nfs/dbraw/zinc/64/74/20/590647420.db2.gz KPJNOUWFNRKNGR-JTQLQIEISA-N 0 3 211.330 1.074 20 30 BDEDHN C=C[C@H](CO)NC[C@H]1CC2(CCC2)CO1 ZINC000878994966 590672843 /nfs/dbraw/zinc/67/28/43/590672843.db2.gz HBBCQYQSWJLZFE-GHMZBOCLSA-N 0 3 211.305 1.082 20 30 BDEDHN CCC#C[C@H](C)N1CCC([C@@H](C)O)CC1 ZINC000879459827 590774491 /nfs/dbraw/zinc/77/44/91/590774491.db2.gz IBSOOZLEIMYLCA-NWDGAFQWSA-N 0 3 209.333 1.881 20 30 BDEDHN N#CCCCN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879488258 590780742 /nfs/dbraw/zinc/78/07/42/590780742.db2.gz QDEAPNRDCFRRLC-LBPRGKRZSA-N 0 3 235.331 1.266 20 30 BDEDHN CC#CCN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879523872 590787585 /nfs/dbraw/zinc/78/75/85/590787585.db2.gz GYPGQPDPIVPKTL-HNNXBMFYSA-N 0 3 244.338 1.665 20 30 BDEDHN CC#CCN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879522191 590788447 /nfs/dbraw/zinc/78/84/47/590788447.db2.gz UZZIPEDCQPXKMY-HNNXBMFYSA-N 0 3 244.338 1.665 20 30 BDEDHN C[C@@H](C#N)OCCN1C[C@H](O)CC(C)(C)C1 ZINC000879624309 590837620 /nfs/dbraw/zinc/83/76/20/590837620.db2.gz QKLNEXXHCJDICM-WDEREUQCSA-N 0 3 226.320 1.008 20 30 BDEDHN C[C@H](C#N)OCCN[C@H]1CCCn2nccc21 ZINC000879787415 590870321 /nfs/dbraw/zinc/87/03/21/590870321.db2.gz HUKCQHQQTNJCIW-MNOVXSKESA-N 0 3 234.303 1.236 20 30 BDEDHN C=CCN1CC[C@@H](N2CC[C@@H](CF)C2)C1=O ZINC000880298523 590990835 /nfs/dbraw/zinc/99/08/35/590990835.db2.gz CTENONNHHOPCIG-WDEREUQCSA-N 0 3 226.295 1.065 20 30 BDEDHN CSC(C)(C)CNC(=O)C(C)C#N ZINC000128333703 590998548 /nfs/dbraw/zinc/99/85/48/590998548.db2.gz MJPOKOATYGNOQE-ZETCQYMHSA-N 0 3 200.307 1.404 20 30 BDEDHN C#CCC1(O)CCN(CC(=C)CC)CC1 ZINC000880481265 591055490 /nfs/dbraw/zinc/05/54/90/591055490.db2.gz PYEAYNMGIWYUCM-UHFFFAOYSA-N 0 3 207.317 1.803 20 30 BDEDHN CC(C#N)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880612903 591111490 /nfs/dbraw/zinc/11/14/90/591111490.db2.gz LQPMTMURDMWYNX-QWRGUYRKSA-N 0 3 237.347 1.335 20 30 BDEDHN C[C@@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000881340794 591194618 /nfs/dbraw/zinc/19/46/18/591194618.db2.gz RHIAFBHBQSASKB-ZJUUUORDSA-N 0 3 241.298 1.779 20 30 BDEDHN C=C(Br)Cn1cc([C@H](N)CC)nn1 ZINC000881428731 591199995 /nfs/dbraw/zinc/19/99/95/591199995.db2.gz ZDKHUQOHFQKSQC-SSDOTTSWSA-N 0 3 245.124 1.597 20 30 BDEDHN C=CC[C@@H](SCCN(C)C)C(=O)OC 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/nfs/dbraw/zinc/54/34/28/591543428.db2.gz GEVCZLKGFXPLNJ-ZDUSSCGKSA-N 0 3 232.327 1.226 20 30 BDEDHN C#CC[C@H](CO)NCc1cc(C)oc1C ZINC000883124681 591544663 /nfs/dbraw/zinc/54/46/63/591544663.db2.gz MRVLKDVGEUFKNF-GFCCVEGCSA-N 0 3 207.273 1.370 20 30 BDEDHN C#CC[C@@H](CO)NCc1c(C2CCC2)cnn1C ZINC000883125431 591544714 /nfs/dbraw/zinc/54/47/14/591544714.db2.gz JBAXYTBLDXNNDB-LBPRGKRZSA-N 0 3 247.342 1.161 20 30 BDEDHN C#CC[C@H](CO)NCc1cc2ccc(C)cc2[nH]1 ZINC000883125395 591544892 /nfs/dbraw/zinc/54/48/92/591544892.db2.gz HZNGXKGAEWPPCU-CYBMUJFWSA-N 0 3 242.322 1.950 20 30 BDEDHN CC#CC[C@@H](CO)NCc1ccc(F)nc1 ZINC000883157108 591556095 /nfs/dbraw/zinc/55/60/95/591556095.db2.gz MYSYSMRVRQSWDG-NSHDSACASA-N 0 3 222.263 1.085 20 30 BDEDHN C#CC1(NCc2cnn(C)c2)CCCC1 ZINC000883363050 591629199 /nfs/dbraw/zinc/62/91/99/591629199.db2.gz UUVPBWPVWOQGEH-UHFFFAOYSA-N 0 3 203.289 1.456 20 30 BDEDHN C#CC1(NCc2c[nH]nc2C)CCCC1 ZINC000883362674 591631276 /nfs/dbraw/zinc/63/12/76/591631276.db2.gz 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228.361 1.292 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](CF)C1 ZINC001358043750 983818272 /nfs/dbraw/zinc/81/82/72/983818272.db2.gz NYNZJDNYEAFXED-MNOVXSKESA-N 0 3 228.311 1.488 20 30 BDEDHN C=C[C@@](C)(O)CNCC(=O)Nc1ccccc1 ZINC001252573506 983829963 /nfs/dbraw/zinc/82/99/63/983829963.db2.gz BPTUPLYQRYDBLS-CYBMUJFWSA-N 0 3 234.299 1.152 20 30 BDEDHN C=CCC[C@H](O)CN1CCOC[C@H]1C(C)C ZINC001252603432 983843701 /nfs/dbraw/zinc/84/37/01/983843701.db2.gz VKWSLYAWFWCCDL-STQMWFEESA-N 0 3 227.348 1.670 20 30 BDEDHN Cc1ccc(C#N)cc1-c1cc(CN)ncn1 ZINC001242539187 983855894 /nfs/dbraw/zinc/85/58/94/983855894.db2.gz QHHFBEMKKWQUBO-UHFFFAOYSA-N 0 3 224.267 1.782 20 30 BDEDHN C=CCN1CCC[C@H]1CNC(=O)NC(C)C ZINC001202534219 983887789 /nfs/dbraw/zinc/88/77/89/983887789.db2.gz PUNAQKFZTLWQMO-NSHDSACASA-N 0 3 225.336 1.344 20 30 BDEDHN C=CC[C@H](C)N1CCN(Cc2ccnn2C)CC1 ZINC001473891997 983895513 /nfs/dbraw/zinc/89/55/13/983895513.db2.gz PPIJUJGLXCQDTM-ZDUSSCGKSA-N 0 3 248.374 1.502 20 30 BDEDHN 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387858468 /nfs/dbraw/zinc/85/84/68/387858468.db2.gz GOGPGAAHRSCGIO-SDDRHHMPSA-N 0 3 237.347 1.525 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc[nH]1 ZINC000424169458 387864352 /nfs/dbraw/zinc/86/43/52/387864352.db2.gz HSLWGWRZIONXLC-UWVGGRQHSA-N 0 3 207.277 1.090 20 30 BDEDHN C=CCn1cc(CN[C@H](C)[C@H]2CC2(C)C)nn1 ZINC000424173792 387872826 /nfs/dbraw/zinc/87/28/26/387872826.db2.gz QDDYIEYDAIQNLL-ZYHUDNBSSA-N 0 3 234.347 1.988 20 30 BDEDHN CN(CCC1CC1)C(=O)[C@H](N)CCCC#N ZINC000424175080 387878832 /nfs/dbraw/zinc/87/88/32/387878832.db2.gz PEBFPGMWSOVGLF-LLVKDONJSA-N 0 3 223.320 1.266 20 30 BDEDHN C=CCN(C[C@H](O)CCOCC)C1CC1 ZINC000444685694 387907686 /nfs/dbraw/zinc/90/76/86/387907686.db2.gz PFWMAIVMQIVBKH-GFCCVEGCSA-N 0 3 213.321 1.424 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](N)CC(C)C ZINC000424212501 387930663 /nfs/dbraw/zinc/93/06/63/387930663.db2.gz PMGMCIRNLBWMOL-SRVKXCTJSA-N 0 3 240.347 1.067 20 30 BDEDHN CC(C)[C@H]1C[C@@H](CNC(=O)C(C)C#N)CCO1 ZINC000452851208 387931263 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240.391 1.730 20 30 BDEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NCC#N ZINC000246097213 388438377 /nfs/dbraw/zinc/43/83/77/388438377.db2.gz AWHDBSRECXZGSN-GRYCIOLGSA-N 0 3 235.331 1.279 20 30 BDEDHN CCN(CCC#N)C(=O)CN(C)CCC1CC1 ZINC000135285703 388489275 /nfs/dbraw/zinc/48/92/75/388489275.db2.gz BGZVKRDRSLXZJS-UHFFFAOYSA-N 0 3 237.347 1.480 20 30 BDEDHN CO[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343537319 388501613 /nfs/dbraw/zinc/50/16/13/388501613.db2.gz MCWNKRJLWILDRK-CQSZACIVSA-N 0 3 230.311 1.973 20 30 BDEDHN CO[C@]1(CNCc2ccc(C#N)cc2)CCOC1 ZINC000122933851 388590913 /nfs/dbraw/zinc/59/09/13/388590913.db2.gz MAXKYOAQNIPLDL-AWEZNQCLSA-N 0 3 246.310 1.453 20 30 BDEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)o1 ZINC000304318420 388591107 /nfs/dbraw/zinc/59/11/07/388591107.db2.gz LVVCNRRUSHNJLB-CHWSQXEVSA-N 0 3 234.299 1.792 20 30 BDEDHN C=C[C@H](O)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000646816066 388552363 /nfs/dbraw/zinc/55/23/63/388552363.db2.gz GOTJHOPHSSPBOC-ZDUSSCGKSA-N 0 3 248.326 1.542 20 30 BDEDHN 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/nfs/dbraw/zinc/84/02/67/584840267.db2.gz CNIYQLBIMVNZFO-JTQLQIEISA-N 0 3 221.304 1.682 20 30 BDEDHN CCCCCCCN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000769942297 584973831 /nfs/dbraw/zinc/97/38/31/584973831.db2.gz HNBHNMFNGCKWIO-KBPBESRZSA-N 0 3 240.391 1.972 20 30 BDEDHN CCCON=C1CCN(CCC(=O)OC)CC1 ZINC000842552893 584990671 /nfs/dbraw/zinc/99/06/71/584990671.db2.gz GKLKDNXFRHTQDT-UHFFFAOYSA-N 0 3 242.319 1.428 20 30 BDEDHN CN1CCC2(CCN2C(=O)C2(C#N)CCC2)CC1 ZINC000889224232 585002261 /nfs/dbraw/zinc/00/22/61/585002261.db2.gz CACNFDUZSJQFMF-UHFFFAOYSA-N 0 3 247.342 1.377 20 30 BDEDHN Cc1ccc([C@@H](O)CNC(=O)C(C)C#N)cc1 ZINC000736668761 585008974 /nfs/dbraw/zinc/00/89/74/585008974.db2.gz FRWCDQKXXNAXIP-PWSUYJOCSA-N 0 3 232.283 1.304 20 30 BDEDHN Cc1ccc([C@H](O)CNC(=O)C(C)C#N)cc1 ZINC000736668759 585009065 /nfs/dbraw/zinc/00/90/65/585009065.db2.gz FRWCDQKXXNAXIP-CMPLNLGQSA-N 0 3 232.283 1.304 20 30 BDEDHN CC(C#N)C(=O)N(C)CCc1ccccc1F ZINC000736679406 585009505 /nfs/dbraw/zinc/00/95/05/585009505.db2.gz CSOSKXOLJMGFSG-JTQLQIEISA-N 0 3 234.274 1.986 20 30 BDEDHN COc1cccc([C@H](O)CNC(=O)C(C)C#N)c1 ZINC000736679346 585009638 /nfs/dbraw/zinc/00/96/38/585009638.db2.gz BOHZHGRQKNYWRI-BXKDBHETSA-N 0 3 248.282 1.004 20 30 BDEDHN C#CCCN1CCC(NC(=O)CC)CC1 ZINC000740736142 585106055 /nfs/dbraw/zinc/10/60/55/585106055.db2.gz GBYBISQSNOWDNA-UHFFFAOYSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CC[C@@H]1CCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000886365998 585134679 /nfs/dbraw/zinc/13/46/79/585134679.db2.gz UXFZZZSFBBWSIZ-OCCSQVGLSA-N 0 3 246.354 1.485 20 30 BDEDHN CCO[C@@H]1CC(N=NC(=N)N)C12CCCC2 ZINC000743417452 585136371 /nfs/dbraw/zinc/13/63/71/585136371.db2.gz JHYHUMDIRTXRTF-SECBINFHSA-N 0 3 224.308 1.195 20 30 BDEDHN CCN(CCc1ccccn1)C(=O)C(C)C#N ZINC000743541214 585138018 /nfs/dbraw/zinc/13/80/18/585138018.db2.gz HPYAKVWMNQFTIH-LLVKDONJSA-N 0 3 231.299 1.632 20 30 BDEDHN C#CCCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000743693319 585138654 /nfs/dbraw/zinc/13/86/54/585138654.db2.gz QEPXWUXBBGHRJV-ZDUSSCGKSA-N 0 3 249.358 1.183 20 30 BDEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCCC#N ZINC000743853709 585141473 /nfs/dbraw/zinc/14/14/73/585141473.db2.gz CSRVBPGPOHAPLX-UPJWGTAASA-N 0 3 249.358 1.669 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H](C)[C@H]1CCC ZINC000744414401 585149839 /nfs/dbraw/zinc/14/98/39/585149839.db2.gz FTSWYPSIHUUCAG-CHWSQXEVSA-N 0 3 236.359 1.636 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000746711225 585172219 /nfs/dbraw/zinc/17/22/19/585172219.db2.gz DVSNSFJXNMMRPZ-GZMMTYOYSA-N 0 3 236.246 1.135 20 30 BDEDHN C=CCCON=C(N)c1ccc(CN(C)C)cc1 ZINC000747838907 585185124 /nfs/dbraw/zinc/18/51/24/585185124.db2.gz RAKYZVUHQKXLML-UHFFFAOYSA-N 0 3 247.342 1.961 20 30 BDEDHN C#CCCN1CCC(NC(=O)N2CCCC2)CC1 ZINC000751148592 585224825 /nfs/dbraw/zinc/22/48/25/585224825.db2.gz XVOUSZKQMMWAKI-UHFFFAOYSA-N 0 3 249.358 1.280 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000753146965 585254341 /nfs/dbraw/zinc/25/43/41/585254341.db2.gz ALSFRSQPHPJLPZ-CHWSQXEVSA-N 0 3 249.358 1.182 20 30 BDEDHN C=C(Cl)CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000839531696 585261425 /nfs/dbraw/zinc/26/14/25/585261425.db2.gz NJUAEIHHXBWYEY-NXEZZACHSA-N 0 3 234.796 1.716 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cncs1 ZINC000753934040 585272075 /nfs/dbraw/zinc/27/20/75/585272075.db2.gz FOYMQXFFDMEZRH-NXEZZACHSA-N 0 3 249.343 1.337 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cncs1 ZINC000753934042 585272088 /nfs/dbraw/zinc/27/20/88/585272088.db2.gz FOYMQXFFDMEZRH-UWVGGRQHSA-N 0 3 249.343 1.337 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000753937638 585272401 /nfs/dbraw/zinc/27/24/01/585272401.db2.gz FENWKZCEZQQUFK-TXEJJXNPSA-N 0 3 243.314 1.276 20 30 BDEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000754186011 585279847 /nfs/dbraw/zinc/27/98/47/585279847.db2.gz XBCKLXLCOKDKOV-OLZOCXBDSA-N 0 3 244.338 1.518 20 30 BDEDHN N#CCCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000754250482 585281124 /nfs/dbraw/zinc/28/11/24/585281124.db2.gz IEEDPKXMNOMCCC-LBPRGKRZSA-N 0 3 249.270 1.522 20 30 BDEDHN C=C(Cl)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000839613977 585332399 /nfs/dbraw/zinc/33/23/99/585332399.db2.gz NKNUYXWBDJSPRZ-RYUDHWBXSA-N 0 3 245.750 1.649 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)o1 ZINC000757910051 585346548 /nfs/dbraw/zinc/34/65/48/585346548.db2.gz KJTOEJXDPQADMA-VXGBXAGGSA-N 0 3 247.298 1.285 20 30 BDEDHN C#CCNC(=S)Nc1ccc(CN(C)C)cc1 ZINC000758194205 585351552 /nfs/dbraw/zinc/35/15/52/585351552.db2.gz USZOWGLHERDWHD-UHFFFAOYSA-N 0 3 247.367 1.668 20 30 BDEDHN CCCCCCCN(C)[C@@H]1CCNC1=O ZINC000759425883 585372986 /nfs/dbraw/zinc/37/29/86/585372986.db2.gz XPNBOUMMBDCJFO-LLVKDONJSA-N 0 3 212.337 1.777 20 30 BDEDHN C#CCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000760306596 585389911 /nfs/dbraw/zinc/38/99/11/585389911.db2.gz FPOOLUCEXSKVOB-ZDUSSCGKSA-N 0 3 234.343 1.390 20 30 BDEDHN N=C(N)NN=C1CCCc2ccc(Cl)cc21 ZINC000761255696 585412913 /nfs/dbraw/zinc/41/29/13/585412913.db2.gz WHXUYTHLHPMBRG-UHFFFAOYSA-N 0 3 236.706 1.863 20 30 BDEDHN CC(C)N1CC(N=Nc2cnn(C)c2)[C@@H](C)C1 ZINC000761885345 585422407 /nfs/dbraw/zinc/42/24/07/585422407.db2.gz RLIBNMYXPIEPKL-JTQLQIEISA-N 0 3 235.335 1.548 20 30 BDEDHN C#CCCCCNC(=O)C1(N(C)C)CCC1 ZINC000763076694 585443020 /nfs/dbraw/zinc/44/30/20/585443020.db2.gz XUDUKJLEGXCPFA-UHFFFAOYSA-N 0 3 222.332 1.390 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCc1cccs1 ZINC000763941040 585457313 /nfs/dbraw/zinc/45/73/13/585457313.db2.gz GWKDXWQZWXDAHX-UHFFFAOYSA-N 0 3 238.356 1.525 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ncc(C)s1 ZINC000764366338 585463871 /nfs/dbraw/zinc/46/38/71/585463871.db2.gz DDTQSJQQWMVAQP-UHFFFAOYSA-N 0 3 225.317 1.508 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCS[C@H](C)C1 ZINC000764497560 585466816 /nfs/dbraw/zinc/46/68/16/585466816.db2.gz ADFVQMFQGFPWME-SNVBAGLBSA-N 0 3 228.361 1.068 20 30 BDEDHN CC#CC(=O)NCCN1CCCC[C@H]1CC ZINC000764507350 585467034 /nfs/dbraw/zinc/46/70/34/585467034.db2.gz MGZAECMMYAGDGI-GFCCVEGCSA-N 0 3 222.332 1.390 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC[C@H]1CCCCO1 ZINC000764667485 585470380 /nfs/dbraw/zinc/47/03/80/585470380.db2.gz RSMMLNSSBPKZEG-GFCCVEGCSA-N 0 3 240.347 1.180 20 30 BDEDHN C#CCOc1ccc(CNC2(COC)CC2)cc1 ZINC000765270830 585483210 /nfs/dbraw/zinc/48/32/10/585483210.db2.gz LXTYACQUBKBABS-UHFFFAOYSA-N 0 3 245.322 1.967 20 30 BDEDHN C#CCNC(=O)CCN[C@H](C)c1cncc(F)c1 ZINC000765506971 585488620 /nfs/dbraw/zinc/48/86/20/585488620.db2.gz OVBBVSGZAAYSCB-SNVBAGLBSA-N 0 3 249.289 1.011 20 30 BDEDHN Cc1cc(N=NC2CCN3CCC[C@H]23)nc(C)n1 ZINC000765572489 585489998 /nfs/dbraw/zinc/48/99/98/585489998.db2.gz COIXVUMSJKQRJU-GFCCVEGCSA-N 0 3 245.330 1.729 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C ZINC000765589038 585490529 /nfs/dbraw/zinc/49/05/29/585490529.db2.gz ULGSWRCBAVWLGA-WDEREUQCSA-N 0 3 236.315 1.680 20 30 BDEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccco2)C1 ZINC000765927718 585493873 /nfs/dbraw/zinc/49/38/73/585493873.db2.gz DKUGQQVHHIKOLN-IJLUTSLNSA-N 0 3 234.299 1.985 20 30 BDEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2ccco2)C1 ZINC000765927713 585493999 /nfs/dbraw/zinc/49/39/99/585493999.db2.gz DKUGQQVHHIKOLN-GRYCIOLGSA-N 0 3 234.299 1.985 20 30 BDEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1ccccn1 ZINC000766253458 585499652 /nfs/dbraw/zinc/49/96/52/585499652.db2.gz WILHRRKXLIARIX-NXEZZACHSA-N 0 3 244.250 1.211 20 30 BDEDHN C#CCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000766894874 585508833 /nfs/dbraw/zinc/50/88/33/585508833.db2.gz FTLNRFHULXAKNG-LBPRGKRZSA-N 0 3 243.372 1.299 20 30 BDEDHN C#CCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000766894873 585508914 /nfs/dbraw/zinc/50/89/14/585508914.db2.gz FTLNRFHULXAKNG-GFCCVEGCSA-N 0 3 243.372 1.299 20 30 BDEDHN C#CCCCN1CCC[C@@H](NC(C)=O)C1 ZINC000766896203 585509819 /nfs/dbraw/zinc/50/98/19/585509819.db2.gz XXODIFCCDFJPBC-GFCCVEGCSA-N 0 3 208.305 1.000 20 30 BDEDHN Cc1cc(CNC2CCN(CC#N)CC2)c(C)o1 ZINC000767353688 585517421 /nfs/dbraw/zinc/51/74/21/585517421.db2.gz XTMJMPRVWXTQCF-UHFFFAOYSA-N 0 3 247.342 1.974 20 30 BDEDHN N=C(N)NN=Cc1cnc(C2CCCC2)s1 ZINC000767743405 585525515 /nfs/dbraw/zinc/52/55/15/585525515.db2.gz JKGISQMTMWRXRN-UHFFFAOYSA-N 0 3 237.332 1.618 20 30 BDEDHN C=CCN(CCC1OCCCO1)C1CC1 ZINC000772381338 585613890 /nfs/dbraw/zinc/61/38/90/585613890.db2.gz JHNVZUOLJGKNMN-UHFFFAOYSA-N 0 3 211.305 1.790 20 30 BDEDHN CC#CCN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000773123339 585631983 /nfs/dbraw/zinc/63/19/83/585631983.db2.gz ZGKVXTVTEIKLSK-LLVKDONJSA-N 0 3 242.322 1.879 20 30 BDEDHN C#CCCCCC(=O)NCCN1CCC[C@@H]1C ZINC000773886055 585645869 /nfs/dbraw/zinc/64/58/69/585645869.db2.gz DCCGYWLXJHLFCX-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN C#C[C@@H](NCc1cc(C)ccc1O)[C@H]1CCCO1 ZINC000775343308 585676363 /nfs/dbraw/zinc/67/63/63/585676363.db2.gz VZPROTGSQRNXSS-UKRRQHHQSA-N 0 3 245.322 1.971 20 30 BDEDHN C#CC[C@@H](NCC1(CO)COC1)c1ccccc1 ZINC000775400481 585677714 /nfs/dbraw/zinc/67/77/14/585677714.db2.gz KAOUGGSKHAHAID-CQSZACIVSA-N 0 3 245.322 1.350 20 30 BDEDHN C#C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCCO1 ZINC000775574013 585680692 /nfs/dbraw/zinc/68/06/92/585680692.db2.gz MZPSBSUVWHPBNM-NEBZKDRISA-N 0 3 248.370 1.382 20 30 BDEDHN C#C[C@H](NCCn1nc(C)cc1C)[C@H]1CCCO1 ZINC000775785556 585684716 /nfs/dbraw/zinc/68/47/16/585684716.db2.gz PRANZIPQFARMTJ-UONOGXRCSA-N 0 3 247.342 1.270 20 30 BDEDHN C#C[C@H](NCCCn1ccnc1)[C@H]1CCCO1 ZINC000775796485 585685359 /nfs/dbraw/zinc/68/53/59/585685359.db2.gz YQAKDOULMBXCNL-QWHCGFSZSA-N 0 3 233.315 1.044 20 30 BDEDHN C#C[C@H](NCCCc1nc(C)no1)[C@@H]1CCCO1 ZINC000775806934 585685592 /nfs/dbraw/zinc/68/55/92/585685592.db2.gz OXPVIPRFWULMEC-RYUDHWBXSA-N 0 3 249.314 1.081 20 30 BDEDHN C#C[C@H](N[C@@H](C)Cn1cccn1)[C@@H]1CCCO1 ZINC000775999751 585689049 /nfs/dbraw/zinc/68/90/49/585689049.db2.gz IBXWRWCHLSYDGO-AVGNSLFASA-N 0 3 233.315 1.042 20 30 BDEDHN C#CCCN1CCN(CC(=C)CC)CC1 ZINC000776594120 585702319 /nfs/dbraw/zinc/70/23/19/585702319.db2.gz VNXMOBIXAGEIKO-UHFFFAOYSA-N 0 3 206.333 1.594 20 30 BDEDHN C[C@@H]1CC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)=NO1 ZINC000777435743 585712087 /nfs/dbraw/zinc/71/20/87/585712087.db2.gz KOVLXWVJLPJXDY-LPEHRKFASA-N 0 3 239.319 1.098 20 30 BDEDHN C=CCN(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000777580413 585716195 /nfs/dbraw/zinc/71/61/95/585716195.db2.gz NLJXNCHSHOMIAU-LBPRGKRZSA-N 0 3 239.363 1.688 20 30 BDEDHN COC[C@H](C)NN=Cc1ccc(N(C)C)cc1 ZINC000777902179 585723231 /nfs/dbraw/zinc/72/32/31/585723231.db2.gz OWSKUPHCZCAXKH-NSHDSACASA-N 0 3 235.331 1.711 20 30 BDEDHN C=CCN(C)Cc1ccc(OCC(N)=O)cc1 ZINC000778167296 585726584 /nfs/dbraw/zinc/72/65/84/585726584.db2.gz GSTAWBPKWKIKOI-UHFFFAOYSA-N 0 3 234.299 1.169 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](F)Cc1ccccc1 ZINC000778295888 585730399 /nfs/dbraw/zinc/73/03/99/585730399.db2.gz XOEKXMMJSXHPEM-GHMZBOCLSA-N 0 3 248.257 1.022 20 30 BDEDHN CC[C@@H]1C[C@@H](C=Nn2c(C)nnc2C)CCO1 ZINC000779760823 585761459 /nfs/dbraw/zinc/76/14/59/585761459.db2.gz COFQJYBNAKDXCR-NWDGAFQWSA-N 0 3 236.319 1.934 20 30 BDEDHN CC(=NNC1=NC[C@H](C)N1)c1ccsc1 ZINC000779791670 585763894 /nfs/dbraw/zinc/76/38/94/585763894.db2.gz FDTZLRMLUPXHAM-ZETCQYMHSA-N 0 3 222.317 1.409 20 30 BDEDHN C[C@@H]1CN=C(NN=C2c3ccccc3C[C@H]2C)N1 ZINC000779792856 585764162 /nfs/dbraw/zinc/76/41/62/585764162.db2.gz VMRXBXWMJFEENM-NXEZZACHSA-N 0 3 242.326 1.520 20 30 BDEDHN CN(C)C1(C(=O)N2CCC(C)(C#N)CC2)CCC1 ZINC000781028245 585788823 /nfs/dbraw/zinc/78/88/23/585788823.db2.gz YICOWNJASABJAH-UHFFFAOYSA-N 0 3 249.358 1.623 20 30 BDEDHN N#Cc1ccc(CN[C@H]2CCCOCC2)nc1 ZINC000783294364 585833461 /nfs/dbraw/zinc/83/34/61/585833461.db2.gz ONUWBVOFMIOAOK-LBPRGKRZSA-N 0 3 231.299 1.612 20 30 BDEDHN C[C@@H]1CCCCN1CCNC(=O)NCCC#N ZINC000783644576 585839255 /nfs/dbraw/zinc/83/92/55/585839255.db2.gz DRHMDSVNWYKNCG-LLVKDONJSA-N 0 3 238.335 1.074 20 30 BDEDHN CC(CCC(F)(F)F)=Nn1cnnc1 ZINC000783770800 585842895 /nfs/dbraw/zinc/84/28/95/585842895.db2.gz IFYLJQNJKGNYKS-UHFFFAOYSA-N 0 3 206.171 1.845 20 30 BDEDHN CN(C)c1ccc(C=NN[C@@H]2CCOC2)cc1 ZINC000788448525 585924360 /nfs/dbraw/zinc/92/43/60/585924360.db2.gz WGTUOSHQMVQAAO-GFCCVEGCSA-N 0 3 233.315 1.465 20 30 BDEDHN C[C@@H](CC#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000805881858 585932983 /nfs/dbraw/zinc/93/29/83/585932983.db2.gz KMQBMQGIOPNLQB-JTQLQIEISA-N 0 3 236.315 1.706 20 30 BDEDHN CC(C)CCOc1ccc(C=NNC(=N)N)cc1 ZINC000790275519 585962149 /nfs/dbraw/zinc/96/21/49/585962149.db2.gz ZMCWSLPYIDGREX-UHFFFAOYSA-N 0 3 248.330 1.928 20 30 BDEDHN COc1cccc(CN=Nc2nccn2C)c1 ZINC000790306507 585963379 /nfs/dbraw/zinc/96/33/79/585963379.db2.gz ZLZQYELNCVUXFW-UHFFFAOYSA-N 0 3 230.271 1.875 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@H](O)CC(C)(C)C ZINC000791365615 585978983 /nfs/dbraw/zinc/97/89/83/585978983.db2.gz ZECBMTZQNJERMB-LLVKDONJSA-N 0 3 242.363 1.018 20 30 BDEDHN C#CCCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000791590483 585985200 /nfs/dbraw/zinc/98/52/00/585985200.db2.gz MPDHUGVFFANVNE-STQMWFEESA-N 0 3 223.316 1.280 20 30 BDEDHN C[C@](CO)(NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000792278262 585998892 /nfs/dbraw/zinc/99/88/92/585998892.db2.gz SIZISIVDNGUFSH-CQSZACIVSA-N 0 3 248.301 1.948 20 30 BDEDHN OCC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC000792286373 585998921 /nfs/dbraw/zinc/99/89/21/585998921.db2.gz AODUZSMCKUXARP-HNNXBMFYSA-N 0 3 229.323 1.789 20 30 BDEDHN CSCCON=C1CCN2CCC[C@H]12 ZINC000794574057 586044402 /nfs/dbraw/zinc/04/44/02/586044402.db2.gz SAQKOPCFMQJDGJ-SNVBAGLBSA-N 0 3 214.334 1.590 20 30 BDEDHN C[C@H](C#N)CNCC1CCC2(CC1)OCCO2 ZINC000795950956 586094957 /nfs/dbraw/zinc/09/49/57/586094957.db2.gz BXBGGFGRGZDHSV-LLVKDONJSA-N 0 3 238.331 1.669 20 30 BDEDHN CO[C@H]1C[C@@H](N(C)CCO[C@@H](C)C#N)C1 ZINC000796228657 586099212 /nfs/dbraw/zinc/09/92/12/586099212.db2.gz XNQPXSZWAIYBLI-GARJFASQSA-N 0 3 212.293 1.024 20 30 BDEDHN C#CCCN(C)[C@H](CC(N)=O)c1ccccc1 ZINC000796530329 586106187 /nfs/dbraw/zinc/10/61/87/586106187.db2.gz HUPRETMNZUBXCX-CYBMUJFWSA-N 0 3 230.311 1.558 20 30 BDEDHN CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000796885867 586116144 /nfs/dbraw/zinc/11/61/44/586116144.db2.gz VGLCFWGXZMIYTR-LBPRGKRZSA-N 0 3 244.294 1.730 20 30 BDEDHN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)nc(N)n1 ZINC000797836615 586132772 /nfs/dbraw/zinc/13/27/72/586132772.db2.gz XCHRHDVMABQUIZ-CMPLNLGQSA-N 0 3 248.330 1.760 20 30 BDEDHN C[C@](O)(CN[C@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000799719268 586194271 /nfs/dbraw/zinc/19/42/71/586194271.db2.gz XTBFSVZWSYVXJD-GVXVVHGQSA-N 0 3 234.299 1.769 20 30 BDEDHN Cc1cc(Cl)nc(CNC(=O)C(C)C#N)c1 ZINC000800574406 586224885 /nfs/dbraw/zinc/22/48/85/586224885.db2.gz AHTCCLYRCGQZFH-MRVPVSSYSA-N 0 3 237.690 1.819 20 30 BDEDHN CC#CC(=O)NCCN1CCCC(C)(C)C1 ZINC000801258706 586251151 /nfs/dbraw/zinc/25/11/51/586251151.db2.gz HSMMDPBZSIJVJM-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN CC#CCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801875838 586275703 /nfs/dbraw/zinc/27/57/03/586275703.db2.gz XPXWTSMVVLGQLT-UHFFFAOYSA-N 0 3 235.327 1.817 20 30 BDEDHN C[C@H](C#N)OCC[N@H+](C)Cc1ccccc1[O-] ZINC000801932448 586278259 /nfs/dbraw/zinc/27/82/59/586278259.db2.gz MIBRBJLEESRIQV-LLVKDONJSA-N 0 3 234.299 1.753 20 30 BDEDHN C[C@H](C#N)OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000801932448 586278260 /nfs/dbraw/zinc/27/82/60/586278260.db2.gz MIBRBJLEESRIQV-LLVKDONJSA-N 0 3 234.299 1.753 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(c2c[nH]cn2)CC1 ZINC000801933889 586278671 /nfs/dbraw/zinc/27/86/71/586278671.db2.gz DADGQSFYHIOAHZ-NSHDSACASA-N 0 3 248.330 1.518 20 30 BDEDHN C[C@H](C#N)OCCN1CCOCC[C@@H]1C ZINC000801938516 586280831 /nfs/dbraw/zinc/28/08/31/586280831.db2.gz FWEXOELTQPOFRJ-WDEREUQCSA-N 0 3 212.293 1.026 20 30 BDEDHN C=CCN1CCN(CN(CCC)CCC)C1=O ZINC000839959940 586300317 /nfs/dbraw/zinc/30/03/17/586300317.db2.gz PCYXMIFNEDLYLA-UHFFFAOYSA-N 0 3 239.363 1.990 20 30 BDEDHN CC(C#N)C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000802623778 586306949 /nfs/dbraw/zinc/30/69/49/586306949.db2.gz MZPASTDSBSKZFP-VIFPVBQESA-N 0 3 248.257 1.015 20 30 BDEDHN C=CCNC(=S)N(C)[C@H]1CCN(C(C)C)C1 ZINC000840831622 586462864 /nfs/dbraw/zinc/46/28/64/586462864.db2.gz IIBJQBFRBDUPSI-NSHDSACASA-N 0 3 241.404 1.461 20 30 BDEDHN N#CC[C@@H](O)CN1CCC[C@H]1Cc1ccccc1 ZINC000809571417 586507322 /nfs/dbraw/zinc/50/73/22/586507322.db2.gz QXKVXTNBKTZRQN-LSDHHAIUSA-N 0 3 244.338 1.968 20 30 BDEDHN C#Cc1ccc(CN[C@@H](C)COCCOC)cc1 ZINC000809622942 586509351 /nfs/dbraw/zinc/50/93/51/586509351.db2.gz OHZGUPRWGGUFQO-ZDUSSCGKSA-N 0 3 247.338 1.809 20 30 BDEDHN C#Cc1ccc(CNCC[C@@H](C)[S@@](C)=O)cc1 ZINC000809634083 586510316 /nfs/dbraw/zinc/51/03/16/586510316.db2.gz QTYHVPDJKZXSQQ-SJKOYZFVSA-N 0 3 249.379 1.915 20 30 BDEDHN C#CCOc1ccc(CN(C)CCN(C)C)cc1 ZINC000809729219 586515457 /nfs/dbraw/zinc/51/54/57/586515457.db2.gz BKELKQUJDDBIPT-UHFFFAOYSA-N 0 3 246.354 1.692 20 30 BDEDHN C=C(C)CN=NC1CN(C2CC2)C[C@H]1C ZINC000811649968 586562904 /nfs/dbraw/zinc/56/29/04/586562904.db2.gz FQUMQNGBNPBDRI-SNVBAGLBSA-N 0 3 207.321 1.622 20 30 BDEDHN C[C@@H]1CC(N=NC[C@H]2CCSC2)CCN1C ZINC000811660254 586564619 /nfs/dbraw/zinc/56/46/19/586564619.db2.gz JWQKPMUHILQRGL-GHMZBOCLSA-N 0 3 241.404 1.799 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)CCCC#N ZINC000812518479 586578260 /nfs/dbraw/zinc/57/82/60/586578260.db2.gz FRNJBWRKZLUAKL-LLVKDONJSA-N 0 3 225.336 1.383 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@H](n2cccn2)C1 ZINC000812876764 586588246 /nfs/dbraw/zinc/58/82/46/586588246.db2.gz LDYBAXWFLWQLNE-NEPJUHHUSA-N 0 3 234.303 1.059 20 30 BDEDHN CC(COC(=O)CC(C)(C)C#N)[N+](=O)[O-] ZINC000813114437 586593876 /nfs/dbraw/zinc/59/38/76/586593876.db2.gz AYRXXFZTQNWGJS-SSDOTTSWSA-N 0 3 214.221 1.135 20 30 BDEDHN C#CC(C)(C)NC(=O)CC1CCN(C)CC1 ZINC000813452298 586602068 /nfs/dbraw/zinc/60/20/68/586602068.db2.gz LIWIITIDPJQCEF-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN CC[C@@H](C)NN=C1CCN(CC(C)(C)O)CC1 ZINC000814227908 586618281 /nfs/dbraw/zinc/61/82/81/586618281.db2.gz PLMOBHUTASLLGS-LLVKDONJSA-N 0 3 241.379 1.597 20 30 BDEDHN CN(CCO)c1ccc(C=NOCC2CC2)cc1 ZINC000814245083 586619922 /nfs/dbraw/zinc/61/99/22/586619922.db2.gz QOVLGDASNJSXOX-UHFFFAOYSA-N 0 3 248.326 1.876 20 30 BDEDHN CCc1ccc(C#CC(=O)NCCN(C)C)cc1 ZINC000814360085 586621562 /nfs/dbraw/zinc/62/15/62/586621562.db2.gz BLSYMBOZNLNFFF-UHFFFAOYSA-N 0 3 244.338 1.278 20 30 BDEDHN CC(=Nn1cnnc1)c1ccc(CN(C)C)cc1 ZINC000814682319 586628141 /nfs/dbraw/zinc/62/81/41/586628141.db2.gz IONWWZMVACDPLZ-UHFFFAOYSA-N 0 3 243.314 1.612 20 30 BDEDHN CCON=C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000814788472 586634203 /nfs/dbraw/zinc/63/42/03/586634203.db2.gz WFUBAGTXCLVBCB-TXEJJXNPSA-N 0 3 226.320 1.652 20 30 BDEDHN CC(Cc1ccc(F)cc1)=NNC1=N[C@H](C)CN1 ZINC000814896919 586645156 /nfs/dbraw/zinc/64/51/56/586645156.db2.gz ANAGBMLUBPRBSZ-SNVBAGLBSA-N 0 3 248.305 1.681 20 30 BDEDHN CCCC(=NNC1=NC[C@H](C)N1)c1ccccn1 ZINC000814899119 586645793 /nfs/dbraw/zinc/64/57/93/586645793.db2.gz ZQFCSTFMSCGDPF-JTQLQIEISA-N 0 3 245.330 1.523 20 30 BDEDHN CCC(=NNCC(C)(C)CO)c1cccc(N)c1 ZINC000814922253 586651444 /nfs/dbraw/zinc/65/14/44/586651444.db2.gz AZJMZPIYYOBMGM-UHFFFAOYSA-N 0 3 249.358 1.991 20 30 BDEDHN CC[C@@H](O)CNN=C1CCCc2ccc(N)cc21 ZINC000814932865 586653819 /nfs/dbraw/zinc/65/38/19/586653819.db2.gz VVNBZLLFHSNLPP-GFCCVEGCSA-N 0 3 247.342 1.670 20 30 BDEDHN C[C@@H]1CCOCCN1CCOCCC#N ZINC000815085209 586665710 /nfs/dbraw/zinc/66/57/10/586665710.db2.gz OJAYQKVAXBPTPB-LLVKDONJSA-N 0 3 212.293 1.027 20 30 BDEDHN C#C[C@@H](NCCC1(OC)CCC1)[C@H]1CCCO1 ZINC000815093547 586666064 /nfs/dbraw/zinc/66/60/64/586666064.db2.gz NPGQLEKEBILJJT-CHWSQXEVSA-N 0 3 237.343 1.716 20 30 BDEDHN C=CCC(F)(F)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000815691809 586691558 /nfs/dbraw/zinc/69/15/58/586691558.db2.gz BQPRGDVBTCZDCF-ZJUUUORDSA-N 0 3 246.301 1.797 20 30 BDEDHN C[C@H](C(=O)C(C#N)c1ccncn1)C(C)(F)F ZINC000816019657 586704014 /nfs/dbraw/zinc/70/40/14/586704014.db2.gz SPQKUJGCEVZZJW-HTQZYQBOSA-N 0 3 239.225 1.944 20 30 BDEDHN C#C[C@H](CC)NCc1ccc2c(c1)oc(=O)n2C ZINC000816608149 586743467 /nfs/dbraw/zinc/74/34/67/586743467.db2.gz QHORDLKGKPKYNZ-LLVKDONJSA-N 0 3 244.294 1.633 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1CC(F)(F)C1 ZINC000816788939 586764392 /nfs/dbraw/zinc/76/43/92/586764392.db2.gz BROJHUOJBJBJCI-UHFFFAOYSA-N 0 3 232.274 1.266 20 30 BDEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C ZINC000817290080 586793157 /nfs/dbraw/zinc/79/31/57/586793157.db2.gz GVSKKWISLBMKRQ-SNVBAGLBSA-N 0 3 202.729 1.765 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817490225 586807587 /nfs/dbraw/zinc/80/75/87/586807587.db2.gz AFKHAGPPTIPDNW-LBPRGKRZSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CC1(F)F ZINC000817607231 586813714 /nfs/dbraw/zinc/81/37/14/586813714.db2.gz SZULTSFJFFUCNP-LLVKDONJSA-N 0 3 244.285 1.103 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC(CC)(CC)C1 ZINC000818114448 586875141 /nfs/dbraw/zinc/87/51/41/586875141.db2.gz ZGNSWAWARKXBIY-UHFFFAOYSA-N 0 3 224.348 1.753 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CC[C@H]2O)cc1 ZINC000818230587 586881085 /nfs/dbraw/zinc/88/10/85/586881085.db2.gz HNJQQFILHYGTQN-LERXQTSPSA-N 0 3 246.310 1.590 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cc2c(cn1)CCC2 ZINC000818982947 586920221 /nfs/dbraw/zinc/92/02/21/586920221.db2.gz PQWAKDXCZSHZID-UHFFFAOYSA-N 0 3 245.326 1.627 20 30 BDEDHN C#CCNC(=O)CCNCc1c(C)cccc1F ZINC000819113980 586931371 /nfs/dbraw/zinc/93/13/71/586931371.db2.gz XMPLJQXSXCEHND-UHFFFAOYSA-N 0 3 248.301 1.363 20 30 BDEDHN N#CCCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819220435 586939995 /nfs/dbraw/zinc/93/99/95/586939995.db2.gz ACOWTMIBEFQTNM-GFCCVEGCSA-N 0 3 249.270 1.522 20 30 BDEDHN C#CC(C)(C)NC(=O)CN(C)CC(C)(C)C ZINC000819970951 587009364 /nfs/dbraw/zinc/00/93/64/587009364.db2.gz BVBPIAVWJRJQFH-UHFFFAOYSA-N 0 3 224.348 1.492 20 30 BDEDHN C#C[C@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000820395073 587045941 /nfs/dbraw/zinc/04/59/41/587045941.db2.gz SUBFJONYMFXBGC-NWDGAFQWSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000820838023 587075930 /nfs/dbraw/zinc/07/59/30/587075930.db2.gz QUPDZOZAVXGKQX-CQSZACIVSA-N 0 3 248.370 1.923 20 30 BDEDHN C#CC[C@H](CO)NCc1c(C)nn(CCC)c1C ZINC000821207391 587101660 /nfs/dbraw/zinc/10/16/60/587101660.db2.gz PPBGLUJCTGTRJL-CYBMUJFWSA-N 0 3 249.358 1.384 20 30 BDEDHN C[C@H]1CC(NC(=O)CN(C)CC(C)(C)C)=NO1 ZINC000821394697 587115886 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/nfs/dbraw/zinc/35/76/82/590357682.db2.gz OJPSAPOJLRPELG-WDEREUQCSA-N 0 3 218.304 1.857 20 30 BDEDHN CC[C@H](C[C@@H](C)O)NCc1cccc(C#N)n1 ZINC000877778508 590423054 /nfs/dbraw/zinc/42/30/54/590423054.db2.gz OVKLOMSQNHEBFD-GHMZBOCLSA-N 0 3 233.315 1.592 20 30 BDEDHN C#CCCCCCCN1CCSC[C@@H]1CO ZINC000877780400 590423364 /nfs/dbraw/zinc/42/33/64/590423364.db2.gz PGXXTEOOUCIDRK-ZDUSSCGKSA-N 0 3 241.400 1.980 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2ncnn2C)CC1 ZINC000877832931 590430166 /nfs/dbraw/zinc/43/01/66/590430166.db2.gz AJGQCRQIRVKKLK-XYPYZODXSA-N 0 3 218.304 1.097 20 30 BDEDHN C=CC[C@@H](C)N1CCN(CCOCC)CC1 ZINC000878062975 590486005 /nfs/dbraw/zinc/48/60/05/590486005.db2.gz FPSPPOANIKBQFV-CYBMUJFWSA-N 0 3 226.364 1.605 20 30 BDEDHN C#CCCCCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000878102957 590493816 /nfs/dbraw/zinc/49/38/16/590493816.db2.gz FTOIMKCCFLMCCK-AWEZNQCLSA-N 0 3 248.370 1.923 20 30 BDEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)C ZINC000878197035 590523012 /nfs/dbraw/zinc/52/30/12/590523012.db2.gz CZPVLOBYSNYIOB-JTQLQIEISA-N 0 3 212.337 1.655 20 30 BDEDHN C#CCCN1CCN(CCCC2CC2)CC1 ZINC000878313287 590541089 /nfs/dbraw/zinc/54/10/89/590541089.db2.gz WCIYPIWBVGSACO-UHFFFAOYSA-N 0 3 220.360 1.818 20 30 BDEDHN C#CCCN1CCN([C@H](C)CC=C)CC1 ZINC000878312948 590541249 /nfs/dbraw/zinc/54/12/49/590541249.db2.gz QWIRCRYLZJTKCB-CYBMUJFWSA-N 0 3 206.333 1.592 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N(C)CC1CCOCC1 ZINC000878334375 590548140 /nfs/dbraw/zinc/54/81/40/590548140.db2.gz WZUGFAZIXFIMGE-LBPRGKRZSA-N 0 3 241.331 1.463 20 30 BDEDHN C=C(C)CN(C)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878383791 590557738 /nfs/dbraw/zinc/55/77/38/590557738.db2.gz VXGAOIRHIZRIID-HUUCEWRRSA-N 0 3 249.354 1.979 20 30 BDEDHN COC(=O)C[C@H](NCc1ccc(C#N)o1)C1CC1 ZINC000878415585 590563014 /nfs/dbraw/zinc/56/30/14/590563014.db2.gz ZDZIQCDXHKVDOX-LBPRGKRZSA-N 0 3 248.282 1.583 20 30 BDEDHN C=CC[C@@H](C)N1CCN(c2ccnc(C)n2)CC1 ZINC000878430673 590566336 /nfs/dbraw/zinc/56/63/36/590566336.db2.gz OIGVYUXPKROMLX-GFCCVEGCSA-N 0 3 246.358 1.872 20 30 BDEDHN C#CCCCCCN1CCOC[C@@H]1C[C@H](C)O ZINC000878438345 590567677 /nfs/dbraw/zinc/56/76/77/590567677.db2.gz ZAYFLIKDJVLARZ-KBPBESRZSA-N 0 3 239.359 1.652 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N(C)CCN(C)C1CC1 ZINC000878443427 590568498 /nfs/dbraw/zinc/56/84/98/590568498.db2.gz HYJJZDSJBXPNRS-LBPRGKRZSA-N 0 3 240.347 1.130 20 30 BDEDHN C#CCCCCCN[C@@H](C#C)[C@H]1CCCO1 ZINC000878454175 590570562 /nfs/dbraw/zinc/57/05/62/590570562.db2.gz UYBVKVCROJYFGK-UONOGXRCSA-N 0 3 219.328 1.950 20 30 BDEDHN C=CC[C@H](C)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000878483234 590577314 /nfs/dbraw/zinc/57/73/14/590577314.db2.gz IUFVYKCMDRSQEJ-QJPTWQEYSA-N 0 3 213.321 1.687 20 30 BDEDHN C=CCN(CCOC)CC[C@H](O)C(C)C ZINC000878502878 590581298 /nfs/dbraw/zinc/58/12/98/590581298.db2.gz JISUTSAGUSGNRL-LBPRGKRZSA-N 0 3 215.337 1.528 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H]1CCC2(CCOCC2)O1 ZINC000878516207 590584527 /nfs/dbraw/zinc/58/45/27/590584527.db2.gz BEJDMDZJRUZMFE-CHWSQXEVSA-N 0 3 237.343 1.668 20 30 BDEDHN C#C[C@@H](C)N(C)CCc1ccc(C(N)=O)cc1 ZINC000878517958 590585640 /nfs/dbraw/zinc/58/56/40/590585640.db2.gz WURYBZPSDZGMAF-LLVKDONJSA-N 0 3 230.311 1.282 20 30 BDEDHN C=CC[C@H](C)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000878545161 590589811 /nfs/dbraw/zinc/58/98/11/590589811.db2.gz PSVVRBHLIXMADE-AVGNSLFASA-N 0 3 225.332 1.831 20 30 BDEDHN C#C[C@@](C)(CC)NC[C@H](O)CC1(O)CCCC1 ZINC000878661669 590604825 /nfs/dbraw/zinc/60/48/25/590604825.db2.gz GVOITDWJIWANPN-OLZOCXBDSA-N 0 3 239.359 1.434 20 30 BDEDHN C#CCCCCCN[C@H](CO)c1ccnn1C ZINC000878702772 590611807 /nfs/dbraw/zinc/61/18/07/590611807.db2.gz PGJRSEVJCVUUET-GFCCVEGCSA-N 0 3 235.331 1.237 20 30 BDEDHN C#CCCCN1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000878752820 590618808 /nfs/dbraw/zinc/61/88/08/590618808.db2.gz TWEFPQSKLDIRQL-SDDRHHMPSA-N 0 3 222.332 1.339 20 30 BDEDHN C#CC[C@@H]1CCCN(CCc2cnccn2)C1 ZINC000878759996 590619085 /nfs/dbraw/zinc/61/90/85/590619085.db2.gz DHIZIULQKXGRJC-CYBMUJFWSA-N 0 3 229.327 1.754 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000878843394 590630952 /nfs/dbraw/zinc/63/09/52/590630952.db2.gz CCIHDWVNCRGOIU-NEPJUHHUSA-N 0 3 230.315 1.111 20 30 BDEDHN C#CCN(C[C@H]1CCO[C@H]1C)C1CSC1 ZINC000878909928 590647023 /nfs/dbraw/zinc/64/70/23/590647023.db2.gz ZETGCPVPJJUMBB-WDEREUQCSA-N 0 3 225.357 1.462 20 30 BDEDHN C#CCN(CC[C@@H]1CCCO1)C1CSC1 ZINC000878910152 590647283 /nfs/dbraw/zinc/64/72/83/590647283.db2.gz OKCKPIHLJBZQCO-LBPRGKRZSA-N 0 3 225.357 1.606 20 30 BDEDHN C#CCN(CC1CCOCC1)C1CSC1 ZINC000878911173 590648455 /nfs/dbraw/zinc/64/84/55/590648455.db2.gz FQORAFWJBXCHFX-UHFFFAOYSA-N 0 3 225.357 1.464 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(C)c(C(=O)OC)c1 ZINC000878995789 590672617 /nfs/dbraw/zinc/67/26/17/590672617.db2.gz WYSISGKVSBREDE-GFCCVEGCSA-N 0 3 249.310 1.418 20 30 BDEDHN C#CCCN(CCOC)Cc1cc[nH]c(=O)c1 ZINC000878998266 590673750 /nfs/dbraw/zinc/67/37/50/590673750.db2.gz MYILPVRSXLRXIK-UHFFFAOYSA-N 0 3 234.299 1.259 20 30 BDEDHN C#CCOCCN1CCC(SC)CC1 ZINC000879100548 590696603 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SGYVXTYPPLMUCV-GFCCVEGCSA-N 0 3 232.283 1.445 20 30 BDEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cncnc1C ZINC000883392394 591644775 /nfs/dbraw/zinc/64/47/75/591644775.db2.gz GRYXNXUZJBVEIN-NWDGAFQWSA-N 0 3 235.331 1.763 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1ccnn1C(C)C ZINC000883400728 591647764 /nfs/dbraw/zinc/64/77/64/591647764.db2.gz UAPLXHBUDJGKIL-LBPRGKRZSA-N 0 3 237.347 1.881 20 30 BDEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000884244740 591881655 /nfs/dbraw/zinc/88/16/55/591881655.db2.gz KMNGHVRDZBUMLI-MNOVXSKESA-N 0 3 224.348 1.798 20 30 BDEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000135185181 591994302 /nfs/dbraw/zinc/99/43/02/591994302.db2.gz VBXBXLVNOLTWGP-ZIAGYGMSSA-N 0 3 246.310 1.312 20 30 BDEDHN CN1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC000135499152 592014889 /nfs/dbraw/zinc/01/48/89/592014889.db2.gz QPFDWMHOFPJLAX-VIFPVBQESA-N 0 3 221.329 1.413 20 30 BDEDHN C=CCOCCNCc1[nH]nc(C)c1C ZINC000886059796 592141978 /nfs/dbraw/zinc/14/19/78/592141978.db2.gz LUCHTCVCWCLDOK-UHFFFAOYSA-N 0 3 209.293 1.319 20 30 BDEDHN C=CCOCCNCc1n[nH]c(C)c1C ZINC000886059796 592141979 /nfs/dbraw/zinc/14/19/79/592141979.db2.gz LUCHTCVCWCLDOK-UHFFFAOYSA-N 0 3 209.293 1.319 20 30 BDEDHN C#CCN1CCC[C@@H](NCc2ccccn2)C1 ZINC000886212762 592177654 /nfs/dbraw/zinc/17/76/54/592177654.db2.gz FHXRNCUQOIWOHR-CQSZACIVSA-N 0 3 229.327 1.269 20 30 BDEDHN N#CC[C@@]1(O)CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886266082 592191025 /nfs/dbraw/zinc/19/10/25/592191025.db2.gz YUNUGPCTTNAIMO-HZSPNIEDSA-N 0 3 234.343 1.773 20 30 BDEDHN C#CCN(C[C@H]1C[C@]12CCOC2)C1CSC1 ZINC000886277021 592196441 /nfs/dbraw/zinc/19/64/41/592196441.db2.gz DKZXBAXVXBROFI-YPMHNXCESA-N 0 3 237.368 1.464 20 30 BDEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)NCC=C)C1 ZINC000886356110 592215943 /nfs/dbraw/zinc/21/59/43/592215943.db2.gz UAQNOWZETCAYHV-NWDGAFQWSA-N 0 3 220.316 1.022 20 30 BDEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)NCC=C)C1 ZINC000886356112 592215986 /nfs/dbraw/zinc/21/59/86/592215986.db2.gz UAQNOWZETCAYHV-VXGBXAGGSA-N 0 3 220.316 1.022 20 30 BDEDHN 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C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC001121933301 990139228 /nfs/dbraw/zinc/13/92/28/990139228.db2.gz MFLFTDDGIVLXTE-RYUDHWBXSA-N 0 3 240.347 1.355 20 30 BDEDHN CCn1ccnc1C(C#N)C(=O)c1cnn(C)c1 ZINC001526592948 990157755 /nfs/dbraw/zinc/15/77/55/990157755.db2.gz ANLVVLUYXTVCMJ-SNVBAGLBSA-N 0 3 243.270 1.127 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](CC)CCO ZINC001121960543 990159134 /nfs/dbraw/zinc/15/91/34/990159134.db2.gz UICCDZOGSISVCK-VXGBXAGGSA-N 0 3 242.363 1.195 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCCN1C ZINC001528037774 990258890 /nfs/dbraw/zinc/25/88/90/990258890.db2.gz QHMDPTFCBOKDRK-NWDGAFQWSA-N 0 3 237.347 1.134 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001122163963 990274429 /nfs/dbraw/zinc/27/44/29/990274429.db2.gz GWOHKCNKQZMUSM-OUAUKWLOSA-N 0 3 208.305 1.148 20 30 BDEDHN C=CC(C)(C)NC(=O)[C@H](N)CC(F)F ZINC001122417743 990379956 /nfs/dbraw/zinc/37/99/56/990379956.db2.gz HXDCRDWHXVXZQN-ZCFIWIBFSA-N 0 3 206.236 1.050 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC1(C)CC1 ZINC001122448530 990386715 /nfs/dbraw/zinc/38/67/15/990386715.db2.gz NRHXSPXZCAKNRB-SNVBAGLBSA-N 0 3 234.299 1.578 20 30 BDEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1F ZINC001122607158 990424445 /nfs/dbraw/zinc/42/44/45/990424445.db2.gz VSCHMRPDKZPPHK-HRDYMLBCSA-N 0 3 247.229 1.087 20 30 BDEDHN CC[C@@H](F)C(=O)C(C#N)c1nccn1CC ZINC001123337435 990553003 /nfs/dbraw/zinc/55/30/03/990553003.db2.gz QNZMRHFMPRAYPS-DTWKUNHWSA-N 0 3 223.251 1.827 20 30 BDEDHN CC#CCNCCNC(=O)[C@H]1CC=CCC1 ZINC001123403904 990578792 /nfs/dbraw/zinc/57/87/92/990578792.db2.gz MCFDVFHSJLFLGW-LBPRGKRZSA-N 0 3 220.316 1.072 20 30 BDEDHN CON=CC(=O)N(CCN(C)C)c1ccccc1 ZINC001544425288 990723024 /nfs/dbraw/zinc/72/30/24/990723024.db2.gz RGECKXNCOCIMEW-UHFFFAOYSA-N 0 3 249.314 1.213 20 30 BDEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)C1CC1 ZINC001566443113 990763467 /nfs/dbraw/zinc/76/34/67/990763467.db2.gz ZLFKCVCUAJOWCP-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN C=C(CC)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC001548644617 990774735 /nfs/dbraw/zinc/77/47/35/990774735.db2.gz TVPXKZUZQLYRSI-LBPRGKRZSA-N 0 3 222.332 1.648 20 30 BDEDHN C=CCCC(=O)NCCNCc1cccnc1C ZINC001124636849 990799186 /nfs/dbraw/zinc/79/91/86/990799186.db2.gz YBQHJPVUVRPFIG-UHFFFAOYSA-N 0 3 247.342 1.562 20 30 BDEDHN C#CCCN(C)CCNC(=O)c1cccc(C)n1 ZINC001567271365 990801616 /nfs/dbraw/zinc/80/16/16/990801616.db2.gz WGMOTZMEVKAAEA-UHFFFAOYSA-N 0 3 245.326 1.075 20 30 BDEDHN CC#CCCNCc1cc(C(=O)OC)oc1C ZINC001308655768 991088570 /nfs/dbraw/zinc/08/85/70/991088570.db2.gz GWWFKWUTRQSVKH-UHFFFAOYSA-N 0 3 235.283 1.878 20 30 BDEDHN C=CCn1cc(CN2CCC[C@@H](O)CC2)cn1 ZINC001139765812 991359584 /nfs/dbraw/zinc/35/95/84/991359584.db2.gz HDQLSOFFXGUWFF-CYBMUJFWSA-N 0 3 235.331 1.416 20 30 BDEDHN C=CCn1cc(CN2CC[C@H]3COC[C@@H]3C2)cn1 ZINC001139771289 991364756 /nfs/dbraw/zinc/36/47/56/991364756.db2.gz WESICCHNGXADNT-KBPBESRZSA-N 0 3 247.342 1.537 20 30 BDEDHN C=CCn1cc(CN2CC[C@@H]3OCC[C@H]3C2)cn1 ZINC001139771111 991365533 /nfs/dbraw/zinc/36/55/33/991365533.db2.gz OLKPWIHFANBUKU-KBPBESRZSA-N 0 3 247.342 1.680 20 30 BDEDHN O=C1C=C2CN(Cc3cccnn3)CCC2S1 ZINC001139968975 991435550 /nfs/dbraw/zinc/43/55/50/991435550.db2.gz GFXPWAWRPUXQIG-NSHDSACASA-N 0 3 247.323 1.251 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)/C(C)=C/CC ZINC001317237321 991459404 /nfs/dbraw/zinc/45/94/04/991459404.db2.gz ZXUIIKQJJVBLNY-OBIHZWKSSA-N 0 3 222.332 1.460 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)C(CC)CC ZINC001317226901 991465122 /nfs/dbraw/zinc/46/51/22/991465122.db2.gz IOSNHIQKGYBYAQ-LLVKDONJSA-N 0 3 224.348 1.540 20 30 BDEDHN CC#CCN[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001317299267 991490735 /nfs/dbraw/zinc/49/07/35/991490735.db2.gz ZNZCCXRLYUGKEC-UKVQZPPCSA-N 0 3 234.343 1.557 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)ncn1 ZINC001317444503 991514383 /nfs/dbraw/zinc/51/43/83/991514383.db2.gz ZZRYVMIQBRLPOK-UHFFFAOYSA-N 0 3 248.330 1.023 20 30 BDEDHN C#CCCN(C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001317463747 991527669 /nfs/dbraw/zinc/52/76/69/991527669.db2.gz HWDNDALWFMSFEP-QWHCGFSZSA-N 0 3 234.343 1.104 20 30 BDEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001317505750 991545646 /nfs/dbraw/zinc/54/56/46/991545646.db2.gz OGGUYZKQWJLYFN-NEPJUHHUSA-N 0 3 240.322 1.338 20 30 BDEDHN C=CCCC(=O)N(C)CCNC[C@@H](F)CC ZINC001317571756 991554768 /nfs/dbraw/zinc/55/47/68/991554768.db2.gz WPTFBWYWHZBFMG-NSHDSACASA-N 0 3 230.327 1.749 20 30 BDEDHN CC#CCNCCN(C)C(=O)CCC1(C)CC1 ZINC001317650120 991573064 /nfs/dbraw/zinc/57/30/64/991573064.db2.gz MEZVRKUNTUQAKR-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1ncnn1C ZINC001560796607 991602371 /nfs/dbraw/zinc/60/23/71/991602371.db2.gz FGLULJNRYPKOGI-XSRFYTQQSA-N 0 3 247.346 1.938 20 30 BDEDHN C#CCCN1CC(CNC(=O)CC2CCCC2)C1 ZINC001318095650 991620833 /nfs/dbraw/zinc/62/08/33/991620833.db2.gz DIKLVNSFYSMEOM-UHFFFAOYSA-N 0 3 248.370 1.638 20 30 BDEDHN C=CCC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258725080 991664407 /nfs/dbraw/zinc/66/44/07/991664407.db2.gz FVHGFGWHAUYBRF-AXFHLTTASA-N 0 3 228.336 1.851 20 30 BDEDHN C=CCC[C@@H](C)N1CC(=O)N2CCC[C@H]2C1 ZINC001258732978 991676838 /nfs/dbraw/zinc/67/68/38/991676838.db2.gz SJZYVZZLHXMYSL-NEPJUHHUSA-N 0 3 222.332 1.648 20 30 BDEDHN C=CCC[C@H](C)N1CCN(C(=O)NC)CC1 ZINC001258733700 991681577 /nfs/dbraw/zinc/68/15/77/991681577.db2.gz LYRDBNSKDYYKDF-NSHDSACASA-N 0 3 225.336 1.298 20 30 BDEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001566120329 991822407 /nfs/dbraw/zinc/82/24/07/991822407.db2.gz XJSORKBWLFBLKJ-STQMWFEESA-N 0 3 249.358 1.645 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)C1(C)CCC1 ZINC001567045100 991912164 /nfs/dbraw/zinc/91/21/64/991912164.db2.gz YVVXYJOWGBWSPJ-NSHDSACASA-N 0 3 222.332 1.294 20 30 BDEDHN C[C@H](C#N)C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001567091492 991943232 /nfs/dbraw/zinc/94/32/32/991943232.db2.gz LXAZPLWLJIBGIU-IMDSDMBUSA-N 0 3 241.722 1.089 20 30 BDEDHN C=CCN(C)CCNC(=O)[C@@H](CC)SC ZINC001567277832 991973985 /nfs/dbraw/zinc/97/39/85/991973985.db2.gz PEULEYVGKREGEL-SNVBAGLBSA-N 0 3 230.377 1.362 20 30 BDEDHN C#CCCN(C)CCNC(=O)Cc1ccccc1 ZINC001567289821 992003584 /nfs/dbraw/zinc/00/35/84/992003584.db2.gz XULXPDHKOHNZJE-UHFFFAOYSA-N 0 3 244.338 1.300 20 30 BDEDHN C=CCN(C)CCNC(=O)Cc1occc1C ZINC001567302920 992009187 /nfs/dbraw/zinc/00/91/87/992009187.db2.gz SUFDXWDCRHOEGY-UHFFFAOYSA-N 0 3 236.315 1.365 20 30 BDEDHN C=CCN(CC)CCNC(=O)c1c[nH]cc1C ZINC001567351698 992025035 /nfs/dbraw/zinc/02/50/35/992025035.db2.gz FUZIEVNBFYYLCY-UHFFFAOYSA-N 0 3 235.331 1.561 20 30 BDEDHN CC#CCN(CCC)CCNC(=O)[C@H]1C[C@H]1C ZINC001567422342 992034842 /nfs/dbraw/zinc/03/48/42/992034842.db2.gz XXFYVXUWHNTGGT-OLZOCXBDSA-N 0 3 236.359 1.494 20 30 BDEDHN CC#CCNCCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001567544538 992057661 /nfs/dbraw/zinc/05/76/61/992057661.db2.gz GEFBQEIVTIYQHA-AWEZNQCLSA-N 0 3 248.370 1.804 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)C#CC(C)C ZINC001319994800 992063576 /nfs/dbraw/zinc/06/35/76/992063576.db2.gz MKYWCIRVQUMBNP-UHFFFAOYSA-N 0 3 222.332 1.222 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001320042149 992088612 /nfs/dbraw/zinc/08/86/12/992088612.db2.gz MOAVJDGFVPDHLC-CHWSQXEVSA-N 0 3 238.375 1.999 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)CCn1cccc1 ZINC001568499719 992178998 /nfs/dbraw/zinc/17/89/98/992178998.db2.gz PDRCHJLCEROQKJ-UHFFFAOYSA-N 0 3 249.358 1.454 20 30 BDEDHN CC#CCNC/C=C\CNC(=O)c1cscn1 ZINC001568825318 992226200 /nfs/dbraw/zinc/22/62/00/992226200.db2.gz IJAZHOIJPLENSN-PLNGDYQASA-N 0 3 249.339 1.042 20 30 BDEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccncc1 ZINC001569101970 992307242 /nfs/dbraw/zinc/30/72/42/992307242.db2.gz IMKSRFNSPRTDCL-NSHDSACASA-N 0 3 233.315 1.318 20 30 BDEDHN C=CCN(C)C[C@H](C)NC(=O)C1=COCCC1 ZINC001569108892 992319448 /nfs/dbraw/zinc/31/94/48/992319448.db2.gz NIEPSXJXSUZDEL-NSHDSACASA-N 0 3 238.331 1.303 20 30 BDEDHN CC#CCNC1(CNC(=O)C2(C)CCC2)CC1 ZINC001569412533 992386947 /nfs/dbraw/zinc/38/69/47/992386947.db2.gz LANQGPNNUSJFDC-UHFFFAOYSA-N 0 3 234.343 1.438 20 30 BDEDHN C#CCNC1(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001569423906 992390729 /nfs/dbraw/zinc/39/07/29/992390729.db2.gz KUVLZKTURQCGHX-TZMCWYRMSA-N 0 3 248.370 1.540 20 30 BDEDHN C=C1CC(C)(C(=O)NCC2(NCC#CC)CC2)C1 ZINC001569417329 992392000 /nfs/dbraw/zinc/39/20/00/992392000.db2.gz JZHWAVBAGDSHHF-UHFFFAOYSA-N 0 3 246.354 1.604 20 30 BDEDHN C#CCNC/C=C/CNC(=O)C[C@@H](C)SC ZINC001321029481 992437839 /nfs/dbraw/zinc/43/78/39/992437839.db2.gz HIKDUYLZPCVJDN-MVIFTORASA-N 0 3 240.372 1.023 20 30 BDEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001570334912 992464190 /nfs/dbraw/zinc/46/41/90/992464190.db2.gz RMLFRBMFLPIKRY-MNOVXSKESA-N 0 3 228.311 1.359 20 30 BDEDHN CC#CCNC/C=C\CNC(=O)C1(CC)CC1 ZINC001321229944 992495188 /nfs/dbraw/zinc/49/51/88/992495188.db2.gz AWOKDMDWJPMJJI-SREVYHEPSA-N 0 3 234.343 1.462 20 30 BDEDHN Cc1ccncc1C=NNc1ccn(C)n1 ZINC001321234871 992497335 /nfs/dbraw/zinc/49/73/35/992497335.db2.gz ACNPRZRTEOBVND-UHFFFAOYSA-N 0 3 215.260 1.570 20 30 BDEDHN CCCN1CCCC[C@H]1C(=O)NCCC#N ZINC001321375448 992528245 /nfs/dbraw/zinc/52/82/45/992528245.db2.gz HWCVCFZEFOPIPZ-NSHDSACASA-N 0 3 223.320 1.281 20 30 BDEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)/C=C\C(C)(C)C)C1 ZINC001571472155 992567644 /nfs/dbraw/zinc/56/76/44/992567644.db2.gz AFRWEDDCCJQFPH-OTHLQRGRSA-N 0 3 248.370 1.801 20 30 BDEDHN C=CCN1CC=C(CNC(=O)[C@H](C)CC)CC1 ZINC001571681309 992579910 /nfs/dbraw/zinc/57/99/10/992579910.db2.gz RWVYZFHXLNPNMA-GFCCVEGCSA-N 0 3 236.359 1.967 20 30 BDEDHN C=C[C@@H]1CCCCN1CCO[C@@H]1CCOC1 ZINC001262277228 992835259 /nfs/dbraw/zinc/83/52/59/992835259.db2.gz CKOTXEZMZMGWPA-CHWSQXEVSA-N 0 3 225.332 1.832 20 30 BDEDHN C#C[C@@H](NC(=O)[C@H](N)CCCC=C)C(C)C ZINC001574505481 992871936 /nfs/dbraw/zinc/87/19/36/992871936.db2.gz SMIXXLVACJJGTD-VXGBXAGGSA-N 0 3 222.332 1.444 20 30 BDEDHN C#CCN(C(=O)CN)[C@H]1CCCc2ccccc21 ZINC001574583488 992878395 /nfs/dbraw/zinc/87/83/95/992878395.db2.gz JFIRGTSZBDIHML-AWEZNQCLSA-N 0 3 242.322 1.485 20 30 BDEDHN 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/nfs/dbraw/zinc/73/14/49/588731449.db2.gz PQVQYIOYINWMPX-UHFFFAOYSA-N 0 3 229.327 1.595 20 30 BDEDHN CCOC1CCC(=NNC2=N[C@H](C)CN2)CC1 ZINC000853330477 588733577 /nfs/dbraw/zinc/73/35/77/588733577.db2.gz NKIOSQYRDBVIJV-BFHBGLAWSA-N 0 3 238.335 1.259 20 30 BDEDHN C#Cc1cccnc1N(C)CCN(C)C ZINC000853399113 588740975 /nfs/dbraw/zinc/74/09/75/588740975.db2.gz YKXNVNGFBAFMGO-UHFFFAOYSA-N 0 3 203.289 1.061 20 30 BDEDHN C=CC[C@H]1CCCN(CN2CCOC2=S)C1 ZINC000853537139 588748091 /nfs/dbraw/zinc/74/80/91/588748091.db2.gz PUSVXHXDULQNPG-NSHDSACASA-N 0 3 240.372 1.849 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000854070621 588772960 /nfs/dbraw/zinc/77/29/60/588772960.db2.gz PBAHOJQIXXSBMB-QWHCGFSZSA-N 0 3 249.358 1.278 20 30 BDEDHN C#C[C@@](C)(CC)NC(=O)[C@@H](CC)N(C)C ZINC000854699255 588803120 /nfs/dbraw/zinc/80/31/20/588803120.db2.gz SZBZNGVNLZGUSP-PWSUYJOCSA-N 0 3 210.321 1.245 20 30 BDEDHN C#C[C@](C)(CC)NC(=O)[C@@H](CC)N(C)C ZINC000854699256 588803152 /nfs/dbraw/zinc/80/31/52/588803152.db2.gz SZBZNGVNLZGUSP-ZYHUDNBSSA-N 0 3 210.321 1.245 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@H](C)c1ccccn1 ZINC000855181036 588825659 /nfs/dbraw/zinc/82/56/59/588825659.db2.gz WGMLKTUBYWFYQO-NSHDSACASA-N 0 3 247.342 1.419 20 30 BDEDHN C=CC[C@@H]1CCN1C(=O)[C@H](CC)N(C)C ZINC000890548688 582470292 /nfs/dbraw/zinc/47/02/92/582470292.db2.gz XAEDSXGEZPRJCO-MNOVXSKESA-N 0 3 210.321 1.504 20 30 BDEDHN C=CC[C@H]1CCN1C(=O)[C@@H]1CCCN1C1CC1 ZINC000890551427 582472801 /nfs/dbraw/zinc/47/28/01/582472801.db2.gz ALFPIGMLNCTORT-AAEUAGOBSA-N 0 3 234.343 1.790 20 30 BDEDHN C=CC[C@H]1CCN1C(=O)CC1CCN(C)CC1 ZINC000890557387 582477289 /nfs/dbraw/zinc/47/72/89/582477289.db2.gz ZHGNMPPFQIEIQV-ZDUSSCGKSA-N 0 3 236.359 1.895 20 30 BDEDHN CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C)C1 ZINC000855360262 588829286 /nfs/dbraw/zinc/82/92/86/588829286.db2.gz DGJLZHKNHYATHC-GFCCVEGCSA-N 0 3 236.359 1.589 20 30 BDEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(CC)C1 ZINC000855485977 588837902 /nfs/dbraw/zinc/83/79/02/588837902.db2.gz IXDBCIGXYXYHIK-ZDUSSCGKSA-N 0 3 234.343 1.343 20 30 BDEDHN C=C1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000892329810 582853104 /nfs/dbraw/zinc/85/31/04/582853104.db2.gz CWERTDARSFBLML-GFCCVEGCSA-N 0 3 237.347 1.442 20 30 BDEDHN C[C@@H](CC#N)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892766788 582978577 /nfs/dbraw/zinc/97/85/77/582978577.db2.gz OMWZJBFPDDYVBG-GWCFXTLKSA-N 0 3 235.331 1.137 20 30 BDEDHN C#CCCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892775153 582979748 /nfs/dbraw/zinc/97/97/48/582979748.db2.gz WWNMNPBGQAVBDK-CQSZACIVSA-N 0 3 234.343 1.390 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)N(CC)C[C@H](C)C#N ZINC000852103152 583001291 /nfs/dbraw/zinc/00/12/91/583001291.db2.gz YMXMJNVTXSGGEK-OCCSQVGLSA-N 0 3 249.358 1.386 20 30 BDEDHN C=CCCCC(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000856409686 588872353 /nfs/dbraw/zinc/87/23/53/588872353.db2.gz WUYVJGVCAJNFFU-NWDGAFQWSA-N 0 3 224.348 1.942 20 30 BDEDHN C[C@@H]1CCCCN1N=C1CCN(CCO)CC1 ZINC000853385039 583046246 /nfs/dbraw/zinc/04/62/46/583046246.db2.gz PIIOSPFISMAATE-GFCCVEGCSA-N 0 3 239.363 1.305 20 30 BDEDHN C#CCCCNCc1ccc(OCCOC)o1 ZINC000893093762 583048400 /nfs/dbraw/zinc/04/84/00/583048400.db2.gz YDMKMAZJPJNPPD-UHFFFAOYSA-N 0 3 237.299 1.808 20 30 BDEDHN C=CC[C@@H](CO)CNCc1cn(CC)nc1C ZINC000893285786 583086044 /nfs/dbraw/zinc/08/60/44/583086044.db2.gz ZZAPSLFCHWCPHS-GFCCVEGCSA-N 0 3 237.347 1.486 20 30 BDEDHN C#C[C@H](NCCCn1ccnc1C)[C@H]1CCCO1 ZINC000775792704 583104685 /nfs/dbraw/zinc/10/46/85/583104685.db2.gz SMFUWTQYXZZTLG-UONOGXRCSA-N 0 3 247.342 1.352 20 30 BDEDHN CCO[C@@H]1C[C@H](NCCCC#N)[C@H]1OC ZINC000893514068 583155492 /nfs/dbraw/zinc/15/54/92/583155492.db2.gz JEHHPMQRAISRFW-HBNTYKKESA-N 0 3 212.293 1.072 20 30 BDEDHN N#CCC1(CNc2ccncc2CO)CC1 ZINC000893648840 583186921 /nfs/dbraw/zinc/18/69/21/583186921.db2.gz MJWJNCAGRZQFSG-UHFFFAOYSA-N 0 3 217.272 1.102 20 30 BDEDHN CN1C[C@H]2CCN(c3cccc(F)c3C#N)[C@@H]2C1 ZINC000893939152 583254633 /nfs/dbraw/zinc/25/46/33/583254633.db2.gz HYPRGEJTWUIQNK-QMTHXVAHSA-N 0 3 245.301 1.838 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@H](C)C(F)F)CC1 ZINC000894049286 583288473 /nfs/dbraw/zinc/28/84/73/583288473.db2.gz DZZBWBLAQZBXJV-VIFPVBQESA-N 0 3 244.285 1.101 20 30 BDEDHN N#CCCN[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000894082277 583294556 /nfs/dbraw/zinc/29/45/56/583294556.db2.gz CDAUSBRWUPPGHR-PREPNJAASA-N 0 3 206.289 1.303 20 30 BDEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc[nH]1 ZINC000857236398 588900076 /nfs/dbraw/zinc/90/00/76/588900076.db2.gz DFMQKQNSTDVFNO-GHMZBOCLSA-N 0 3 235.331 1.966 20 30 BDEDHN C=CC[C@@H](C)[C@@H](C)NCc1cn(C)nn1 ZINC000389975351 583410627 /nfs/dbraw/zinc/41/06/27/583410627.db2.gz FEIVQTWVIJBFKD-NXEZZACHSA-N 0 3 208.309 1.505 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@@H](C)C[C@H]1CO ZINC000879148749 583419341 /nfs/dbraw/zinc/41/93/41/583419341.db2.gz AAPKSIYYSMVKNQ-UTUOFQBUSA-N 0 3 226.320 1.008 20 30 BDEDHN C=C[C@H](C)NC[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894333240 583425676 /nfs/dbraw/zinc/42/56/76/583425676.db2.gz VMPBAONNBYPEOH-FXQIFTODSA-N 0 3 219.231 1.205 20 30 BDEDHN C#C[C@@H](N[C@H]1COC2(CCC2)C1)C(C)C ZINC000894387023 583443308 /nfs/dbraw/zinc/44/33/08/583443308.db2.gz HKPFCIRKBBWGLJ-VXGBXAGGSA-N 0 3 207.317 1.945 20 30 BDEDHN C#C[C@H](C)NC[C@H]1C[C@@]1(C)Br ZINC000894385271 583443362 /nfs/dbraw/zinc/44/33/62/583443362.db2.gz YJGGSYSCNMDEFC-DJLDLDEBSA-N 0 3 216.122 1.771 20 30 BDEDHN C#CCCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841858691 583449294 /nfs/dbraw/zinc/44/92/94/583449294.db2.gz CIGPBLRHPJRDAD-NWDGAFQWSA-N 0 3 237.347 1.182 20 30 BDEDHN C=CCCCNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000894511672 583475584 /nfs/dbraw/zinc/47/55/84/583475584.db2.gz PFZQCWHBUWBSLR-VXGBXAGGSA-N 0 3 237.347 1.298 20 30 BDEDHN C#C[C@H](N[C@H](C)COC(C)=O)C(C)(C)C ZINC000894517646 583476593 /nfs/dbraw/zinc/47/65/93/583476593.db2.gz NJCQHUULHRPPBE-KOLCDFICSA-N 0 3 211.305 1.576 20 30 BDEDHN C#CCN(C)CCCNCc1ccc(OC)o1 ZINC000894639133 583498375 /nfs/dbraw/zinc/49/83/75/583498375.db2.gz KULRNGUCLOCCKV-UHFFFAOYSA-N 0 3 236.315 1.333 20 30 BDEDHN C=CCC[C@H](CO)NCc1cnn(C)c1C1CC1 ZINC000894770660 583516557 /nfs/dbraw/zinc/51/65/57/583516557.db2.gz XVICMBMMWVWTOG-CYBMUJFWSA-N 0 3 249.358 1.714 20 30 BDEDHN CO[C@@H]1COCC[C@H]1N(C)CC1(CC#N)CC1 ZINC000880434627 583532943 /nfs/dbraw/zinc/53/29/43/583532943.db2.gz FFCFQYYUKOTAOB-VXGBXAGGSA-N 0 3 238.331 1.416 20 30 BDEDHN C#CCOc1ccc(CNC[C@H]2COCO2)cc1 ZINC000894873135 583540459 /nfs/dbraw/zinc/54/04/59/583540459.db2.gz NOVDIDDDXSPKLQ-AWEZNQCLSA-N 0 3 247.294 1.161 20 30 BDEDHN COc1ccc(CNC[C@@H]2COCO2)cc1C#N ZINC000894872481 583540616 /nfs/dbraw/zinc/54/06/16/583540616.db2.gz JNABYMLPFCQQMP-GFCCVEGCSA-N 0 3 248.282 1.029 20 30 BDEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302712 583550091 /nfs/dbraw/zinc/55/00/91/583550091.db2.gz HBSPXMWMFZQUCI-NSHDSACASA-N 0 3 245.286 1.591 20 30 BDEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302711 583550409 /nfs/dbraw/zinc/55/04/09/583550409.db2.gz HBSPXMWMFZQUCI-LLVKDONJSA-N 0 3 245.286 1.591 20 30 BDEDHN CC(=O)OC[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000895010607 583567376 /nfs/dbraw/zinc/56/73/76/583567376.db2.gz SPCHWGSSINKWGR-DVVUODLYSA-N 0 3 210.277 1.220 20 30 BDEDHN CCC[C@H]1CN(c2nc(C)cc(C#N)n2)CCN1 ZINC000895059918 583576324 /nfs/dbraw/zinc/57/63/24/583576324.db2.gz YLXGWNFZSSBWOR-NSHDSACASA-N 0 3 245.330 1.235 20 30 BDEDHN C=C(C)CCNC(=O)NCCN1CCC[C@@H]1C ZINC000895146309 583604497 /nfs/dbraw/zinc/60/44/97/583604497.db2.gz FBYZLZQDNLNVGM-LBPRGKRZSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(C)CCNC(=O)NCCN1CCC[C@H]1C ZINC000895146307 583604524 /nfs/dbraw/zinc/60/45/24/583604524.db2.gz FBYZLZQDNLNVGM-GFCCVEGCSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(C)CCNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895147474 583605372 /nfs/dbraw/zinc/60/53/72/583605372.db2.gz SDXWMTHRHOGNGA-VXGBXAGGSA-N 0 3 237.347 1.298 20 30 BDEDHN CC1=CC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895157794 583607813 /nfs/dbraw/zinc/60/78/13/583607813.db2.gz FRXSFHGWYUPAMP-GHMZBOCLSA-N 0 3 224.304 1.455 20 30 BDEDHN O=C1[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CCCN1[O-] ZINC000895156748 583607848 /nfs/dbraw/zinc/60/78/48/583607848.db2.gz FVPZFPHAFSDXFL-NOOOWODRSA-N 0 3 238.331 1.535 20 30 BDEDHN CC[C@@H](C)C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158949 583608899 /nfs/dbraw/zinc/60/88/99/583608899.db2.gz ADOOUAHGXFKMSQ-RKDXNWHRSA-N 0 3 200.282 1.002 20 30 BDEDHN CC1(C[NH2+][C@@H]2CCCN([O-])C2=O)CCC1 ZINC000895160240 583608912 /nfs/dbraw/zinc/60/89/12/583608912.db2.gz LLGZBOFSFSYJFI-SECBINFHSA-N 0 3 212.293 1.146 20 30 BDEDHN CCCCC[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159836 583608914 /nfs/dbraw/zinc/60/89/14/583608914.db2.gz JCHHYWAZMNZGSV-QWRGUYRKSA-N 0 3 228.336 1.925 20 30 BDEDHN CCCC[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160698 583609498 /nfs/dbraw/zinc/60/94/98/583609498.db2.gz OPCJPXZTYHZXER-ZJUUUORDSA-N 0 3 214.309 1.535 20 30 BDEDHN C[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895160613 583609590 /nfs/dbraw/zinc/60/95/90/583609590.db2.gz MYLZTSFZBGTHAN-WCQYABFASA-N 0 3 248.326 1.760 20 30 BDEDHN CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161086 583609805 /nfs/dbraw/zinc/60/98/05/583609805.db2.gz DPHXHNQQJWEAAL-UTUOFQBUSA-N 0 3 240.347 1.925 20 30 BDEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@H]1CC1(C)C ZINC000895161303 583610332 /nfs/dbraw/zinc/61/03/32/583610332.db2.gz REAPUGHFSUPHSK-AEJSXWLSSA-N 0 3 226.320 1.391 20 30 BDEDHN C[C@H](CC1CC1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161892 583610564 /nfs/dbraw/zinc/61/05/64/583610564.db2.gz VHOYKTPPIJIEFP-PSASIEDQSA-N 0 3 212.293 1.145 20 30 BDEDHN C[C@H](CC1CC1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161893 583610596 /nfs/dbraw/zinc/61/05/96/583610596.db2.gz VHOYKTPPIJIEFP-SCZZXKLOSA-N 0 3 212.293 1.145 20 30 BDEDHN O=C1[C@H]([NH2+]C[C@H]2CC=CCC2)CCCN1[O-] ZINC000895161973 583610632 /nfs/dbraw/zinc/61/06/32/583610632.db2.gz JALYTLKDCAYCSH-WDEREUQCSA-N 0 3 224.304 1.313 20 30 BDEDHN C=CCC[C@@H](CC)N[C@@H](C)C1N=NC(=O)N1C ZINC000895175946 583615697 /nfs/dbraw/zinc/61/56/97/583615697.db2.gz LHFSVMNRSSBKMW-VHSXEESVSA-N 0 3 238.335 1.916 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2c[nH]nc21 ZINC000857870835 588917162 /nfs/dbraw/zinc/91/71/62/588917162.db2.gz ZNVWYJLIEMSZKP-UHTWSYAYSA-N 0 3 247.342 1.968 20 30 BDEDHN CC(C)CCCC[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895195898 583622289 /nfs/dbraw/zinc/62/22/89/583622289.db2.gz FXYMMUMUVCZZCL-LLVKDONJSA-N 0 3 228.336 1.783 20 30 BDEDHN CCCSC[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895195892 583622505 /nfs/dbraw/zinc/62/25/05/583622505.db2.gz FTJWJNGEDRXPPZ-VHSXEESVSA-N 0 3 246.376 1.488 20 30 BDEDHN C=C[C@H](CO)NCC(C)(C)CC(=O)OCC ZINC000895340108 583654415 /nfs/dbraw/zinc/65/44/15/583654415.db2.gz HSHLGXIFOUBCCI-SNVBAGLBSA-N 0 3 229.320 1.102 20 30 BDEDHN C=C1CCC(C(=O)NC2CCN(C)CC2)CC1 ZINC000895521056 583682136 /nfs/dbraw/zinc/68/21/36/583682136.db2.gz DNQSXYHQQDMZJL-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN C=CCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895692978 583708103 /nfs/dbraw/zinc/70/81/03/583708103.db2.gz ZEJCVHBDPRNIRR-NSHDSACASA-N 0 3 225.336 1.298 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1cnc(OC)s1 ZINC000895712845 583710625 /nfs/dbraw/zinc/71/06/25/583710625.db2.gz DTCHMWMAPQKPJD-VIFPVBQESA-N 0 3 242.344 1.568 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1cnc(OC)s1 ZINC000895712844 583710674 /nfs/dbraw/zinc/71/06/74/583710674.db2.gz DTCHMWMAPQKPJD-SECBINFHSA-N 0 3 242.344 1.568 20 30 BDEDHN C[C@H]1[C@H](Nc2ccc(C#N)cc2CO)CCN1C ZINC000895733258 583716957 /nfs/dbraw/zinc/71/69/57/583716957.db2.gz AAVNWHBFKWJTHI-GXFFZTMASA-N 0 3 245.326 1.555 20 30 BDEDHN C[C@H]1[C@H](Nc2ccc(C#N)c(N)n2)CCN1C ZINC000895736905 583718068 /nfs/dbraw/zinc/71/80/68/583718068.db2.gz MCOKGEMNZGPJBF-WCBMZHEXSA-N 0 3 231.303 1.040 20 30 BDEDHN C#CC[C@H](CO)NCc1cc(O)cc(Cl)c1 ZINC000895963042 583753661 /nfs/dbraw/zinc/75/36/61/583753661.db2.gz GCYJTXXDNVYCIQ-LLVKDONJSA-N 0 3 239.702 1.519 20 30 BDEDHN CCO[C@H](CNc1cccc(C#N)n1)CN(C)C ZINC000896115557 583772096 /nfs/dbraw/zinc/77/20/96/583772096.db2.gz LYCCZTVZLUFUDM-GFCCVEGCSA-N 0 3 248.330 1.332 20 30 BDEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cncnc1C ZINC000883392395 583792583 /nfs/dbraw/zinc/79/25/83/583792583.db2.gz GRYXNXUZJBVEIN-RYUDHWBXSA-N 0 3 235.331 1.763 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1cnc(CC)nc1 ZINC000883399229 583794214 /nfs/dbraw/zinc/79/42/14/583794214.db2.gz HSNAEDYZVDEPSZ-LBPRGKRZSA-N 0 3 235.331 1.456 20 30 BDEDHN C[C@@H]1[C@H](NCc2cccc(C#N)n2)CCN1C ZINC000896555606 583812359 /nfs/dbraw/zinc/81/23/59/583812359.db2.gz PGXDRMXUWUCTRH-ZWNOBZJWSA-N 0 3 230.315 1.135 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000896617824 583818380 /nfs/dbraw/zinc/81/83/80/583818380.db2.gz KMEIICNWKDADPG-JHJVBQTASA-N 0 3 249.358 1.276 20 30 BDEDHN C=C1CC(c2noc([C@@H]3CCN(C)C3)n2)C1 ZINC000896876429 583843606 /nfs/dbraw/zinc/84/36/06/583843606.db2.gz GLHOLULCXPYMKH-SECBINFHSA-N 0 3 219.288 1.922 20 30 BDEDHN CN1CCC2(CCN2c2cncc(C#N)n2)CC1 ZINC000897133284 583883202 /nfs/dbraw/zinc/88/32/02/583883202.db2.gz IZPYKVXBDYKGKM-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN CC#CCN(C)CC(C)(C)CC(=O)OCC ZINC000897167371 583887313 /nfs/dbraw/zinc/88/73/13/583887313.db2.gz JNTJLONEIXOVIL-UHFFFAOYSA-N 0 3 225.332 1.921 20 30 BDEDHN CC1(C)CCN(CCNc2ccnc(C#N)c2)C1 ZINC000897248921 583902734 /nfs/dbraw/zinc/90/27/34/583902734.db2.gz HGYDDBPNPMSQOL-UHFFFAOYSA-N 0 3 244.342 1.519 20 30 BDEDHN C#CC[C@@H](COC)N[C@@H](C)COC(C)C ZINC000858333837 588946376 /nfs/dbraw/zinc/94/63/76/588946376.db2.gz CLJAHSHSYIPFDR-RYUDHWBXSA-N 0 3 213.321 1.428 20 30 BDEDHN C=CC[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000863207191 583983537 /nfs/dbraw/zinc/98/35/37/583983537.db2.gz BHOQMRFTPOZTQZ-NSHDSACASA-N 0 3 241.404 1.321 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cnn2c1CCC2 ZINC000858334478 588946466 /nfs/dbraw/zinc/94/64/66/588946466.db2.gz NWFREOPLDSGAGN-CYBMUJFWSA-N 0 3 247.342 1.347 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cnn(CC)c1 ZINC000858333904 588946518 /nfs/dbraw/zinc/94/65/18/588946518.db2.gz PIDXQEPJCWXGNG-ZDUSSCGKSA-N 0 3 235.331 1.421 20 30 BDEDHN C=C[C@H](C)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897442417 583984585 /nfs/dbraw/zinc/98/45/85/583984585.db2.gz FZESFZMOBQZWLD-MNOVXSKESA-N 0 3 225.336 1.202 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cncn1CC ZINC000858334583 588946692 /nfs/dbraw/zinc/94/66/92/588946692.db2.gz QHJAWZFNRSTQEL-LBPRGKRZSA-N 0 3 235.331 1.421 20 30 BDEDHN C=CC(C)(C)NC(=O)NCCN1CCC[C@H]1C ZINC000897524497 584001669 /nfs/dbraw/zinc/00/16/69/584001669.db2.gz YGSMPPXIUFDFLY-LLVKDONJSA-N 0 3 239.363 1.735 20 30 BDEDHN CCOCCOCC(=O)C(C#N)c1ccccn1 ZINC000729889658 584028274 /nfs/dbraw/zinc/02/82/74/584028274.db2.gz RWXJXRFSJHCLPE-LLVKDONJSA-N 0 3 248.282 1.311 20 30 BDEDHN C=C(C)CN1CCC(NC(=O)OC)CC1 ZINC000729975598 584032046 /nfs/dbraw/zinc/03/20/46/584032046.db2.gz POGCVCWWJSWAEB-UHFFFAOYSA-N 0 3 212.293 1.383 20 30 BDEDHN C#Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1 ZINC000897988927 584072017 /nfs/dbraw/zinc/07/20/17/584072017.db2.gz BMGBINJFMRDNBO-UHFFFAOYSA-N 0 3 242.322 1.492 20 30 BDEDHN N#Cc1cccc(CN[C@@H]2COC[C@@H]2C2CC2)n1 ZINC000898379126 584113438 /nfs/dbraw/zinc/11/34/38/584113438.db2.gz DNHOLXVOBRNBQT-ZIAGYGMSSA-N 0 3 243.310 1.468 20 30 BDEDHN C=CC(C)(C)NCc1cnn(CCOC)c1 ZINC000898457735 584137449 /nfs/dbraw/zinc/13/74/49/584137449.db2.gz SOQMHYZQNBXWDF-UHFFFAOYSA-N 0 3 223.320 1.584 20 30 BDEDHN CC[C@H]1C(=O)NCCCN1C[C@H](C)CCC#N ZINC000898558462 584141829 /nfs/dbraw/zinc/14/18/29/584141829.db2.gz PYZDPYOQTXALQO-NEPJUHHUSA-N 0 3 237.347 1.527 20 30 BDEDHN C#CC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000899077955 584175487 /nfs/dbraw/zinc/17/54/87/584175487.db2.gz FTVDMGADPPVVCR-WDEREUQCSA-N 0 3 234.299 1.458 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000899527494 584219289 /nfs/dbraw/zinc/21/92/89/584219289.db2.gz JZLKRFGNKBJOTC-MNOVXSKESA-N 0 3 244.298 1.342 20 30 BDEDHN CON(C)C(=O)[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000858580654 588968773 /nfs/dbraw/zinc/96/87/73/588968773.db2.gz TVNSXARTGJAXSJ-DCAQKATOSA-N 0 3 239.319 1.067 20 30 BDEDHN CC(=NNC1CCCC1)c1c[nH]c(N)n1 ZINC000901183599 584392571 /nfs/dbraw/zinc/39/25/71/584392571.db2.gz YXSQRGPWAHNPNU-UHFFFAOYSA-N 0 3 207.281 1.248 20 30 BDEDHN C#CCCOC(=O)N1CCC[C@H](N(C)C)C1 ZINC000858969319 588987565 /nfs/dbraw/zinc/98/75/65/588987565.db2.gz NZKOJYNQBJHKBF-NSHDSACASA-N 0 3 224.304 1.172 20 30 BDEDHN COC[C@@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902765716 584666636 /nfs/dbraw/zinc/66/66/36/584666636.db2.gz ADFVZUHDBLTMCH-QWRGUYRKSA-N 0 3 233.315 1.886 20 30 BDEDHN C[C@H](NCC1(O)CCCC1)c1cc(C#N)ccn1 ZINC000902801598 584671023 /nfs/dbraw/zinc/67/10/23/584671023.db2.gz BSHIORDWQJHXMV-NSHDSACASA-N 0 3 245.326 1.909 20 30 BDEDHN C[C@@H](NC[C@](C)(O)C1CC1)c1cc(C#N)ccn1 ZINC000902801040 584675195 /nfs/dbraw/zinc/67/51/95/584675195.db2.gz ZEWIPPSPJDQHJE-YGRLFVJLSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@H](NCCCF)c1cc(C#N)ccn1 ZINC000902882066 584688597 /nfs/dbraw/zinc/68/85/97/584688597.db2.gz TUUHDNPDMQETRE-VIFPVBQESA-N 0 3 207.252 1.963 20 30 BDEDHN C[C@H](NC[C@H]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902970381 584712341 /nfs/dbraw/zinc/71/23/41/584712341.db2.gz MKTSGVNZCQLKQO-DRZSPHRISA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cn(C)nn1 ZINC000903006543 584716888 /nfs/dbraw/zinc/71/68/88/584716888.db2.gz KHBQPFXEYJJBTM-VWYCJHECSA-N 0 3 233.319 1.548 20 30 BDEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](C)O ZINC000903008683 584717736 /nfs/dbraw/zinc/71/77/36/584717736.db2.gz RYGFZJMHHBYEDF-NHCYSSNCSA-N 0 3 233.315 1.763 20 30 BDEDHN C[C@@H](NCC1(N(C)C)CC1)c1cc(C#N)ccn1 ZINC000903022538 584720937 /nfs/dbraw/zinc/72/09/37/584720937.db2.gz JVPNPAJVFHZAFT-LLVKDONJSA-N 0 3 244.342 1.698 20 30 BDEDHN N#CC1(CN[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000903106270 584728659 /nfs/dbraw/zinc/72/86/59/584728659.db2.gz NSQUNCIVJNZFAE-LLVKDONJSA-N 0 3 220.316 1.981 20 30 BDEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903095193 584728946 /nfs/dbraw/zinc/72/89/46/584728946.db2.gz SQCCSPLDVMWJOE-DGCLKSJQSA-N 0 3 245.326 1.931 20 30 BDEDHN C=C(C)C[C@H](CO)N[C@H]1CCCc2c[nH]nc21 ZINC000903093268 584729132 /nfs/dbraw/zinc/72/91/32/584729132.db2.gz HTGZLVRPUNEERR-NEPJUHHUSA-N 0 3 235.331 1.704 20 30 BDEDHN C#CCCOC(=O)NC[C@@H]1CCCN1CCC ZINC000859158055 589011245 /nfs/dbraw/zinc/01/12/45/589011245.db2.gz YUZAFPUHTWOHHN-LBPRGKRZSA-N 0 3 238.331 1.610 20 30 BDEDHN C#C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC000874862134 584884025 /nfs/dbraw/zinc/88/40/25/584884025.db2.gz WEQVIPARYCGXMC-JOCQHMNTSA-N 0 3 248.370 1.779 20 30 BDEDHN C[C@H]1C[C@@H](O)CN1Cc1ccc(OCC#N)cc1 ZINC000761110918 584910234 /nfs/dbraw/zinc/91/02/34/584910234.db2.gz AGKMYLFBWDBFSR-WCQYABFASA-N 0 3 246.310 1.544 20 30 BDEDHN C=C(Cl)CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000831716968 584910711 /nfs/dbraw/zinc/91/07/11/584910711.db2.gz AAMGTCMGBSAQIZ-ZJUUUORDSA-N 0 3 200.713 1.375 20 30 BDEDHN C[C@H]1CC(=NOC[C@@H]2CCOC2)CCN1C ZINC000788033699 584923451 /nfs/dbraw/zinc/92/34/51/584923451.db2.gz KNDLQNYYXQZJGV-WDEREUQCSA-N 0 3 226.320 1.510 20 30 BDEDHN N#CCOc1ccc(CN2CCC[C@@H]2CO)cc1 ZINC000731211802 584923584 /nfs/dbraw/zinc/92/35/84/584923584.db2.gz BMPAUWNAIFLTBJ-CYBMUJFWSA-N 0 3 246.310 1.546 20 30 BDEDHN CON(C)C(=O)C(C#N)CCc1ccccc1 ZINC000764078025 584925396 /nfs/dbraw/zinc/92/53/96/584925396.db2.gz VLJDTXDXDIVCDL-LBPRGKRZSA-N 0 3 232.283 1.779 20 30 BDEDHN CC(C)N1CC(=NOC[C@H]2CCOC2)[C@H](C)C1 ZINC000788038512 584932736 /nfs/dbraw/zinc/93/27/36/584932736.db2.gz HXQFTMAAFFQWKY-NEPJUHHUSA-N 0 3 240.347 1.756 20 30 BDEDHN C#CCCNC(=O)NCCN(C)CCCC ZINC000733649942 584951560 /nfs/dbraw/zinc/95/15/60/584951560.db2.gz FYXCHJZQNVEYOK-UHFFFAOYSA-N 0 3 225.336 1.041 20 30 BDEDHN CCC(C)(C)N(C)CC(=O)NCCC#N ZINC000733995637 584956198 /nfs/dbraw/zinc/95/61/98/584956198.db2.gz FIYVXIXHDAOGRO-UHFFFAOYSA-N 0 3 211.309 1.137 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000819604215 585004196 /nfs/dbraw/zinc/00/41/96/585004196.db2.gz SULYIMFYRPGMTE-STQMWFEESA-N 0 3 236.359 1.657 20 30 BDEDHN COc1ccccc1[C@H](O)CNC(=O)C(C)C#N ZINC000736669160 585008895 /nfs/dbraw/zinc/00/88/95/585008895.db2.gz XRFNJKDGHWUZAA-GXSJLCMTSA-N 0 3 248.282 1.004 20 30 BDEDHN CC(C#N)C(=O)N1CCC(n2cccn2)CC1 ZINC000736672715 585009408 /nfs/dbraw/zinc/00/94/08/585009408.db2.gz LPOAJLKMCISVSM-JTQLQIEISA-N 0 3 232.287 1.206 20 30 BDEDHN CC(C#N)C(=O)NCCN1CCc2ccccc21 ZINC000736673087 585009413 /nfs/dbraw/zinc/00/94/13/585009413.db2.gz NYTKFSSEQROVRD-LLVKDONJSA-N 0 3 243.310 1.325 20 30 BDEDHN CC(C)CO[C@@H]1CC(=Nn2cnnc2)C1(C)C ZINC000737413431 585031613 /nfs/dbraw/zinc/03/16/13/585031613.db2.gz BUWRPLRRXFUVFR-LLVKDONJSA-N 0 3 236.319 1.953 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1C[C@@]1(C)C(C)C ZINC000838038363 585042936 /nfs/dbraw/zinc/04/29/36/585042936.db2.gz ZOYOINFZLZEHSG-AAEUAGOBSA-N 0 3 224.348 1.655 20 30 BDEDHN CCN(CC)CC#C[C@@H](C)OC(=O)C1CC1 ZINC000121325618 585046414 /nfs/dbraw/zinc/04/64/14/585046414.db2.gz WKKIIHDGUDRFJH-LLVKDONJSA-N 0 3 223.316 1.673 20 30 BDEDHN C#Cc1cccc(CNC(=O)NCCN(C)C)c1 ZINC000838724234 585067901 /nfs/dbraw/zinc/06/79/01/585067901.db2.gz PJZIXMMOAKMNBN-UHFFFAOYSA-N 0 3 245.326 1.029 20 30 BDEDHN C=CCCCCCN1CCCN(C=O)CC1 ZINC000839022527 585087575 /nfs/dbraw/zinc/08/75/75/585087575.db2.gz XDIOEZMAFOEGKW-UHFFFAOYSA-N 0 3 224.348 1.897 20 30 BDEDHN C#C[C@H](CC)NCC(C)(C)CC(=O)OCC ZINC000839088344 585090585 /nfs/dbraw/zinc/09/05/85/585090585.db2.gz RAAVZLADPAEHIE-LLVKDONJSA-N 0 3 225.332 1.967 20 30 BDEDHN C#CCCN1CCC(NC(=O)C(C)C)CC1 ZINC000740735819 585106159 /nfs/dbraw/zinc/10/61/59/585106159.db2.gz QKWWUZDMKHUELN-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN C[C@H]1CC(N=Nc2cnccn2)CCN1C ZINC000741459290 585113981 /nfs/dbraw/zinc/11/39/81/585113981.db2.gz ZDZYCXAWBWHLSL-VIFPVBQESA-N 0 3 219.292 1.359 20 30 BDEDHN CC(=NNC(=N)N)c1cc(C)c(F)c(C)c1 ZINC000741450947 585114133 /nfs/dbraw/zinc/11/41/33/585114133.db2.gz HKJDQXYUUQGOQW-UHFFFAOYSA-N 0 3 222.267 1.650 20 30 BDEDHN C[C@H]1CCCN1CCNC(=O)C(C)(C)C#N ZINC000742240284 585123585 /nfs/dbraw/zinc/12/35/85/585123585.db2.gz NQIBZPQBVNDNFV-JTQLQIEISA-N 0 3 223.320 1.137 20 30 BDEDHN C[C@H]1CCCN1CCNc1nccnc1C#N ZINC000742426603 585125940 /nfs/dbraw/zinc/12/59/40/585125940.db2.gz YWQJBAJRXRLHBH-JTQLQIEISA-N 0 3 231.303 1.244 20 30 BDEDHN C#CCCN1CCC(NC(=O)[C@H](C)C2CC2)CC1 ZINC000747906626 585185661 /nfs/dbraw/zinc/18/56/61/585185661.db2.gz GUMJIAXIEIYPEI-GFCCVEGCSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000748311713 585190420 /nfs/dbraw/zinc/19/04/20/585190420.db2.gz AWYLLUQTQCZOSL-CYBMUJFWSA-N 0 3 236.359 1.943 20 30 BDEDHN C[C@@H]1CCCN1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000748860808 585197218 /nfs/dbraw/zinc/19/72/18/585197218.db2.gz DCPGHWNEOUIGOG-SNVBAGLBSA-N 0 3 246.314 1.100 20 30 BDEDHN CCOC(=O)C1CCC(=Nn2cnnc2)CC1 ZINC000750908858 585221785 /nfs/dbraw/zinc/22/17/85/585221785.db2.gz CQOOUUJCAGHDIH-UHFFFAOYSA-N 0 3 236.275 1.236 20 30 BDEDHN CCC#C[C@@H](C)N1CCC2(CC1)OCCO2 ZINC000752855164 585250940 /nfs/dbraw/zinc/25/09/40/585250940.db2.gz KFTUFENNROIPHP-GFCCVEGCSA-N 0 3 223.316 1.627 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCc2occc2C1 ZINC000752904512 585251129 /nfs/dbraw/zinc/25/11/29/585251129.db2.gz XHJQMHMXWJABRO-UHFFFAOYSA-N 0 3 248.326 1.672 20 30 BDEDHN C#CCOCCN[C@@H](C)c1cccc(C#N)c1 ZINC000753772091 585268936 /nfs/dbraw/zinc/26/89/36/585268936.db2.gz XBUHQTLKCVQORH-LBPRGKRZSA-N 0 3 228.295 1.859 20 30 BDEDHN Cn1cccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753941231 585272361 /nfs/dbraw/zinc/27/23/61/585272361.db2.gz YKWHNZGIDDVFLT-VXGBXAGGSA-N 0 3 245.330 1.219 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccoc1 ZINC000753937136 585272598 /nfs/dbraw/zinc/27/25/98/585272598.db2.gz WJIQFDPDCMAJTC-GHMZBOCLSA-N 0 3 232.287 1.474 20 30 BDEDHN C#CCCN1CCC(NC(=O)C=C2CCC2)CC1 ZINC000755399448 585298962 /nfs/dbraw/zinc/29/89/62/585298962.db2.gz HKELSJVVDRIFBC-UHFFFAOYSA-N 0 3 246.354 1.701 20 30 BDEDHN CC[C@@H](C)NN=Cc1ccc(N(C)CCO)cc1 ZINC000790189375 585331102 /nfs/dbraw/zinc/33/11/02/585331102.db2.gz NNAYGSGCWARTLU-GFCCVEGCSA-N 0 3 249.358 1.837 20 30 BDEDHN C#CC(C)(C)N(C)CCC(=O)NCCCC ZINC000839581954 585331120 /nfs/dbraw/zinc/33/11/20/585331120.db2.gz YJPYIIIIWCGYED-UHFFFAOYSA-N 0 3 224.348 1.636 20 30 BDEDHN C=CC(C)(C)CNC(=S)NCCN(C)C ZINC000840797834 585331757 /nfs/dbraw/zinc/33/17/57/585331757.db2.gz YKMSCODLFPTCIC-UHFFFAOYSA-N 0 3 229.393 1.224 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000839677067 585336638 /nfs/dbraw/zinc/33/66/38/585336638.db2.gz PZWGUHROEUAWMF-DGCLKSJQSA-N 0 3 234.343 1.246 20 30 BDEDHN C#CCNC(=O)CN1CCCC[C@H]1CC(C)C ZINC000757859528 585345824 /nfs/dbraw/zinc/34/58/24/585345824.db2.gz BAKMGVNGSICKEK-ZDUSSCGKSA-N 0 3 236.359 1.636 20 30 BDEDHN CCC[C@H]1CCCN(CC(=O)NCCC#N)C1 ZINC000757850597 585346166 /nfs/dbraw/zinc/34/61/66/585346166.db2.gz VSQKRDSUQRLGMS-LBPRGKRZSA-N 0 3 237.347 1.528 20 30 BDEDHN C#CCNC(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000759923406 585382392 /nfs/dbraw/zinc/38/23/92/585382392.db2.gz QJUYESVWQMFRDX-NSHDSACASA-N 0 3 222.332 1.104 20 30 BDEDHN CCO[C@H](CC)C(=O)C(C#N)c1ccncn1 ZINC000760341626 585390688 /nfs/dbraw/zinc/39/06/88/585390688.db2.gz SPUICGMFDRVIFF-MWLCHTKSSA-N 0 3 233.271 1.468 20 30 BDEDHN C#CCCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000760372969 585391578 /nfs/dbraw/zinc/39/15/78/585391578.db2.gz GTEPBQUJYFWNNF-VXGBXAGGSA-N 0 3 222.332 1.389 20 30 BDEDHN C#CCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000760843849 585399287 /nfs/dbraw/zinc/39/92/87/585399287.db2.gz QXJMUMFQMJRUPG-KGLIPLIRSA-N 0 3 236.359 1.731 20 30 BDEDHN C#CCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000760843855 585399483 /nfs/dbraw/zinc/39/94/83/585399483.db2.gz QXJMUMFQMJRUPG-ZIAGYGMSSA-N 0 3 236.359 1.731 20 30 BDEDHN C#CCOCCN(C)Cc1ccccc1N(C)C ZINC000761110657 585410230 /nfs/dbraw/zinc/41/02/30/585410230.db2.gz UHDAQGXKTYGGOD-UHFFFAOYSA-N 0 3 246.354 1.834 20 30 BDEDHN C#CCOCCN(C)C[C@H]1CCCCO1 ZINC000761114752 585410445 /nfs/dbraw/zinc/41/04/45/585410445.db2.gz OTMCRNNBOLKERC-GFCCVEGCSA-N 0 3 211.305 1.137 20 30 BDEDHN C[C@@H]1CC(=NNCCN2CCCCC2)CN1C ZINC000761806332 585418928 /nfs/dbraw/zinc/41/89/28/585418928.db2.gz YMRJXQLRGKLQBD-GFCCVEGCSA-N 0 3 238.379 1.142 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000762689005 585435426 /nfs/dbraw/zinc/43/54/26/585435426.db2.gz HTKJCPSAJABLAN-DMDPSCGWSA-N 0 3 246.310 1.774 20 30 BDEDHN N#Cc1ccc(F)c(CN[C@H](CO)C2CC2)c1 ZINC000763089609 585443139 /nfs/dbraw/zinc/44/31/39/585443139.db2.gz ZAMGHXAUZYAKJB-CYBMUJFWSA-N 0 3 234.274 1.558 20 30 BDEDHN C=C1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763693128 585452650 /nfs/dbraw/zinc/45/26/50/585452650.db2.gz YMHKQZVPPKLDEB-LLVKDONJSA-N 0 3 221.300 1.734 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1ccccn1 ZINC000763931012 585457441 /nfs/dbraw/zinc/45/74/41/585457441.db2.gz OWXRFHSQAPXPKV-LLVKDONJSA-N 0 3 233.315 1.377 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccccc1C ZINC000763949624 585457800 /nfs/dbraw/zinc/45/78/00/585457800.db2.gz VZBQUQKKMPMGLT-UHFFFAOYSA-N 0 3 232.327 1.729 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@H](C)C1CC1 ZINC000764247118 585462928 /nfs/dbraw/zinc/46/29/28/585462928.db2.gz JQFHYVNMEBBQCC-SNVBAGLBSA-N 0 3 210.321 1.361 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000764542053 585467356 /nfs/dbraw/zinc/46/73/56/585467356.db2.gz UCWMFRKZOVELHZ-WDEREUQCSA-N 0 3 242.388 1.457 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccsc1 ZINC000764538079 585467598 /nfs/dbraw/zinc/46/75/98/585467598.db2.gz GILZDTLRRNSVCX-UHFFFAOYSA-N 0 3 210.302 1.804 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000764536858 585467691 /nfs/dbraw/zinc/46/76/91/585467691.db2.gz HAHQZFMNBZSTEM-UHFFFAOYSA-N 0 3 243.310 1.292 20 30 BDEDHN CC#CC(=O)N(C)[C@@H]1CCN(CC)C[C@H]1C ZINC000764571231 585468180 /nfs/dbraw/zinc/46/81/80/585468180.db2.gz KLRKNMUDTWEGGH-VXGBXAGGSA-N 0 3 222.332 1.198 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)CCSCC ZINC000764573027 585468259 /nfs/dbraw/zinc/46/82/59/585468259.db2.gz DZXMJCGTDLFYMZ-LLVKDONJSA-N 0 3 244.404 1.752 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC(C)(C)C[C@H](C)O ZINC000764587663 585468687 /nfs/dbraw/zinc/46/86/87/585468687.db2.gz QWOXNWAPKUTTQS-NSHDSACASA-N 0 3 242.363 1.018 20 30 BDEDHN Cc1cc(N=NC2CCN3CCC[C@H]23)ncn1 ZINC000765575801 585490201 /nfs/dbraw/zinc/49/02/01/585490201.db2.gz JDMXVBUSYHXZTR-LLVKDONJSA-N 0 3 231.303 1.421 20 30 BDEDHN C1C[C@@H]2C(=NO[C@H]3CCCCO3)CCN2C1 ZINC000765585106 585490508 /nfs/dbraw/zinc/49/05/08/585490508.db2.gz WWRQOTGXKWJFBC-NEPJUHHUSA-N 0 3 224.304 1.754 20 30 BDEDHN C#CCCCN1CCN(C2CCOCC2)CC1 ZINC000766902396 585510136 /nfs/dbraw/zinc/51/01/36/585510136.db2.gz IHPJGBIIVNMZEY-UHFFFAOYSA-N 0 3 236.359 1.196 20 30 BDEDHN C#CCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000766900511 585510325 /nfs/dbraw/zinc/51/03/25/585510325.db2.gz LKTPQHBXBKDYJS-UWVGGRQHSA-N 0 3 235.249 1.787 20 30 BDEDHN C#CCN1CCC(c2cccnc2)CC1 ZINC000768758851 585542305 /nfs/dbraw/zinc/54/23/05/585542305.db2.gz SEBWCMVKDZYBFY-UHFFFAOYSA-N 0 3 200.285 1.894 20 30 BDEDHN Cc1ccc(C)c2c1CCCC2=NNC(=N)N ZINC000769775228 585563438 /nfs/dbraw/zinc/56/34/38/585563438.db2.gz RMEDCTPKBKWFRI-UHFFFAOYSA-N 0 3 230.315 1.827 20 30 BDEDHN C[C@H]1CNC(NN=C2CC[C@H]2c2ccccc2)=N1 ZINC000769799029 585563913 /nfs/dbraw/zinc/56/39/13/585563913.db2.gz QUVRVTWXDOBBNQ-JQWIXIFHSA-N 0 3 242.326 1.857 20 30 BDEDHN FC(F)(F)CNN=C1CN2CCC1CC2 ZINC000769808366 585564148 /nfs/dbraw/zinc/56/41/48/585564148.db2.gz NMZKBLASBSRBPY-UHFFFAOYSA-N 0 3 221.226 1.220 20 30 BDEDHN C#C[C@H](C)N(C)CCCc1cnn(C)c1 ZINC000769960925 585567592 /nfs/dbraw/zinc/56/75/92/585567592.db2.gz DQTATHOVBXCJRW-NSHDSACASA-N 0 3 205.305 1.306 20 30 BDEDHN C#CCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770000253 585568999 /nfs/dbraw/zinc/56/89/99/585568999.db2.gz ANGHDACJDAXUHL-GFCCVEGCSA-N 0 3 243.372 1.299 20 30 BDEDHN CO[C@@H](C(=O)C(C#N)c1ccccn1)C(C)C ZINC000770839845 585582850 /nfs/dbraw/zinc/58/28/50/585582850.db2.gz QKRTXWFEFDBHGC-ZWNOBZJWSA-N 0 3 232.283 1.929 20 30 BDEDHN CO[C@H](C(=O)C(C#N)c1ccncn1)C(C)C ZINC000770917643 585584003 /nfs/dbraw/zinc/58/40/03/585584003.db2.gz KIYJMJBZXDNZCO-SKDRFNHKSA-N 0 3 233.271 1.324 20 30 BDEDHN C=CCN(C(C)C)[C@@H](C)C(=O)NC(=O)NCC ZINC000771791727 585600158 /nfs/dbraw/zinc/60/01/58/585600158.db2.gz RTDYKGHLWFOBQD-JTQLQIEISA-N 0 3 241.335 1.117 20 30 BDEDHN N#Cc1cccc(CN[C@H](CCO)C2CC2)c1F ZINC000771800554 585600570 /nfs/dbraw/zinc/60/05/70/585600570.db2.gz GVWUILDQXKDQQM-CYBMUJFWSA-N 0 3 248.301 1.948 20 30 BDEDHN C#CCCCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000773432095 585636692 /nfs/dbraw/zinc/63/66/92/585636692.db2.gz ODOGZJBHPGHSOS-JSGCOSHPSA-N 0 3 248.370 1.779 20 30 BDEDHN C=C(CC)CN1CCN(CCCCO)CC1 ZINC000773454764 585637278 /nfs/dbraw/zinc/63/72/78/585637278.db2.gz WCKIVOQNKPPKGV-UHFFFAOYSA-N 0 3 226.364 1.343 20 30 BDEDHN C#C[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000773595940 585641376 /nfs/dbraw/zinc/64/13/76/585641376.db2.gz HXIDPRLPUWVMEP-OLZOCXBDSA-N 0 3 249.358 1.278 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC2(CCC2)C1 ZINC000774120634 585650798 /nfs/dbraw/zinc/65/07/98/585650798.db2.gz YPKMRPGASSMCGR-UHFFFAOYSA-N 0 3 222.332 1.507 20 30 BDEDHN C#CCNC(=O)CNC(C)(C)c1cccc(C)c1 ZINC000775442868 585677900 /nfs/dbraw/zinc/67/79/00/585677900.db2.gz KBFMYUDTFJABLB-UHFFFAOYSA-N 0 3 244.338 1.569 20 30 BDEDHN C[C@H]1CCCN1CCNc1ccncc1C#N ZINC000775493212 585678502 /nfs/dbraw/zinc/67/85/02/585678502.db2.gz VLMHCRHAPIKCBC-NSHDSACASA-N 0 3 230.315 1.271 20 30 BDEDHN C#CCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000775558837 585679697 /nfs/dbraw/zinc/67/96/97/585679697.db2.gz AOZOSAXDTIVMLO-UHFFFAOYSA-N 0 3 247.317 1.756 20 30 BDEDHN C#C[C@H](N[C@@H](COC)CC(C)C)[C@@H]1CCCO1 ZINC000775574011 585680815 /nfs/dbraw/zinc/68/08/15/585680815.db2.gz MZPOCPHUHRFAOT-RDBSUJKOSA-N 0 3 239.359 1.818 20 30 BDEDHN C#C[C@H](NCCCOC(C)(C)C)[C@@H]1CCCO1 ZINC000775789918 585684580 /nfs/dbraw/zinc/68/45/80/585684580.db2.gz FBPGLQPHMWQDSO-STQMWFEESA-N 0 3 239.359 1.962 20 30 BDEDHN C#C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000775999948 585689203 /nfs/dbraw/zinc/68/92/03/585689203.db2.gz JEUSNPYIPGGJHB-JSGCOSHPSA-N 0 3 249.285 1.802 20 30 BDEDHN C[C@@H]1CC(NC(=O)CN2[C@H](C)CC[C@H]2C)=NO1 ZINC000777435744 585711970 /nfs/dbraw/zinc/71/19/70/585711970.db2.gz KOVLXWVJLPJXDY-OPRDCNLKSA-N 0 3 239.319 1.098 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778295890 585730561 /nfs/dbraw/zinc/73/05/61/585730561.db2.gz XOEKXMMJSXHPEM-QWRGUYRKSA-N 0 3 248.257 1.022 20 30 BDEDHN C=C(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000778456395 585735406 /nfs/dbraw/zinc/73/54/06/585735406.db2.gz OSXVUMSYEPFGFP-UHFFFAOYSA-N 0 3 210.321 1.505 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1C=CCCC1 ZINC000778606728 585737895 /nfs/dbraw/zinc/73/78/95/585737895.db2.gz OKRMUBSPEQROJS-NEPJUHHUSA-N 0 3 246.310 1.744 20 30 BDEDHN CN(CCCCC#N)CC(=O)NCc1ccco1 ZINC000779410965 585753819 /nfs/dbraw/zinc/75/38/19/585753819.db2.gz BUVREQKXLYKJBS-UHFFFAOYSA-N 0 3 249.314 1.521 20 30 BDEDHN CC[C@@H]1C[C@H](C=NNC2=N[C@H](C)CN2)CCO1 ZINC000779784504 585763012 /nfs/dbraw/zinc/76/30/12/585763012.db2.gz LPIZLPZLXAMVLW-GMTAPVOTSA-N 0 3 238.335 1.115 20 30 BDEDHN CCC(=NNC1=NC[C@H](C)N1)c1cccs1 ZINC000779792345 585763697 /nfs/dbraw/zinc/76/36/97/585763697.db2.gz QTRWXMHZGSVTJD-QMMMGPOBSA-N 0 3 236.344 1.800 20 30 BDEDHN C#C[C@H](NC[C@H](OCC)C1CC1)[C@H]1CCCO1 ZINC000859258284 589025496 /nfs/dbraw/zinc/02/54/96/589025496.db2.gz LVWWPSFFKUBLAY-MJBXVCDLSA-N 0 3 237.343 1.572 20 30 BDEDHN COc1ccc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000780275486 585776400 /nfs/dbraw/zinc/77/64/00/585776400.db2.gz XZYOISKDLFAZBC-GFCCVEGCSA-N 0 3 246.314 1.726 20 30 BDEDHN C#CCCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000780406608 585778821 /nfs/dbraw/zinc/77/88/21/585778821.db2.gz PWNTUIFNTXYYSP-ZDUSSCGKSA-N 0 3 248.370 1.923 20 30 BDEDHN C#CCCCCCC(=O)N1CCCN(C)CC1 ZINC000780686934 585783317 /nfs/dbraw/zinc/78/33/17/585783317.db2.gz IRKUXDOPYJWPKQ-UHFFFAOYSA-N 0 3 236.359 1.734 20 30 BDEDHN N=C(N)N=NC1CC(c2cccc(F)c2)C1 ZINC000781589233 585799916 /nfs/dbraw/zinc/79/99/16/585799916.db2.gz GRJWEJXRUDYPSQ-UHFFFAOYSA-N 0 3 220.251 1.542 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)[C@H]2CCCC[C@H]12 ZINC000782504650 585819342 /nfs/dbraw/zinc/81/93/42/585819342.db2.gz RSCLJFVCRMXTLD-UPJWGTAASA-N 0 3 249.358 1.527 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000782620121 585822847 /nfs/dbraw/zinc/82/28/47/585822847.db2.gz LFCCNQATTKQSDQ-DFBGVHRSSA-N 0 3 242.322 1.933 20 30 BDEDHN N=C(N)NN=Cc1cc(Cl)cc2c1OCC2 ZINC000782900574 585825704 /nfs/dbraw/zinc/82/57/04/585825704.db2.gz MBPTYIYZVNRJNY-UHFFFAOYSA-N 0 3 238.678 1.092 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)CC(C)(C)C1 ZINC000784347227 585856484 /nfs/dbraw/zinc/85/64/84/585856484.db2.gz BTAMFBJGNKXBCB-NSHDSACASA-N 0 3 237.347 1.384 20 30 BDEDHN C=CCCCCCOC(=O)C1CCN(C)C1=O ZINC000784786955 585866088 /nfs/dbraw/zinc/86/60/88/585866088.db2.gz NANJSBJVRJKUNJ-LLVKDONJSA-N 0 3 239.315 1.754 20 30 BDEDHN C#CCCN1CCN(CC[C@H]2CCCO2)CC1 ZINC000787271916 585904145 /nfs/dbraw/zinc/90/41/45/585904145.db2.gz MRSRGWLKLBVHJY-CQSZACIVSA-N 0 3 236.359 1.196 20 30 BDEDHN C=CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC000787367059 585907915 /nfs/dbraw/zinc/90/79/15/585907915.db2.gz JXKZLRRIUMPIEA-UHFFFAOYSA-N 0 3 210.321 1.505 20 30 BDEDHN C#C[C@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000788203989 585919343 /nfs/dbraw/zinc/91/93/43/585919343.db2.gz YFQSNRTVVHOHSF-AWEZNQCLSA-N 0 3 247.338 1.816 20 30 BDEDHN c1cc(CCN=NC2CCN3CCC[C@H]23)ccn1 ZINC000789097791 585935182 /nfs/dbraw/zinc/93/51/82/585935182.db2.gz UZFGIAPGADLTJB-CQSZACIVSA-N 0 3 244.342 1.438 20 30 BDEDHN C[C@@H]1CC(=NNCCc2ccncc2)CCN1C ZINC000789097096 585935257 /nfs/dbraw/zinc/93/52/57/585935257.db2.gz LRODTJUDQIVMQE-GFCCVEGCSA-N 0 3 246.358 1.684 20 30 BDEDHN CSC1(C(=O)C(C#N)c2ccncn2)CC1 ZINC000789425082 585942495 /nfs/dbraw/zinc/94/24/95/585942495.db2.gz FJLTVEQJPKDKQN-MRVPVSSYSA-N 0 3 233.296 1.548 20 30 BDEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)NCCC#N)C1 ZINC000789452731 585943210 /nfs/dbraw/zinc/94/32/10/585943210.db2.gz VTCKRZSGRNEMBH-IJLUTSLNSA-N 0 3 237.347 1.383 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000791311477 585976935 /nfs/dbraw/zinc/97/69/35/585976935.db2.gz ZABYOVPVEGYPCT-UHFFFAOYSA-N 0 3 242.322 1.272 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCn2cccc2[C@H]1C ZINC000791316467 585977065 /nfs/dbraw/zinc/97/70/65/585977065.db2.gz HUQWBCVAWVEAQW-GFCCVEGCSA-N 0 3 247.342 1.509 20 30 BDEDHN C#CCCN1CCN(CCCCCF)CC1 ZINC000792870518 586006020 /nfs/dbraw/zinc/00/60/20/586006020.db2.gz IKORKHDZZPYUHP-UHFFFAOYSA-N 0 3 226.339 1.767 20 30 BDEDHN COc1ccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)cc1 ZINC000794154189 586033634 /nfs/dbraw/zinc/03/36/34/586033634.db2.gz UOEABNFZTSVWTR-JIMOISOXSA-N 0 3 244.294 1.827 20 30 BDEDHN C#CC(C)(C)N(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000794578622 586045054 /nfs/dbraw/zinc/04/50/54/586045054.db2.gz BNSNPDARFGWNKV-NSHDSACASA-N 0 3 243.372 1.155 20 30 BDEDHN COCCN(C)N=C1CCN(C)[C@H](C)C1 ZINC000794962910 586057998 /nfs/dbraw/zinc/05/79/98/586057998.db2.gz AZSSXGGTUYWUQP-SNVBAGLBSA-N 0 3 213.325 1.035 20 30 BDEDHN COC(=O)[C@H]1[C@@H]2CN(CCC(C)(C)C#N)C[C@@H]21 ZINC000794967538 586059384 /nfs/dbraw/zinc/05/93/84/586059384.db2.gz MJONRHFNDTYWJX-URLYPYJESA-N 0 3 236.315 1.277 20 30 BDEDHN N#CCCNC(=O)CN(CC1CC1)C1CCC1 ZINC000796577166 586107435 /nfs/dbraw/zinc/10/74/35/586107435.db2.gz MMHGLDZZEDPSEG-UHFFFAOYSA-N 0 3 235.331 1.281 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@@H](C)CC ZINC000796797030 586112434 /nfs/dbraw/zinc/11/24/34/586112434.db2.gz GNKGXYCZTIUNCL-WDEREUQCSA-N 0 3 236.315 1.824 20 30 BDEDHN CN(C)C1(C(=O)NCC2(CC#N)CC2)CCC1 ZINC000797768701 586131051 /nfs/dbraw/zinc/13/10/51/586131051.db2.gz SAWMMAPKLZVOFN-UHFFFAOYSA-N 0 3 235.331 1.281 20 30 BDEDHN C=C[C@@H](OC(=O)C1CCN(C)C1=O)C(C)(C)C ZINC000798902189 586153167 /nfs/dbraw/zinc/15/31/67/586153167.db2.gz UUZOHNCIAAQINB-VHSXEESVSA-N 0 3 239.315 1.609 20 30 BDEDHN c1nncn1N=C1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000799105188 586156428 /nfs/dbraw/zinc/15/64/28/586156428.db2.gz OKYCGSLFSGEORQ-MNOVXSKESA-N 0 3 234.303 1.709 20 30 BDEDHN CC#CCN1CC[C@@H](c2ccccn2)C1 ZINC000799192286 586166465 /nfs/dbraw/zinc/16/64/65/586166465.db2.gz AHQQYOVIGKPHNM-GFCCVEGCSA-N 0 3 200.285 1.894 20 30 BDEDHN CC(C#N)C(=O)N[C@H](CCO)Cc1ccccc1 ZINC000799800264 586196889 /nfs/dbraw/zinc/19/68/89/586196889.db2.gz MRMMQKGPNWUKAX-WCQYABFASA-N 0 3 246.310 1.256 20 30 BDEDHN C#CCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800457974 586220743 /nfs/dbraw/zinc/22/07/43/586220743.db2.gz QRUDWRBFCQTBHG-GFCCVEGCSA-N 0 3 243.372 1.299 20 30 BDEDHN C=CC[C@@H]1CCN(C[C@H]2CN(CC)C(=O)O2)C1 ZINC000859445133 589037594 /nfs/dbraw/zinc/03/75/94/589037594.db2.gz BWATUZGVJKOANN-NEPJUHHUSA-N 0 3 238.331 1.725 20 30 BDEDHN C#CCCCNCc1ccnn1CCCOC ZINC000801724833 586269333 /nfs/dbraw/zinc/26/93/33/586269333.db2.gz WJVWSAWASZSEDD-UHFFFAOYSA-N 0 3 235.331 1.423 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000801933977 586278628 /nfs/dbraw/zinc/27/86/28/586278628.db2.gz XCZQRGWCZNEUKW-VXGBXAGGSA-N 0 3 248.330 1.518 20 30 BDEDHN Cc1ccncc1[C@@H](C)NCCO[C@H](C)C#N ZINC000801938375 586279759 /nfs/dbraw/zinc/27/97/59/586279759.db2.gz FZMIYOTXETZSNG-VXGBXAGGSA-N 0 3 233.315 1.969 20 30 BDEDHN COCC1(C)CCN(CCO[C@@H](C)C#N)CC1 ZINC000801939478 586280581 /nfs/dbraw/zinc/28/05/81/586280581.db2.gz DOFNKXWAUGZUAT-LBPRGKRZSA-N 0 3 240.347 1.664 20 30 BDEDHN C#C[C@H](NCCc1ccnn1CC)[C@H]1CCCO1 ZINC000801942460 586282014 /nfs/dbraw/zinc/28/20/14/586282014.db2.gz ASTICKLNYDWQTF-UONOGXRCSA-N 0 3 247.342 1.216 20 30 BDEDHN C=CCN1CCN(CN2CC[C@@H](C)[C@H]2C)C1=O ZINC000840026628 586383386 /nfs/dbraw/zinc/38/33/86/586383386.db2.gz SNIHQBZIQYFZQN-VXGBXAGGSA-N 0 3 237.347 1.598 20 30 BDEDHN CC#CC(=O)N(CCC)CCN1CCCC1 ZINC000804442643 586395881 /nfs/dbraw/zinc/39/58/81/586395881.db2.gz HMQGEBXWHVDSED-UHFFFAOYSA-N 0 3 222.332 1.344 20 30 BDEDHN CC#CC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000804523939 586397986 /nfs/dbraw/zinc/39/79/86/586397986.db2.gz FPVFKMVYKRNILS-RYUDHWBXSA-N 0 3 220.316 1.095 20 30 BDEDHN N#CC[C@@H](O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000809576497 586507769 /nfs/dbraw/zinc/50/77/69/586507769.db2.gz BEIRIKUDHIXUJG-UTUOFQBUSA-N 0 3 240.372 1.621 20 30 BDEDHN CCSCC[C@H](C)N(C)C[C@H](O)CC#N ZINC000809576108 586507920 /nfs/dbraw/zinc/50/79/20/586507920.db2.gz IRHVVROZGYZAMP-WDEREUQCSA-N 0 3 230.377 1.724 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000812051736 586569672 /nfs/dbraw/zinc/56/96/72/586569672.db2.gz GVUIMCFRGHKOHH-DGCLKSJQSA-N 0 3 249.358 1.134 20 30 BDEDHN CC(COC(=O)c1cccc(CC#N)c1)[N+](=O)[O-] ZINC000813106013 586592638 /nfs/dbraw/zinc/59/26/38/586592638.db2.gz XMRZMRHMDBEUKN-VIFPVBQESA-N 0 3 248.238 1.575 20 30 BDEDHN Cc1oc(C#N)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108797 586593119 /nfs/dbraw/zinc/59/31/19/586593119.db2.gz AOSVXEHDGMUKRB-LURJTMIESA-N 0 3 238.199 1.282 20 30 BDEDHN C#CCCCCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000814147198 586614903 /nfs/dbraw/zinc/61/49/03/586614903.db2.gz XLHWFNFNYXXNDL-KGLIPLIRSA-N 0 3 248.370 1.733 20 30 BDEDHN CC(=NNCCCO)c1ccc(CN(C)C)cc1 ZINC000814839262 586637815 /nfs/dbraw/zinc/63/78/15/586637815.db2.gz KSSOKPLDEKBVND-UHFFFAOYSA-N 0 3 249.358 1.444 20 30 BDEDHN C[C@@H]1CNC(NN=C2CCC[C@@H]2C(C)(C)C#N)=N1 ZINC000814898468 586645574 /nfs/dbraw/zinc/64/55/74/586645574.db2.gz TUTDZWXJNDTKEW-ZJUUUORDSA-N 0 3 247.346 1.630 20 30 BDEDHN C[C@@H]1CNC(NN=C2CCC[C@H]2C(C)(C)C#N)=N1 ZINC000814898465 586645754 /nfs/dbraw/zinc/64/57/54/586645754.db2.gz TUTDZWXJNDTKEW-NXEZZACHSA-N 0 3 247.346 1.630 20 30 BDEDHN CC(=NNC[C@H](C)O)c1ccccc1N(C)C ZINC000814962706 586660376 /nfs/dbraw/zinc/66/03/76/586660376.db2.gz RMRRQOANBXCPQT-JTQLQIEISA-N 0 3 235.331 1.447 20 30 BDEDHN CC(=NNC[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000814964073 586661027 /nfs/dbraw/zinc/66/10/27/586661027.db2.gz VHAHRZLOOQNOAF-SNVBAGLBSA-N 0 3 235.331 1.447 20 30 BDEDHN CCN(CC)c1ccc(C=NNC[C@@H](C)O)cc1 ZINC000814964030 586661346 /nfs/dbraw/zinc/66/13/46/586661346.db2.gz UNSXBTVZOBEMGK-GFCCVEGCSA-N 0 3 249.358 1.837 20 30 BDEDHN C#C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000815093748 586665680 /nfs/dbraw/zinc/66/56/80/586665680.db2.gz RKRFPGNWRKKGSE-ZUWCUPBKSA-N 0 3 237.343 1.713 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)CC1(C#N)CC1 ZINC000815594907 586688773 /nfs/dbraw/zinc/68/87/73/586688773.db2.gz BNPIDOGMUVZARK-NSHDSACASA-N 0 3 237.347 1.383 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000816820458 586766386 /nfs/dbraw/zinc/76/63/86/586766386.db2.gz NGIVOVMXCQZMIO-SNVBAGLBSA-N 0 3 228.361 1.116 20 30 BDEDHN C#CCCCC(=O)N(C)C[C@H]1CCCN1C ZINC000817495846 586808504 /nfs/dbraw/zinc/80/85/04/586808504.db2.gz QLDKDPBAHKEFGQ-GFCCVEGCSA-N 0 3 222.332 1.343 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cc(C)nc(C)c1 ZINC000817620272 586814441 /nfs/dbraw/zinc/81/44/41/586814441.db2.gz HQCBMCMMPRLLFA-UHFFFAOYSA-N 0 3 247.342 1.432 20 30 BDEDHN C=C(Cl)CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000817903371 586836312 /nfs/dbraw/zinc/83/63/12/586836312.db2.gz AAWINCKTOVKSBL-QWRGUYRKSA-N 0 3 230.739 1.096 20 30 BDEDHN C=C(C)CNC(=S)NC[C@@H]1CCCN1C ZINC000863240851 589274520 /nfs/dbraw/zinc/27/45/20/589274520.db2.gz OPWVJFUBBNNTIJ-JTQLQIEISA-N 0 3 227.377 1.121 20 30 BDEDHN C#CCN(C)CCCNC(=O)C[C@H](C)C1CC1 ZINC000818599362 586904581 /nfs/dbraw/zinc/90/45/81/586904581.db2.gz MGUUMEPVFGWLPH-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(C)CCCNC(=O)CCCC1CC1 ZINC000818608953 586906094 /nfs/dbraw/zinc/90/60/94/586906094.db2.gz AKYDRFBBXOOETC-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN COC(=O)CCCCCCNCCC#N ZINC000818947879 586916576 /nfs/dbraw/zinc/91/65/76/586916576.db2.gz TZXCTYSJFSGGHJ-UHFFFAOYSA-N 0 3 212.293 1.613 20 30 BDEDHN C#CCCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819719330 586988354 /nfs/dbraw/zinc/98/83/54/586988354.db2.gz TYKKMHCDMGYVAZ-QWHCGFSZSA-N 0 3 234.343 1.343 20 30 BDEDHN C=C[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000819729820 586989687 /nfs/dbraw/zinc/98/96/87/586989687.db2.gz NEZIPZMRENQVRY-SSDOTTSWSA-N 0 3 235.316 1.592 20 30 BDEDHN C[C@@H](NN=C1CCN(CCO)CC1)C(C)(C)C ZINC000819812206 586997254 /nfs/dbraw/zinc/99/72/54/586997254.db2.gz AGXFTKXWAOPYAP-LLVKDONJSA-N 0 3 241.379 1.455 20 30 BDEDHN C#C[C@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000820401080 587046332 /nfs/dbraw/zinc/04/63/32/587046332.db2.gz VSQDXUPXHMIJGG-RYUDHWBXSA-N 0 3 237.347 1.132 20 30 BDEDHN C=CCN1CCC(N[C@@H](C)c2cnnn2C)CC1 ZINC000820809487 587074269 /nfs/dbraw/zinc/07/42/69/587074269.db2.gz BREYHSLTHQCAFC-NSHDSACASA-N 0 3 249.362 1.116 20 30 BDEDHN C#C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000822082513 587152145 /nfs/dbraw/zinc/15/21/45/587152145.db2.gz MTOWUQHDUMDIHZ-JTQLQIEISA-N 0 3 210.321 1.102 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@@H]1SC)[C@H]1CCCO1 ZINC000822470342 587170077 /nfs/dbraw/zinc/17/00/77/587170077.db2.gz NELOPDLKDVJNBQ-QCNOEVLYSA-N 0 3 225.357 1.651 20 30 BDEDHN C#CCCCN1CCO[C@](C)(COC)C1 ZINC000860201129 589089035 /nfs/dbraw/zinc/08/90/35/589089035.db2.gz JGJXROHIBCEGQQ-LBPRGKRZSA-N 0 3 211.305 1.137 20 30 BDEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000823235500 587210431 /nfs/dbraw/zinc/21/04/31/587210431.db2.gz BPHRIYNGGZPWHC-YNEHKIRRSA-N 0 3 249.358 1.668 20 30 BDEDHN C=CCC(CC=C)c1nc(N2CCNCC2)no1 ZINC000823334860 587216615 /nfs/dbraw/zinc/21/66/15/587216615.db2.gz NJBSKQXFIWNYSR-UHFFFAOYSA-N 0 3 248.330 1.715 20 30 BDEDHN C#CC1CCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000823579312 587232290 /nfs/dbraw/zinc/23/22/90/587232290.db2.gz ARNIWRTWQITMEP-CQSZACIVSA-N 0 3 248.370 1.731 20 30 BDEDHN C=CC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823926091 587246019 /nfs/dbraw/zinc/24/60/19/587246019.db2.gz YYUJJDXRAVVUPP-UHFFFAOYSA-N 0 3 241.298 1.631 20 30 BDEDHN CC[C@@H](C)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000824872534 587291637 /nfs/dbraw/zinc/29/16/37/587291637.db2.gz UDVKVTUEVICNFS-LLVKDONJSA-N 0 3 238.331 1.811 20 30 BDEDHN C#Cc1cccc(CN[C@@H]2CCO[C@H]2C)c1 ZINC000825227073 587309976 /nfs/dbraw/zinc/30/99/76/587309976.db2.gz PRBQNILQQHCUKG-SMDDNHRTSA-N 0 3 215.296 1.935 20 30 BDEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000825749069 587337060 /nfs/dbraw/zinc/33/70/60/587337060.db2.gz MPTXBIIOPRIJNO-NSHDSACASA-N 0 3 222.332 1.245 20 30 BDEDHN C#C[C@H](C)NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000825878455 587343445 /nfs/dbraw/zinc/34/34/45/587343445.db2.gz OACSJWFCZDUZCI-WFASDCNBSA-N 0 3 245.322 1.966 20 30 BDEDHN CC(C)C#CC(=O)N(C)CCN1CCCC1 ZINC000826023764 587348713 /nfs/dbraw/zinc/34/87/13/587348713.db2.gz GCZNVAKBYHUEFK-UHFFFAOYSA-N 0 3 222.332 1.200 20 30 BDEDHN N#CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826381227 587352583 /nfs/dbraw/zinc/35/25/83/587352583.db2.gz CEQGUYWEVIYLAR-UHFFFAOYSA-N 0 3 242.286 1.260 20 30 BDEDHN CCN1CCCN(C(=O)C#CC(C)C)CC1 ZINC000826899414 587364955 /nfs/dbraw/zinc/36/49/55/587364955.db2.gz NCYYLIOARGLMGK-UHFFFAOYSA-N 0 3 222.332 1.200 20 30 BDEDHN C#Cc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827292904 587375666 /nfs/dbraw/zinc/37/56/66/587375666.db2.gz TZRNKMINNQHJHS-LSDHHAIUSA-N 0 3 227.307 1.625 20 30 BDEDHN C#C[C@@H](NCc1cc(C)nn1C)C1CCOCC1 ZINC000827555407 587387444 /nfs/dbraw/zinc/38/74/44/587387444.db2.gz SWUPJYWBIXSOSP-CQSZACIVSA-N 0 3 247.342 1.247 20 30 BDEDHN C#C[C@H](NCc1ccn(C)c1)C1CCOCC1 ZINC000827565053 587388613 /nfs/dbraw/zinc/38/86/13/587388613.db2.gz IGTXGRMJLYWPDC-AWEZNQCLSA-N 0 3 232.327 1.543 20 30 BDEDHN C#C[C@H](NCc1cccnc1C)C1CCOCC1 ZINC000827570066 587389231 /nfs/dbraw/zinc/38/92/31/587389231.db2.gz IEXZEIBSCYWNLR-HNNXBMFYSA-N 0 3 244.338 1.908 20 30 BDEDHN CC(C)(CCC#N)CN1CCCN(C=O)CC1 ZINC000827872537 587406411 /nfs/dbraw/zinc/40/64/11/587406411.db2.gz XQGCMVCHMFWYQT-UHFFFAOYSA-N 0 3 237.347 1.480 20 30 BDEDHN C#CCN(CC#C)CCC[C@H]1CCOC1 ZINC000827964094 587413648 /nfs/dbraw/zinc/41/36/48/587413648.db2.gz CUKUSEGUYAKQFK-ZDUSSCGKSA-N 0 3 205.301 1.372 20 30 BDEDHN C#C[C@@H](NCCc1cscn1)[C@@H]1CCCO1 ZINC000828955020 587475443 /nfs/dbraw/zinc/47/54/43/587475443.db2.gz ZPCDBNBPCGLFFJ-NEPJUHHUSA-N 0 3 236.340 1.456 20 30 BDEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000829768263 587514673 /nfs/dbraw/zinc/51/46/73/587514673.db2.gz AVFZIJLCKQNQKQ-NEPJUHHUSA-N 0 3 222.332 1.198 20 30 BDEDHN C#CC[C@@H]1CCCN(CCn2ccccc2=O)C1 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ZINC001480419053 982598806 /nfs/dbraw/zinc/59/88/06/982598806.db2.gz USXFAICALBVBHH-LLVKDONJSA-N 0 3 248.301 1.557 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC001353549332 982889179 /nfs/dbraw/zinc/88/91/79/982889179.db2.gz RXIPISQMAGAHBY-LLVKDONJSA-N 0 3 236.319 1.052 20 30 BDEDHN C#CCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001251888031 982937974 /nfs/dbraw/zinc/93/79/74/982937974.db2.gz NBCPUQGZYUHSQQ-VXGBXAGGSA-N 0 3 249.310 1.054 20 30 BDEDHN C=CCCNC(=S)NCCN1CCCCC1 ZINC001200438552 982995433 /nfs/dbraw/zinc/99/54/33/982995433.db2.gz BPSNKOCOHWADNW-UHFFFAOYSA-N 0 3 241.404 1.513 20 30 BDEDHN CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543824 983042990 /nfs/dbraw/zinc/04/29/90/983042990.db2.gz KMWBBPAGWCSYCV-UPJWGTAASA-N 0 3 248.370 1.777 20 30 BDEDHN C=CCCCN(CC)C(=O)C[C@H]1CNCCO1 ZINC001355585918 983523954 /nfs/dbraw/zinc/52/39/54/983523954.db2.gz IEHLXERKWQLJEQ-LBPRGKRZSA-N 0 3 240.347 1.180 20 30 BDEDHN N#Cc1ncccc1-c1cc2c(nn1)CCNC2 ZINC001242308872 983533976 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/nfs/dbraw/zinc/74/05/98/347740598.db2.gz RQSNFSPGEQJFOG-AWEZNQCLSA-N 0 3 230.311 1.846 20 30 BDEDHN C=CCCOCCNCc1cnc(C)nc1 ZINC000336732892 166270560 /nfs/dbraw/zinc/27/05/60/166270560.db2.gz JQGHGWZHDWPUBQ-UHFFFAOYSA-N 0 3 221.304 1.467 20 30 BDEDHN CCN(Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000592496885 347788465 /nfs/dbraw/zinc/78/84/65/347788465.db2.gz JQYDNPFVMJJUEK-UHFFFAOYSA-N 0 3 243.314 1.831 20 30 BDEDHN CC#CCN1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000593128924 347864852 /nfs/dbraw/zinc/86/48/52/347864852.db2.gz LXEUQWUCBDQNQL-NWDGAFQWSA-N 0 3 221.300 1.141 20 30 BDEDHN CN(CCN1CCCCC1)c1ccc(C#N)cn1 ZINC000593517395 347903545 /nfs/dbraw/zinc/90/35/45/347903545.db2.gz SWCZBHKISYZHCM-UHFFFAOYSA-N 0 3 244.342 1.875 20 30 BDEDHN CCC(C#N)C(=O)N(CCC(=O)OC)C(C)C ZINC000593465169 347900108 /nfs/dbraw/zinc/90/01/08/347900108.db2.gz KCZAOELNIYFKAL-JTQLQIEISA-N 0 3 240.303 1.336 20 30 BDEDHN CC[C@H](C#N)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000593743599 347935205 /nfs/dbraw/zinc/93/52/05/347935205.db2.gz 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BDEDHN C[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594435000 348046485 /nfs/dbraw/zinc/04/64/85/348046485.db2.gz YLLULYZOHXYGER-GHMZBOCLSA-N 0 3 223.320 1.409 20 30 BDEDHN COc1ccc2c(c1)CN(C(=O)C(C)C#N)C2 ZINC000594398893 348046649 /nfs/dbraw/zinc/04/66/49/348046649.db2.gz GJLNSABHFWSNLY-SECBINFHSA-N 0 3 230.267 1.697 20 30 BDEDHN COC[C@@H](CC(C)(C)C)NC(=O)C(C)C#N ZINC000594403042 348048083 /nfs/dbraw/zinc/04/80/83/348048083.db2.gz WMXCFEYULGQQOG-NXEZZACHSA-N 0 3 226.320 1.713 20 30 BDEDHN CC(C)(C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594426354 348051859 /nfs/dbraw/zinc/05/18/59/348051859.db2.gz CIVSIYZJNKHIDN-JTQLQIEISA-N 0 3 225.336 1.560 20 30 BDEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1N ZINC000594425715 348051894 /nfs/dbraw/zinc/05/18/94/348051894.db2.gz MNKWGUCNMAFIQS-LLVKDONJSA-N 0 3 246.314 1.619 20 30 BDEDHN CN(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594426023 348051958 /nfs/dbraw/zinc/05/19/58/348051958.db2.gz BXRHCRYQMYLTGO-SNVBAGLBSA-N 0 3 209.293 1.018 20 30 BDEDHN CC(C)[C@H](C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594447627 348056557 /nfs/dbraw/zinc/05/65/57/348056557.db2.gz ULFZRXQIOBJKBY-NEPJUHHUSA-N 0 3 239.363 1.806 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000594447868 348056579 /nfs/dbraw/zinc/05/65/79/348056579.db2.gz WJJNXVDVBYEHFK-UWVGGRQHSA-N 0 3 241.360 1.019 20 30 BDEDHN C=CC[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594447061 348056615 /nfs/dbraw/zinc/05/66/15/348056615.db2.gz SKLSBKLDVIUCFE-GHMZBOCLSA-N 0 3 223.320 1.478 20 30 BDEDHN C=C1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594452223 348058237 /nfs/dbraw/zinc/05/82/37/348058237.db2.gz FIUFNYPRMSPNFL-LBPRGKRZSA-N 0 3 235.331 1.576 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000594512195 348061274 /nfs/dbraw/zinc/06/12/74/348061274.db2.gz BZTFUBBSZXBNHN-DWZYQQQCSA-N 0 3 242.322 1.927 20 30 BDEDHN CC(C)(C)N1CC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000594724919 348108237 /nfs/dbraw/zinc/10/82/37/348108237.db2.gz RYLZVAFZWSYIDA-QWHCGFSZSA-N 0 3 248.374 1.892 20 30 BDEDHN CC[C@H]1C[C@@H](NCC2(CC#N)CC2)CO1 ZINC000594939099 348142602 /nfs/dbraw/zinc/14/26/02/348142602.db2.gz ZPPJLXIJCIMAKY-MNOVXSKESA-N 0 3 208.305 1.837 20 30 BDEDHN Cn1ncc(C2CC2)c1CNCCCC#N ZINC000594943121 348144371 /nfs/dbraw/zinc/14/43/71/348144371.db2.gz NMAAUZOKXXDITI-UHFFFAOYSA-N 0 3 218.304 1.691 20 30 BDEDHN Cn1cc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594956181 348149193 /nfs/dbraw/zinc/14/91/93/348149193.db2.gz VRESYSJQIVHHNC-UHFFFAOYSA-N 0 3 240.310 1.624 20 30 BDEDHN N#Cc1ccc(CN[C@@H](CO)C2CCC2)o1 ZINC000594956590 348149891 /nfs/dbraw/zinc/14/98/91/348149891.db2.gz LQKRQZZRKHFWQE-LBPRGKRZSA-N 0 3 220.272 1.402 20 30 BDEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CC2)o1 ZINC000594984355 348164726 /nfs/dbraw/zinc/16/47/26/348164726.db2.gz SZOGWUSBJXEKGA-NSHDSACASA-N 0 3 234.299 1.649 20 30 BDEDHN Cc1cc(CN[C@H]2C[C@H](O)C2)ccc1C#N ZINC000595001572 348169378 /nfs/dbraw/zinc/16/93/78/348169378.db2.gz XOOQNPCVQLPIEG-JOCQHMNTSA-N 0 3 216.284 1.480 20 30 BDEDHN N#CCCCN[C@H]1CCCn2nccc21 ZINC000595031930 348175327 /nfs/dbraw/zinc/17/53/27/348175327.db2.gz KBQHGCOEVOCKBV-JTQLQIEISA-N 0 3 204.277 1.611 20 30 BDEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CNC(=O)C1 ZINC000595328359 348227529 /nfs/dbraw/zinc/22/75/29/348227529.db2.gz IFVPZDKYJHDYKB-NSHDSACASA-N 0 3 237.347 1.384 20 30 BDEDHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1F ZINC000595100860 348195161 /nfs/dbraw/zinc/19/51/61/348195161.db2.gz BNFDOALEWGTYOI-FBIMIBRVSA-N 0 3 234.274 1.871 20 30 BDEDHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000595108546 348197634 /nfs/dbraw/zinc/19/76/34/348197634.db2.gz SFCCNIQYBXBKQW-KKOKHZNYSA-N 0 3 208.305 1.836 20 30 BDEDHN N#CCCN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595391692 348236814 /nfs/dbraw/zinc/23/68/14/348236814.db2.gz NELOITOAYYRMJT-KFWWJZLASA-N 0 3 247.386 1.954 20 30 BDEDHN N#CCCCN1CC[C@@H](O)CC12CCC2 ZINC000595547339 348267623 /nfs/dbraw/zinc/26/76/23/348267623.db2.gz SLCNYSWCCRWVGR-LLVKDONJSA-N 0 3 208.305 1.670 20 30 BDEDHN Cc1nc([C@@H]2CCN(CCCC#N)C2)n[nH]1 ZINC000595549566 348268547 /nfs/dbraw/zinc/26/85/47/348268547.db2.gz SZYZYLBMHWFARJ-SNVBAGLBSA-N 0 3 219.292 1.206 20 30 BDEDHN Cc1n[nH]c([C@@H]2CCN(CCCC#N)C2)n1 ZINC000595549566 348268548 /nfs/dbraw/zinc/26/85/48/348268548.db2.gz SZYZYLBMHWFARJ-SNVBAGLBSA-N 0 3 219.292 1.206 20 30 BDEDHN Cc1nnc([C@@H]2CCN(CCCC#N)C2)[nH]1 ZINC000595549566 348268551 /nfs/dbraw/zinc/26/85/51/348268551.db2.gz SZYZYLBMHWFARJ-SNVBAGLBSA-N 0 3 219.292 1.206 20 30 BDEDHN N#CCCCN(C1CC1)C1(CO)CCC1 ZINC000595533083 348274427 /nfs/dbraw/zinc/27/44/27/348274427.db2.gz FRWLNLRJKVFZMP-UHFFFAOYSA-N 0 3 208.305 1.670 20 30 BDEDHN CO[C@@H](CN1CC[C@](O)(CC#N)C1)C1CCC1 ZINC000595557216 348279176 /nfs/dbraw/zinc/27/91/76/348279176.db2.gz JFGGSIIZMRONEX-QWHCGFSZSA-N 0 3 238.331 1.152 20 30 BDEDHN CC(=O)NCCN(C)CCc1ccc(C#N)cc1 ZINC000595556916 348279299 /nfs/dbraw/zinc/27/92/99/348279299.db2.gz GXTANHIFVKODCR-UHFFFAOYSA-N 0 3 245.326 1.169 20 30 BDEDHN CSC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595622786 348291327 /nfs/dbraw/zinc/29/13/27/348291327.db2.gz CUDSEQWNWLJHRL-WDEREUQCSA-N 0 3 228.361 1.336 20 30 BDEDHN C=CCN(CCC(=O)OC(C)C)[C@H](C)COC ZINC000595646822 348296219 /nfs/dbraw/zinc/29/62/19/348296219.db2.gz LFXUMGXCHKOHTI-GFCCVEGCSA-N 0 3 243.347 1.851 20 30 BDEDHN COC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595635922 348302551 /nfs/dbraw/zinc/30/25/51/348302551.db2.gz PKVRAFQDXLQHDI-UHFFFAOYSA-N 0 3 246.310 1.946 20 30 BDEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]2C[C@@H]2C1 ZINC000595805709 348348532 /nfs/dbraw/zinc/34/85/32/348348532.db2.gz BERFRGWPKPWWPN-IJLUTSLNSA-N 0 3 235.331 1.089 20 30 BDEDHN C[C@H](O)[C@H]1CCCN1Cc1ccccc1C#N ZINC000595767656 348334808 /nfs/dbraw/zinc/33/48/08/348334808.db2.gz ZVEDYAMHYVDNED-SMDDNHRTSA-N 0 3 230.311 1.903 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(C#N)cc1C ZINC000595864153 348383823 /nfs/dbraw/zinc/38/38/23/348383823.db2.gz UIBWPVOQJXGDPF-CYBMUJFWSA-N 0 3 216.284 1.503 20 30 BDEDHN N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)nc1 ZINC000595829039 348365053 /nfs/dbraw/zinc/36/50/53/348365053.db2.gz GQXFHMOCUHBHHQ-OLZOCXBDSA-N 0 3 243.310 1.422 20 30 BDEDHN C=CCCSCCNC(=O)C1(N)CCC1 ZINC000595939200 348409712 /nfs/dbraw/zinc/40/97/12/348409712.db2.gz HOCDAJTZAHXEAB-UHFFFAOYSA-N 0 3 228.361 1.293 20 30 BDEDHN C[C@@]1(C#N)CCN(C(=O)C2(N)CCCCC2)C1 ZINC000595980078 348415132 /nfs/dbraw/zinc/41/51/32/348415132.db2.gz FDEPJDJJECQUIS-LBPRGKRZSA-N 0 3 235.331 1.410 20 30 BDEDHN C[C@]1(C#N)CCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000595982469 348417796 /nfs/dbraw/zinc/41/77/96/348417796.db2.gz VPLXIVXHEIIHAB-BXUZGUMPSA-N 0 3 249.358 1.527 20 30 BDEDHN CCN1CCC(Nc2c(C#N)cnn2C)CC1 ZINC000596063110 348436251 /nfs/dbraw/zinc/43/62/51/348436251.db2.gz SBPXBYVVWOFYJE-UHFFFAOYSA-N 0 3 233.319 1.188 20 30 BDEDHN CCCN1CC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000596066046 348436815 /nfs/dbraw/zinc/43/68/15/348436815.db2.gz NWWOIMCGFKMMBH-OLZOCXBDSA-N 0 3 234.347 1.504 20 30 BDEDHN C[C@H]1CCCCN1CCNc1cc(C#N)cnn1 ZINC000596075370 348438597 /nfs/dbraw/zinc/43/85/97/348438597.db2.gz IAEWMDMIWQGBMJ-NSHDSACASA-N 0 3 245.330 1.056 20 30 BDEDHN CN(C[C@@H]1CC1(C)C)C(=O)[C@H](N)CCCC#N ZINC000595995081 348421977 /nfs/dbraw/zinc/42/19/77/348421977.db2.gz MNTOZYBRIAQMSX-WDEREUQCSA-N 0 3 237.347 1.512 20 30 BDEDHN C[C@@H](CN(C)C)Nc1nc(C#N)c(Cl)s1 ZINC000596244071 348486023 /nfs/dbraw/zinc/48/60/23/348486023.db2.gz OOEHCTDVPKXQDL-LURJTMIESA-N 0 3 244.751 1.452 20 30 BDEDHN CCN1CCCC[C@@H]1CNc1cc(C#N)cnn1 ZINC000596118793 348442773 /nfs/dbraw/zinc/44/27/73/348442773.db2.gz DDGVMBHAWZOMCI-GFCCVEGCSA-N 0 3 245.330 1.056 20 30 BDEDHN Cn1ncc(C#N)c1NC[C@H]1CCCN(C)C1 ZINC000596119852 348443192 /nfs/dbraw/zinc/44/31/92/348443192.db2.gz QWFWQUDZDQVAQO-SNVBAGLBSA-N 0 3 233.319 1.045 20 30 BDEDHN Cc1ccc(C#N)nc1N1CC(N(C)C)C1 ZINC000596176980 348462263 /nfs/dbraw/zinc/46/22/63/348462263.db2.gz CAFKBIWWECEOPE-UHFFFAOYSA-N 0 3 216.288 1.012 20 30 BDEDHN Cc1nc(N(C)CC2CN(C)C2)ccc1C#N ZINC000596454215 348551825 /nfs/dbraw/zinc/55/18/25/348551825.db2.gz PVMQYXGTZMVCHN-UHFFFAOYSA-N 0 3 230.315 1.260 20 30 BDEDHN CCN(C(=O)NCCCC#N)[C@@H]1CCN(C)C1 ZINC000596553514 348577308 /nfs/dbraw/zinc/57/73/08/348577308.db2.gz GQGWVCFLCJOCDT-LLVKDONJSA-N 0 3 238.335 1.026 20 30 BDEDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)CC#N ZINC000596673724 348602697 /nfs/dbraw/zinc/60/26/97/348602697.db2.gz MMLXGIJAFKVZGW-QWRGUYRKSA-N 0 3 223.320 1.137 20 30 BDEDHN C[C@@H](CC#N)C(=O)NC1CCN(C2CC2)CC1 ZINC000596697911 348609434 /nfs/dbraw/zinc/60/94/34/348609434.db2.gz IWQUDOBQFPOZJQ-JTQLQIEISA-N 0 3 235.331 1.279 20 30 BDEDHN C=CCC[C@H](O)CN1C[C@H](C)O[C@@H](CC)C1 ZINC000305054448 166303717 /nfs/dbraw/zinc/30/37/17/166303717.db2.gz DQKZDSRTVCJHDI-AVGNSLFASA-N 0 3 227.348 1.813 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000597085783 348655897 /nfs/dbraw/zinc/65/58/97/348655897.db2.gz LBSXFJLQJJLEGP-RYUDHWBXSA-N 0 3 235.331 1.233 20 30 BDEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)CC#N ZINC000597205812 348678316 /nfs/dbraw/zinc/67/83/16/348678316.db2.gz JWXOPMPEUUTURY-VXGBXAGGSA-N 0 3 237.347 1.527 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000597211767 348680038 /nfs/dbraw/zinc/68/00/38/348680038.db2.gz OPQHLJDLVUEKQB-PWSUYJOCSA-N 0 3 235.331 1.231 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000597179090 348680506 /nfs/dbraw/zinc/68/05/06/348680506.db2.gz WPUTWKSSVZPCBI-STQMWFEESA-N 0 3 249.358 1.623 20 30 BDEDHN Cc1cc(CNC2([C@H](C)O)CC2)ccc1C#N ZINC000597234429 348701056 /nfs/dbraw/zinc/70/10/56/348701056.db2.gz LHNPVKHYFUYMSC-NSHDSACASA-N 0 3 230.311 1.870 20 30 BDEDHN COc1cc(CNC2([C@H](C)O)CC2)ccc1C#N ZINC000597234359 348701063 /nfs/dbraw/zinc/70/10/63/348701063.db2.gz JPNQGJJITDRGJD-JTQLQIEISA-N 0 3 246.310 1.570 20 30 BDEDHN C[C@H](O)C1(NCc2cc(C#N)cs2)CC1 ZINC000597234756 348701198 /nfs/dbraw/zinc/70/11/98/348701198.db2.gz PZIJHRAVNUNHCT-QMMMGPOBSA-N 0 3 222.313 1.623 20 30 BDEDHN CC(C#N)C(=O)N1NC(=O)CC12CCCCC2 ZINC000597649906 348774823 /nfs/dbraw/zinc/77/48/23/348774823.db2.gz SCLSZMIQRMTSHU-SECBINFHSA-N 0 3 235.287 1.112 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000597686383 348779900 /nfs/dbraw/zinc/77/99/00/348779900.db2.gz GBGGHZSUZSSPIK-WCQYABFASA-N 0 3 235.331 1.090 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729499 348792554 /nfs/dbraw/zinc/79/25/54/348792554.db2.gz KCNYGJFGLYAILC-WPRPVWTQSA-N 0 3 218.260 1.233 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000597695306 348794827 /nfs/dbraw/zinc/79/48/27/348794827.db2.gz BLZJMFLMFHPWET-JSGCOSHPSA-N 0 3 249.358 1.480 20 30 BDEDHN CC(C#N)C(=O)NCCCO[C@@H]1CCCCO1 ZINC000597597529 348767039 /nfs/dbraw/zinc/76/70/39/348767039.db2.gz BCCJMNVYQBDKKO-GHMZBOCLSA-N 0 3 240.303 1.196 20 30 BDEDHN CC(C#N)C(=O)NCCCO[C@H]1CCCCO1 ZINC000597597530 348767051 /nfs/dbraw/zinc/76/70/51/348767051.db2.gz BCCJMNVYQBDKKO-MNOVXSKESA-N 0 3 240.303 1.196 20 30 BDEDHN CC[C@@H](C#N)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000597944672 348846619 /nfs/dbraw/zinc/84/66/19/348846619.db2.gz DWIHYFSHIVCQLV-QWRGUYRKSA-N 0 3 223.320 1.089 20 30 BDEDHN C[C@@H](CC#N)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597860012 348829110 /nfs/dbraw/zinc/82/91/10/348829110.db2.gz JOSRWWYCPXTVTD-WDEREUQCSA-N 0 3 237.347 1.525 20 30 BDEDHN CC(C#N)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597921901 348836829 /nfs/dbraw/zinc/83/68/29/348836829.db2.gz GNRDYVQNPIJLDS-BXKDBHETSA-N 0 3 222.288 1.174 20 30 BDEDHN CC(C#N)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597921907 348837031 /nfs/dbraw/zinc/83/70/31/348837031.db2.gz GNRDYVQNPIJLDS-SKDRFNHKSA-N 0 3 222.288 1.174 20 30 BDEDHN CC(C)(C)N1CC[C@H](NC(=O)C(C)(C)C#N)C1 ZINC000597926282 348838020 /nfs/dbraw/zinc/83/80/20/348838020.db2.gz XLNCPOHPNIVRDJ-JTQLQIEISA-N 0 3 237.347 1.525 20 30 BDEDHN Cc1ccncc1CCNC(=O)C(C)C#N ZINC000597977313 348859903 /nfs/dbraw/zinc/85/99/03/348859903.db2.gz GQFBTVLIEXHCNK-JTQLQIEISA-N 0 3 217.272 1.208 20 30 BDEDHN CCCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000598341868 348933156 /nfs/dbraw/zinc/93/31/56/348933156.db2.gz HKALPEWGOMDQNL-NSHDSACASA-N 0 3 246.314 1.100 20 30 BDEDHN CCN(C(=O)CN(C)C(C)C)[C@H](C)C#N ZINC000598356644 348940786 /nfs/dbraw/zinc/94/07/86/348940786.db2.gz TUXRFGWNEQEDRR-SNVBAGLBSA-N 0 3 211.309 1.087 20 30 BDEDHN CCN(C(=O)CC1CCN(C)CC1)[C@@H](C)C#N ZINC000598359663 348944160 /nfs/dbraw/zinc/94/41/60/348944160.db2.gz WTGGENMATKTNOP-NSHDSACASA-N 0 3 237.347 1.479 20 30 BDEDHN CC(C)N(C)CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598131531 348898977 /nfs/dbraw/zinc/89/89/77/348898977.db2.gz ZHSCCHBOPXTLSX-SNVBAGLBSA-N 0 3 223.320 1.230 20 30 BDEDHN CC(C#N)C(=O)NCc1c(C2CC2)cnn1C ZINC000598210574 348911190 /nfs/dbraw/zinc/91/11/90/348911190.db2.gz ILFGOLJLORBENC-QMMMGPOBSA-N 0 3 232.287 1.073 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000598218650 348913278 /nfs/dbraw/zinc/91/32/78/348913278.db2.gz AKZKCNIIAZFEEQ-GZMMTYOYSA-N 0 3 248.257 1.405 20 30 BDEDHN C#CCN1CCC[C@]1(CO)Cc1ccccc1 ZINC000365150504 348986138 /nfs/dbraw/zinc/98/61/38/348986138.db2.gz JXJLDGAITHECSU-OAHLLOKOSA-N 0 3 229.323 1.689 20 30 BDEDHN CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H](C)N1 ZINC000598531696 348990955 /nfs/dbraw/zinc/99/09/55/348990955.db2.gz OVNWHPTYUUFHCS-GXSJLCMTSA-N 0 3 246.314 1.099 20 30 BDEDHN C=C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588473 348996019 /nfs/dbraw/zinc/99/60/19/348996019.db2.gz MJZRUXOAZZLQAJ-LBPRGKRZSA-N 0 3 222.332 1.939 20 30 BDEDHN CN(Cc1ccccn1)C[C@H](O)CC(C)(C)C#N ZINC000598622018 349003023 /nfs/dbraw/zinc/00/30/23/349003023.db2.gz ZFYRHYNQOUPPOE-CYBMUJFWSA-N 0 3 247.342 1.814 20 30 BDEDHN CCN(CC)CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598417070 348971455 /nfs/dbraw/zinc/97/14/55/348971455.db2.gz XZEUSCMMAYXKDD-GFCCVEGCSA-N 0 3 223.320 1.090 20 30 BDEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)C1 ZINC000598702606 349022535 /nfs/dbraw/zinc/02/25/35/349022535.db2.gz WBBYRQHUIBPZDR-JTQLQIEISA-N 0 3 210.321 1.629 20 30 BDEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C#N)ncn1 ZINC000598726650 349029967 /nfs/dbraw/zinc/02/99/67/349029967.db2.gz UFNHIZYOHVNYCG-LBPRGKRZSA-N 0 3 248.330 1.175 20 30 BDEDHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1cccc(C#N)c1 ZINC000599081518 349096040 /nfs/dbraw/zinc/09/60/40/349096040.db2.gz NZWBXPLLILLBKP-ZLKJLUDKSA-N 0 3 246.310 1.359 20 30 BDEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cnn(C)c1 ZINC000599361875 349159862 /nfs/dbraw/zinc/15/98/62/349159862.db2.gz GADFOLSINVVXIU-CMPLNLGQSA-N 0 3 248.330 1.125 20 30 BDEDHN CN(Cc1ccnc(C#N)c1)CC1(C)COC1 ZINC000599571316 349223378 /nfs/dbraw/zinc/22/33/78/349223378.db2.gz BUGBIYITPBOGRV-UHFFFAOYSA-N 0 3 231.299 1.422 20 30 BDEDHN C=C(C)C[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000274363206 192402970 /nfs/dbraw/zinc/40/29/70/192402970.db2.gz SYXJWQAEXGNVLU-LBPRGKRZSA-N 0 3 236.359 1.967 20 30 BDEDHN CC#CCN1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599687570 349244846 /nfs/dbraw/zinc/24/48/46/349244846.db2.gz DFXBAPZSGMKKKP-GHMZBOCLSA-N 0 3 223.316 1.672 20 30 BDEDHN CC(=O)NC[C@@H]1CCCCN1CCCCC#N ZINC000599699419 349248557 /nfs/dbraw/zinc/24/85/57/349248557.db2.gz FWJUVZGEZHIKAN-ZDUSSCGKSA-N 0 3 237.347 1.671 20 30 BDEDHN N#CC1(C[C@@H](O)CN2CC(CC3CC3)C2)CC1 ZINC000601959036 349400682 /nfs/dbraw/zinc/40/06/82/349400682.db2.gz KMCBGHLDLUTVDN-CYBMUJFWSA-N 0 3 234.343 1.773 20 30 BDEDHN Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000601968724 349405087 /nfs/dbraw/zinc/40/50/87/349405087.db2.gz MZGWDJNEDKHGIM-LLVKDONJSA-N 0 3 236.315 1.978 20 30 BDEDHN C=C(C)COCCNCc1cncn1C ZINC000131388085 191011966 /nfs/dbraw/zinc/01/19/66/191011966.db2.gz JXWHQVVPLUVRNJ-UHFFFAOYSA-N 0 3 209.293 1.102 20 30 BDEDHN N#Cc1cc(N[C@H]2CCN(CC3CC3)C2)ncn1 ZINC000617950234 350154719 /nfs/dbraw/zinc/15/47/19/350154719.db2.gz XUFYPEAYLFUOQB-NSHDSACASA-N 0 3 243.314 1.244 20 30 BDEDHN CC#CCCN1CCC[C@@H](C(=O)OCC)C1 ZINC000133192562 191038927 /nfs/dbraw/zinc/03/89/27/191038927.db2.gz NITVPKLFYTYKHB-GFCCVEGCSA-N 0 3 223.316 1.675 20 30 BDEDHN C=C[C@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427055732 191053015 /nfs/dbraw/zinc/05/30/15/191053015.db2.gz YBOIMTQMUZBZHP-GXSJLCMTSA-N 0 3 208.305 1.304 20 30 BDEDHN CC#CCCN1CCSC[C@H]1CC(=O)OC ZINC000156098230 191083058 /nfs/dbraw/zinc/08/30/58/191083058.db2.gz NLTLRELZRKWDRS-LLVKDONJSA-N 0 3 241.356 1.380 20 30 BDEDHN C#CCCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000365369294 350254782 /nfs/dbraw/zinc/25/47/82/350254782.db2.gz PLYOVDCELZEJML-QWHCGFSZSA-N 0 3 234.343 1.343 20 30 BDEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1CCCOC1 ZINC000355354148 350267216 /nfs/dbraw/zinc/26/72/16/350267216.db2.gz XSDKVZYHKGVZRG-RWMBFGLXSA-N 0 3 235.331 1.835 20 30 BDEDHN C=CCN(CCOC)CCC(C)(C)OC ZINC000336690727 350447189 /nfs/dbraw/zinc/44/71/89/350447189.db2.gz JLTCCMRXSCTWCJ-UHFFFAOYSA-N 0 3 215.337 1.936 20 30 BDEDHN C=CCN(CCOC)CCn1nc(C)cc1C ZINC000336698277 350452755 /nfs/dbraw/zinc/45/27/55/350452755.db2.gz VIDANAZWUMKZSE-UHFFFAOYSA-N 0 3 237.347 1.634 20 30 BDEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1O ZINC000159460985 350534739 /nfs/dbraw/zinc/53/47/39/350534739.db2.gz PWHLEABRZJCFSF-FZMZJTMJSA-N 0 3 230.311 1.761 20 30 BDEDHN C=CCOc1ccccc1CNC[C@H](C)O ZINC000006454840 191118222 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CC#CC(=O)Nc1cccc(CN(C)C)c1 ZINC000277498718 387535888 /nfs/dbraw/zinc/53/58/88/387535888.db2.gz RTAGHNYLAIMMFV-UHFFFAOYSA-N 0 3 216.284 1.710 20 30 BDEDHN C#CCN(CC[C@H]1CCOC1=O)C1CC1 ZINC000274245496 387465524 /nfs/dbraw/zinc/46/55/24/387465524.db2.gz YNLPDZSLCIUSCE-JTQLQIEISA-N 0 3 207.273 1.037 20 30 BDEDHN Cc1cccc(N(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424077362 387479523 /nfs/dbraw/zinc/47/95/23/387479523.db2.gz BMMJUYUSPCFEMJ-CYBMUJFWSA-N 0 3 245.326 1.979 20 30 BDEDHN CC(C)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424083080 387482370 /nfs/dbraw/zinc/48/23/70/387482370.db2.gz CICFVYUWCNAICX-NSHDSACASA-N 0 3 223.320 1.407 20 30 BDEDHN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424080889 387482598 /nfs/dbraw/zinc/48/25/98/387482598.db2.gz UEUWHRIDDKLGSJ-UTUOFQBUSA-N 0 3 237.347 1.512 20 30 BDEDHN CC1=C[C@H](C)CN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000430278526 387607247 /nfs/dbraw/zinc/60/72/47/387607247.db2.gz JCQUPHMENAHLOG-AAEUAGOBSA-N 0 3 249.358 1.645 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000424113633 387551035 /nfs/dbraw/zinc/55/10/35/387551035.db2.gz NSQGIZUFZMWGDQ-OLZOCXBDSA-N 0 3 249.358 1.799 20 30 BDEDHN C[C@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424118602 387559902 /nfs/dbraw/zinc/55/99/02/387559902.db2.gz BXUCQBXSDNNUDQ-NWDGAFQWSA-N 0 3 237.347 1.799 20 30 BDEDHN C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424117636 387560155 /nfs/dbraw/zinc/56/01/55/387560155.db2.gz CUFJTXPAMXDFMU-IJLUTSLNSA-N 0 3 237.347 1.655 20 30 BDEDHN C=CCNC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000426464811 387571894 /nfs/dbraw/zinc/57/18/94/387571894.db2.gz XVOMLKLHODQNHH-QWRGUYRKSA-N 0 3 208.305 1.163 20 30 BDEDHN C=CCCCCCN1CCOC[C@@H](O)C1 ZINC000399837455 387573408 /nfs/dbraw/zinc/57/34/08/387573408.db2.gz AOUWMONJRQSKPK-LBPRGKRZSA-N 0 3 213.321 1.426 20 30 BDEDHN CC(C)(C#N)CCCCN1CCOC[C@H](O)C1 ZINC000399924114 387577937 /nfs/dbraw/zinc/57/79/37/387577937.db2.gz MBYCMZFNPSYUFQ-GFCCVEGCSA-N 0 3 240.347 1.400 20 30 BDEDHN C=CCn1cc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)nn1 ZINC000527722798 387677049 /nfs/dbraw/zinc/67/70/49/387677049.db2.gz ZAXJVEBJCAOOIN-BPNCWPANSA-N 0 3 246.358 1.988 20 30 BDEDHN CC[C@@H]1CN(C(=O)C(C)C#N)[C@H](C)CO1 ZINC000403868442 387729023 /nfs/dbraw/zinc/72/90/23/387729023.db2.gz KNJFBDZBGBCNJH-OPRDCNLKSA-N 0 3 210.277 1.172 20 30 BDEDHN CC(C)N(CC(=O)NCC#N)C1CC(C)(C)C1 ZINC000452100659 387736482 /nfs/dbraw/zinc/73/64/82/387736482.db2.gz FAPLWJZUCPWTLZ-UHFFFAOYSA-N 0 3 237.347 1.525 20 30 BDEDHN CC[C@H](C)CN(C)C(=O)[C@H](N)CCCC#N ZINC000424146883 387781248 /nfs/dbraw/zinc/78/12/48/387781248.db2.gz XNHGLBJDPLEPRW-WDEREUQCSA-N 0 3 225.336 1.512 20 30 BDEDHN CCn1nncc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000527913541 387786386 /nfs/dbraw/zinc/78/63/86/387786386.db2.gz AMYMYNNYNGNMJI-MNOVXSKESA-N 0 3 233.319 1.470 20 30 BDEDHN CC(C#N)C(=O)N1CCSC(C)(C)CC1 ZINC000228670299 387795174 /nfs/dbraw/zinc/79/51/74/387795174.db2.gz INNPUSARDBGIBW-SECBINFHSA-N 0 3 226.345 1.890 20 30 BDEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1CCCCC1 ZINC000442720004 387828033 /nfs/dbraw/zinc/82/80/33/387828033.db2.gz QSQDWGRMDNQHMW-YNEHKIRRSA-N 0 3 249.358 1.669 20 30 BDEDHN COc1cc(CN[C@H]2C[C@@H](O)C2)ccc1C#N ZINC000294788820 387830250 /nfs/dbraw/zinc/83/02/50/387830250.db2.gz HJVZOJWQRJENOC-TXEJJXNPSA-N 0 3 232.283 1.180 20 30 BDEDHN CS[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000294972174 387833956 /nfs/dbraw/zinc/83/39/56/387833956.db2.gz FWBADOQVGBZZCR-LBPRGKRZSA-N 0 3 235.356 1.834 20 30 BDEDHN C[C@@H](CC(=O)N(C)C)NCc1cccc(C#N)c1 ZINC000151386578 387834598 /nfs/dbraw/zinc/83/45/98/387834598.db2.gz CFAYTGREXPBCIH-NSHDSACASA-N 0 3 245.326 1.515 20 30 BDEDHN C=CCn1cc(CN[C@H]2CC[C@H](C)C2)nn1 ZINC000424171624 387864473 /nfs/dbraw/zinc/86/44/73/387864473.db2.gz MBUSHRNTDFFMIX-QWRGUYRKSA-N 0 3 220.320 1.742 20 30 BDEDHN C=CCCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000157725129 387867492 /nfs/dbraw/zinc/86/74/92/387867492.db2.gz IEYVEJYXGMIFKB-NSHDSACASA-N 0 3 210.321 1.553 20 30 BDEDHN 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/nfs/dbraw/zinc/24/88/13/410248813.db2.gz XIEMUAOKWYNORL-ZETCQYMHSA-N 0 3 224.226 1.171 20 30 BDEDHN C=CCN(CCOC(C)C)[C@@H](C)COC ZINC000661239848 410398669 /nfs/dbraw/zinc/39/86/69/410398669.db2.gz JJLVTXBHORSRBS-LBPRGKRZSA-N 0 3 215.337 1.934 20 30 BDEDHN C=CCN(CCn1ccnc1C)[C@@H](C)COC ZINC000661240801 410401623 /nfs/dbraw/zinc/40/16/23/410401623.db2.gz RLAIBCUWZAIQEG-LBPRGKRZSA-N 0 3 237.347 1.714 20 30 BDEDHN C=CCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000665945198 487616721 /nfs/dbraw/zinc/61/67/21/487616721.db2.gz CJAVFQQVYIXPJW-NWDGAFQWSA-N 0 3 239.363 1.544 20 30 BDEDHN C#CCN(CCCO)Cc1ccccc1 ZINC000268969829 166170175 /nfs/dbraw/zinc/17/01/75/166170175.db2.gz LLUYOJCINYWCAY-UHFFFAOYSA-N 0 3 203.285 1.504 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1 ZINC000050197978 166183093 /nfs/dbraw/zinc/18/30/93/166183093.db2.gz XKGUSSVUUBVVPK-TZMCWYRMSA-N 0 3 244.338 1.865 20 30 BDEDHN C#CCN[C@]1(C)CCCC[C@H]1C(=O)OC ZINC000270366342 166193628 /nfs/dbraw/zinc/19/36/28/166193628.db2.gz APMYIAFZMBGRRN-CMPLNLGQSA-N 0 3 209.289 1.331 20 30 BDEDHN C#CCOc1ccc(CNC[C@@H](C)O)cc1 ZINC000045946076 166198778 /nfs/dbraw/zinc/19/87/78/166198778.db2.gz BFVZJAZYGUCVSL-LLVKDONJSA-N 0 3 219.284 1.169 20 30 BDEDHN C#CCOc1ccc(CNC[C@H](C)O)cc1 ZINC000045946072 166198907 /nfs/dbraw/zinc/19/89/07/166198907.db2.gz BFVZJAZYGUCVSL-NSHDSACASA-N 0 3 219.284 1.169 20 30 BDEDHN C(#Cc1ccccc1)CNC[C@H]1COCCO1 ZINC000051814213 166225378 /nfs/dbraw/zinc/22/53/78/166225378.db2.gz MTRMACPQCYDMKV-AWEZNQCLSA-N 0 3 231.295 1.043 20 30 BDEDHN C=CCCCN(C)[C@H](C)C(=O)NCC=C ZINC000121125772 166234188 /nfs/dbraw/zinc/23/41/88/166234188.db2.gz ANRSSQWGCORDCR-LLVKDONJSA-N 0 3 210.321 1.575 20 30 BDEDHN C=CCCCN[C@@H](Cc1ccccc1)C(N)=O ZINC000279892682 166244416 /nfs/dbraw/zinc/24/44/16/166244416.db2.gz UVEJHQDMGAGBIY-ZDUSSCGKSA-N 0 3 232.327 1.639 20 30 BDEDHN C=CCCN(C)[C@H](C)C(=O)NCCCC ZINC000276388746 166261788 /nfs/dbraw/zinc/26/17/88/166261788.db2.gz JCJZFEDHLVMWMT-LLVKDONJSA-N 0 3 212.337 1.799 20 30 BDEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237445455 166275356 /nfs/dbraw/zinc/27/53/56/166275356.db2.gz JYOKJFUEXLISAO-GRYCIOLGSA-N 0 3 240.347 1.176 20 30 BDEDHN C=CCC[C@@H](C)NCc1cc(C(N)=O)no1 ZINC000273429026 166293073 /nfs/dbraw/zinc/29/30/73/166293073.db2.gz SUQDAHMWIARGSP-MRVPVSSYSA-N 0 3 223.276 1.218 20 30 BDEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H](N)CC ZINC000269038814 166326766 /nfs/dbraw/zinc/32/67/66/166326766.db2.gz GMVCDQKGTXILAE-ZETCQYMHSA-N 0 3 224.226 1.301 20 30 BDEDHN C=CCN(CCCO)CCc1ccco1 ZINC000272313900 166341136 /nfs/dbraw/zinc/34/11/36/166341136.db2.gz SBFZVJXLLAYKHC-UHFFFAOYSA-N 0 3 209.289 1.693 20 30 BDEDHN C=CCN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000269736202 166352806 /nfs/dbraw/zinc/35/28/06/166352806.db2.gz ZUPGEUORJMSLEQ-GFCCVEGCSA-N 0 3 235.331 1.352 20 30 BDEDHN C=CCN1CCc2ccccc2[C@@H]1CN ZINC000082639206 166358230 /nfs/dbraw/zinc/35/82/30/166358230.db2.gz WMKOGAXVUOXQLT-ZDUSSCGKSA-N 0 3 202.301 1.731 20 30 BDEDHN C=CCNC(=O)CN(CC)C[C@H](C)CC ZINC000177851919 166366327 /nfs/dbraw/zinc/36/63/27/166366327.db2.gz SJLXBUKRDOTERZ-LLVKDONJSA-N 0 3 212.337 1.657 20 30 BDEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CCC ZINC000270690309 166375783 /nfs/dbraw/zinc/37/57/83/166375783.db2.gz FJFANKZYIDCNJO-SNVBAGLBSA-N 0 3 241.335 1.119 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](CC=C)C1 ZINC000661378744 410593996 /nfs/dbraw/zinc/59/39/96/410593996.db2.gz LMKOHXBJAFRBSY-STQMWFEESA-N 0 3 236.359 1.965 20 30 BDEDHN C=CC[C@@H]1CCCN(Cc2cnnn2C)C1 ZINC000661384365 410600190 /nfs/dbraw/zinc/60/01/90/410600190.db2.gz IMRLJJSYOZBXHP-LLVKDONJSA-N 0 3 220.320 1.603 20 30 BDEDHN C=CCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000665945583 487618977 /nfs/dbraw/zinc/61/89/77/487618977.db2.gz KQELMJDHRFTNTQ-LBPRGKRZSA-N 0 3 237.347 1.441 20 30 BDEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CO)c2cnn(C)c2)C1 ZINC000651745408 411140699 /nfs/dbraw/zinc/14/06/99/411140699.db2.gz KBJAFLVCIMEQCJ-MRVWCRGKSA-N 0 3 249.358 1.788 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccsc1 ZINC000044825252 411141096 /nfs/dbraw/zinc/14/10/96/411141096.db2.gz CHXDBMQBEFOGQM-DTWKUNHWSA-N 0 3 222.313 1.955 20 30 BDEDHN CNC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000044990296 411143097 /nfs/dbraw/zinc/14/30/97/411143097.db2.gz DVUPWBNXQKFOHX-SNVBAGLBSA-N 0 3 231.299 1.345 20 30 BDEDHN C=CC[C@H](C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655917583 411158312 /nfs/dbraw/zinc/15/83/12/411158312.db2.gz UZMUNEKFOVGWFW-BQBZGAKWSA-N 0 3 239.241 1.140 20 30 BDEDHN CCC#C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000653660262 411158542 /nfs/dbraw/zinc/15/85/42/411158542.db2.gz SVBRBUDHOQEAHN-GFCCVEGCSA-N 0 3 208.349 1.814 20 30 BDEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655517560 411190536 /nfs/dbraw/zinc/19/05/36/411190536.db2.gz FDHZASZLTMNGCY-SFYZADRCSA-N 0 3 238.253 1.595 20 30 BDEDHN CC[C@H](NCC#CCOC)[C@@H]1CCCCO1 ZINC000653874814 411205011 /nfs/dbraw/zinc/20/50/11/411205011.db2.gz LEGCZNOOZCBLGI-STQMWFEESA-N 0 3 225.332 1.574 20 30 BDEDHN CC[C@@H](NCC#CCOC)[C@H]1CCCCO1 ZINC000653874811 411205154 /nfs/dbraw/zinc/20/51/54/411205154.db2.gz LEGCZNOOZCBLGI-CHWSQXEVSA-N 0 3 225.332 1.574 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCn2nccc21 ZINC000658031217 411208275 /nfs/dbraw/zinc/20/82/75/411208275.db2.gz ZLEJDMCGGMJBDG-WZRBSPASSA-N 0 3 233.315 1.651 20 30 BDEDHN CN(c1ccc(C#N)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000611571795 411224542 /nfs/dbraw/zinc/22/45/42/411224542.db2.gz INEUBDSPZWSURO-GFCCVEGCSA-N 0 3 243.314 1.021 20 30 BDEDHN CN(Cc1ccccn1)C[C@@H](O)CC1(C#N)CC1 ZINC000599431609 411271802 /nfs/dbraw/zinc/27/18/02/411271802.db2.gz LXVTUDNPDCCMIU-ZDUSSCGKSA-N 0 3 245.326 1.568 20 30 BDEDHN C=CCOCCCN[C@@H](C)c1cnccn1 ZINC000656684891 411328101 /nfs/dbraw/zinc/32/81/01/411328101.db2.gz HXVVCXZTLJTUCJ-NSHDSACASA-N 0 3 221.304 1.720 20 30 BDEDHN C=CCOCCCN[C@H](C)c1ccncn1 ZINC000658205321 411292584 /nfs/dbraw/zinc/29/25/84/411292584.db2.gz HJERTVLIIZLPBB-LLVKDONJSA-N 0 3 221.304 1.720 20 30 BDEDHN C=CCOCCCN[C@@H](C)c1c[nH]nc1C ZINC000658211056 411295491 /nfs/dbraw/zinc/29/54/91/411295491.db2.gz ZXMVYUVCCLTOMW-JTQLQIEISA-N 0 3 223.320 1.961 20 30 BDEDHN C[C@H]1CCN(Cc2ccc(C#N)cn2)[C@H]1CO ZINC000568527748 411300662 /nfs/dbraw/zinc/30/06/62/411300662.db2.gz ZBAPWSKWMIACFM-GWCFXTLKSA-N 0 3 231.299 1.156 20 30 BDEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC1(C)C ZINC000653746467 411305691 /nfs/dbraw/zinc/30/56/91/411305691.db2.gz VDHBOQXTTOGDAG-LBPRGKRZSA-N 0 3 236.359 1.965 20 30 BDEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C#N)cc1 ZINC000129324576 168000159 /nfs/dbraw/zinc/00/01/59/168000159.db2.gz HTQDMDOMHQDFRJ-STQMWFEESA-N 0 3 230.311 1.807 20 30 BDEDHN C=CCOCCCNC(=O)C1(N)CCCCC1 ZINC000659357842 411374413 /nfs/dbraw/zinc/37/44/13/411374413.db2.gz AOGDAOZIKRQDOV-UHFFFAOYSA-N 0 3 240.347 1.357 20 30 BDEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000659330354 411395565 /nfs/dbraw/zinc/39/55/65/411395565.db2.gz XHSHCEWROCLPCX-AAEUAGOBSA-N 0 3 236.359 1.990 20 30 BDEDHN C=CCN(C(=O)CNC(C)C)[C@@H](C)COC ZINC000659339893 411398669 /nfs/dbraw/zinc/39/86/69/411398669.db2.gz NJUPASVNURVCPU-NSHDSACASA-N 0 3 228.336 1.034 20 30 BDEDHN C[C@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H](C)CN1 ZINC000086467657 411405864 /nfs/dbraw/zinc/40/58/64/411405864.db2.gz HWBGKHFGIOUXBD-QWRGUYRKSA-N 0 3 243.310 1.381 20 30 BDEDHN C=C(C)CN1CCC(NCc2nc(C)c[nH]2)CC1 ZINC000657352224 411472782 /nfs/dbraw/zinc/47/27/82/411472782.db2.gz FYTYEYQZJZECPB-UHFFFAOYSA-N 0 3 248.374 1.848 20 30 BDEDHN C=CCN1CCC(NCc2nc(C)c[nH]2)CC1 ZINC000657352449 411473223 /nfs/dbraw/zinc/47/32/23/411473223.db2.gz JISIRICRYORKLV-UHFFFAOYSA-N 0 3 234.347 1.458 20 30 BDEDHN C=C1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659910404 411495692 /nfs/dbraw/zinc/49/56/92/411495692.db2.gz SWNMEWHQOBLIHL-ZIAGYGMSSA-N 0 3 238.375 1.748 20 30 BDEDHN Cc1nnc(NCCN(C)C2CC2)c(C#N)c1C ZINC000059035236 411499183 /nfs/dbraw/zinc/49/91/83/411499183.db2.gz RDKLBEIUINKVKE-UHFFFAOYSA-N 0 3 245.330 1.471 20 30 BDEDHN C=CCCOCCNCc1cnc2n1CCC2 ZINC000657419154 411501487 /nfs/dbraw/zinc/50/14/87/411501487.db2.gz QTUGNUFBPTUHRM-UHFFFAOYSA-N 0 3 235.331 1.512 20 30 BDEDHN C=CCCOCCNCc1cnn2c1CCC2 ZINC000657419819 411501850 /nfs/dbraw/zinc/50/18/50/411501850.db2.gz YHXSXZMDOFFOIR-UHFFFAOYSA-N 0 3 235.331 1.512 20 30 BDEDHN C=CCCCNCc1cn(CCC=C)nn1 ZINC000657453938 411514620 /nfs/dbraw/zinc/51/46/20/411514620.db2.gz FIOITYCKJHJOFC-UHFFFAOYSA-N 0 3 220.320 1.910 20 30 BDEDHN C=CCCn1cc(CN[C@@H]2C[C@H]3C[C@H]3C2)nn1 ZINC000657497692 411537252 /nfs/dbraw/zinc/53/72/52/411537252.db2.gz XYDOGZLSTUHGGT-ZSBIGDGJSA-N 0 3 232.331 1.742 20 30 BDEDHN C=C(C)CN(C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660221844 411555687 /nfs/dbraw/zinc/55/56/87/411555687.db2.gz SALXDTXUVWYZGT-STQMWFEESA-N 0 3 226.364 1.604 20 30 BDEDHN C=CCOCCCNCc1cn(C)nc1C ZINC000657657766 411571941 /nfs/dbraw/zinc/57/19/41/411571941.db2.gz BOCYNQSWMDQNJY-UHFFFAOYSA-N 0 3 223.320 1.411 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@H](Cn2ccnn2)C1 ZINC000661144432 411716935 /nfs/dbraw/zinc/71/69/35/411716935.db2.gz CMLJQHPPYNPDAE-STQMWFEESA-N 0 3 232.331 1.402 20 30 BDEDHN C=C[C@@H](C)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000660881442 411662429 /nfs/dbraw/zinc/66/24/29/411662429.db2.gz LNPLFADFQUWWIW-MNOVXSKESA-N 0 3 225.336 1.344 20 30 BDEDHN C=CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000660885810 411662824 /nfs/dbraw/zinc/66/28/24/411662824.db2.gz AXXDPSAHXBOKMH-CMPLNLGQSA-N 0 3 237.347 1.344 20 30 BDEDHN C=CCN(C[C@H](COC)OC)[C@@H](C)COC ZINC000661238798 411739634 /nfs/dbraw/zinc/73/96/34/411739634.db2.gz FRHFSQIEWJBPOX-NWDGAFQWSA-N 0 3 231.336 1.171 20 30 BDEDHN C=CCN(CCc1cncn1C)[C@@H](C)COC ZINC000661238955 411739785 /nfs/dbraw/zinc/73/97/85/411739785.db2.gz ARBJUUPMPONEPT-LBPRGKRZSA-N 0 3 237.347 1.486 20 30 BDEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661264572 411745938 /nfs/dbraw/zinc/74/59/38/411745938.db2.gz UKZMWJMAFPPQMD-GFCCVEGCSA-N 0 3 239.363 1.736 20 30 BDEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000661377680 411760775 /nfs/dbraw/zinc/76/07/75/411760775.db2.gz 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C#CC[C@H](CCOC)NCc1ccncc1F ZINC000858334080 582459431 /nfs/dbraw/zinc/45/94/31/582459431.db2.gz HARMGAUXTZQJLH-GFCCVEGCSA-N 0 3 236.290 1.739 20 30 BDEDHN C=CC[C@H]1CCN1C(=O)CN(C)C(C)C ZINC000890561186 582477463 /nfs/dbraw/zinc/47/74/63/582477463.db2.gz WKUVPLGANCBSQR-NSHDSACASA-N 0 3 210.321 1.504 20 30 BDEDHN C=CCC(CC=C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112165 582589807 /nfs/dbraw/zinc/58/98/07/582589807.db2.gz CVRXTVQLVTXRCY-VIFPVBQESA-N 0 3 227.260 1.963 20 30 BDEDHN CCO[C@@H]1CC(=NNC2=N[C@@H](C)CN2)C1(C)C ZINC000779799911 582735416 /nfs/dbraw/zinc/73/54/16/582735416.db2.gz YMLCJHMPERBWOY-WCBMZHEXSA-N 0 3 238.335 1.115 20 30 BDEDHN CC[S@@](=O)CCNCc1cccc(C#N)c1 ZINC000135473347 582771238 /nfs/dbraw/zinc/77/12/38/582771238.db2.gz SZVPVIRBSOSDGH-INIZCTEOSA-N 0 3 236.340 1.416 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000855798382 588848956 /nfs/dbraw/zinc/84/89/56/588848956.db2.gz MSCCZBXRKWOUNP-SNVBAGLBSA-N 0 3 232.274 1.266 20 30 BDEDHN N#CC(C(=O)CCF)C(=O)Nc1ccccn1 ZINC000892550405 582910749 /nfs/dbraw/zinc/91/07/49/582910749.db2.gz IRCYAYUPABDQBJ-QMMMGPOBSA-N 0 3 235.218 1.089 20 30 BDEDHN C=CCOC(=O)C12CCCN(CCC1)C2 ZINC000892559157 582913650 /nfs/dbraw/zinc/91/36/50/582913650.db2.gz HEIONLCULTWIPQ-UHFFFAOYSA-N 0 3 209.289 1.592 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@]2(C)CC2(C)C)CC1 ZINC000856134948 588862280 /nfs/dbraw/zinc/86/22/80/588862280.db2.gz QNAMIIFFKIKEFF-HNNXBMFYSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CC(C)(C)NC(=O)NCCN(CC)C1CC1 ZINC000892663446 582944191 /nfs/dbraw/zinc/94/41/91/582944191.db2.gz UYNLUJXRIAGEDM-UHFFFAOYSA-N 0 3 239.363 1.735 20 30 BDEDHN C#CCCCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892775028 582979886 /nfs/dbraw/zinc/97/98/86/582979886.db2.gz WWNMNPBGQAVBDK-AWEZNQCLSA-N 0 3 234.343 1.390 20 30 BDEDHN CC(C)(C#N)CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892774640 582980404 /nfs/dbraw/zinc/98/04/04/582980404.db2.gz SZRCLJFQGRMPRG-AWEZNQCLSA-N 0 3 249.358 1.527 20 30 BDEDHN C#C[C@H](C)N(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000851989140 582990174 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/nfs/dbraw/zinc/87/83/90/588878390.db2.gz AHMMGMPJWZCYEM-CQSZACIVSA-N 0 3 247.342 1.189 20 30 BDEDHN C=CCOCCNCc1cn(CC)nc1C ZINC000893475130 583150833 /nfs/dbraw/zinc/15/08/33/583150833.db2.gz JNQRPPBJBMQAJC-UHFFFAOYSA-N 0 3 223.320 1.504 20 30 BDEDHN Cc1cc(N)nc(N[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000894042827 583286007 /nfs/dbraw/zinc/28/60/07/583286007.db2.gz NZQZYFPELZCSDQ-UWVGGRQHSA-N 0 3 231.303 1.862 20 30 BDEDHN CC1(C)CC2(CC(NCCC#N)C2)CO1 ZINC000894082808 583295704 /nfs/dbraw/zinc/29/57/04/583295704.db2.gz ISYHGNINYQSIEI-UHFFFAOYSA-N 0 3 208.305 1.837 20 30 BDEDHN Cc1cc(N)nc(NCC(C)(C)CC#N)n1 ZINC000894161233 583321209 /nfs/dbraw/zinc/32/12/09/583321209.db2.gz WUZVRAJWIFKNKH-UHFFFAOYSA-N 0 3 219.292 1.719 20 30 BDEDHN C=CC[C@H](CO)CNCc1c(C)ccnc1N ZINC000894369971 583440140 /nfs/dbraw/zinc/44/01/40/583440140.db2.gz FGXAJWXMASWMMD-NSHDSACASA-N 0 3 235.331 1.246 20 30 BDEDHN C#C[C@H](C)N[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894383473 583442974 /nfs/dbraw/zinc/44/29/74/583442974.db2.gz LYUMEEGMONJWEZ-GARJFASQSA-N 0 3 227.279 1.231 20 30 BDEDHN C#C[C@H](N[C@H]1COC2(CCC2)C1)C(C)C ZINC000894387020 583443753 /nfs/dbraw/zinc/44/37/53/583443753.db2.gz HKPFCIRKBBWGLJ-NEPJUHHUSA-N 0 3 207.317 1.945 20 30 BDEDHN C#CCCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000841858690 583449274 /nfs/dbraw/zinc/44/92/74/583449274.db2.gz CIGPBLRHPJRDAD-NEPJUHHUSA-N 0 3 237.347 1.182 20 30 BDEDHN C=CCN(C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894493823 583473846 /nfs/dbraw/zinc/47/38/46/583473846.db2.gz DVVBAMMITVPMJQ-UHFFFAOYSA-N 0 3 217.272 1.886 20 30 BDEDHN C#C[C@H](NC[C@H]1[C@H](C(=O)OC)C1(F)F)C(C)C ZINC000894737767 583515233 /nfs/dbraw/zinc/51/52/33/583515233.db2.gz HMOIRRRMPFRNKP-LPEHRKFASA-N 0 3 245.269 1.288 20 30 BDEDHN Cc1nnc([C@@H](C)NC[C@H](C)CCC#N)[nH]1 ZINC000894774857 583517256 /nfs/dbraw/zinc/51/72/56/583517256.db2.gz YGIPQHDWCLAKOD-RKDXNWHRSA-N 0 3 221.308 1.704 20 30 BDEDHN Cc1nnc([C@@H](C)[NH2+]C[C@H](C)CCC#N)[n-]1 ZINC000894774857 583517259 /nfs/dbraw/zinc/51/72/59/583517259.db2.gz YGIPQHDWCLAKOD-RKDXNWHRSA-N 0 3 221.308 1.704 20 30 BDEDHN C#Cc1cccc(CNC2CCS(=O)CC2)c1 ZINC000894775050 583517712 /nfs/dbraw/zinc/51/77/12/583517712.db2.gz CRDZVBVPJFHEHT-UHFFFAOYSA-N 0 3 247.363 1.669 20 30 BDEDHN CC(C)Cc1cc(NCC#CCN(C)C)ncn1 ZINC000894875439 583540763 /nfs/dbraw/zinc/54/07/63/583540763.db2.gz CGGYKMIPQSCZIM-UHFFFAOYSA-N 0 3 246.358 1.652 20 30 BDEDHN C=CCC[C@@H](CO)NCc1ocnc1C ZINC000894929524 583557444 /nfs/dbraw/zinc/55/74/44/583557444.db2.gz PGYFFXDHGGBBBF-JTQLQIEISA-N 0 3 210.277 1.400 20 30 BDEDHN CCC[C@@H]1CN(c2ccc(C#N)cn2)CCN1 ZINC000895057043 583575152 /nfs/dbraw/zinc/57/51/52/583575152.db2.gz CZUBKPISMJNAFL-GFCCVEGCSA-N 0 3 230.315 1.532 20 30 BDEDHN C#CC1CCN(Cc2c(C)ccnc2N)CC1 ZINC000895085448 583584392 /nfs/dbraw/zinc/58/43/92/583584392.db2.gz LKQZEWJFHTVGJZ-UHFFFAOYSA-N 0 3 229.327 1.817 20 30 BDEDHN CC1(C[NH2+][C@@H]2CCCN([O-])C2=O)CCCC1 ZINC000895156956 583607754 /nfs/dbraw/zinc/60/77/54/583607754.db2.gz JGADFULAURQXEF-SNVBAGLBSA-N 0 3 226.320 1.537 20 30 BDEDHN C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895158760 583608606 /nfs/dbraw/zinc/60/86/06/583608606.db2.gz NPVTXEPURJZHNU-RHYQMDGZSA-N 0 3 240.347 1.781 20 30 BDEDHN O=C1[C@H]([NH2+][C@@H]2CCC23CCC3)CCCN1[O-] ZINC000895158795 583608647 /nfs/dbraw/zinc/60/86/47/583608647.db2.gz OFZHAYNEZRFQEW-NXEZZACHSA-N 0 3 224.304 1.289 20 30 BDEDHN O=C1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CCCN1[O-] ZINC000895159719 583609000 /nfs/dbraw/zinc/60/90/00/583609000.db2.gz XUBXLGGPJHOBFO-QJPTWQEYSA-N 0 3 238.331 1.535 20 30 BDEDHN C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895160196 583609083 /nfs/dbraw/zinc/60/90/83/583609083.db2.gz KTBDVVAEGGONQR-WOPDTQHZSA-N 0 3 240.347 1.783 20 30 BDEDHN O=C1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CCCN1[O-] ZINC000895159720 583609171 /nfs/dbraw/zinc/60/91/71/583609171.db2.gz XUBXLGGPJHOBFO-SDDRHHMPSA-N 0 3 238.331 1.535 20 30 BDEDHN C[C@H](C[NH2+][C@@H]1CCCN([O-])C1=O)C(C)(C)C ZINC000895159416 583609220 /nfs/dbraw/zinc/60/92/20/583609220.db2.gz VLNJVKSFENBNRP-NXEZZACHSA-N 0 3 228.336 1.638 20 30 BDEDHN O=C1[C@@H]([NH2+]CCC2CCCCC2)CCCN1[O-] ZINC000895158960 583609308 /nfs/dbraw/zinc/60/93/08/583609308.db2.gz AGKCOKGNMFUMDF-LBPRGKRZSA-N 0 3 240.347 1.927 20 30 BDEDHN CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161262 583609515 /nfs/dbraw/zinc/60/95/15/583609515.db2.gz FMCWLLZCJKJVML-AEJSXWLSSA-N 0 3 214.309 1.391 20 30 BDEDHN C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)[C@@H]1C ZINC000895160277 583609521 /nfs/dbraw/zinc/60/95/21/583609521.db2.gz LWTAUPXCPOLPMO-WYUUTHIRSA-N 0 3 240.347 1.781 20 30 BDEDHN C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)[C@H]1C ZINC000895160273 583609719 /nfs/dbraw/zinc/60/97/19/583609719.db2.gz LWTAUPXCPOLPMO-NOOOWODRSA-N 0 3 240.347 1.781 20 30 BDEDHN C[C@@H](CC1CCC1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161394 583610045 /nfs/dbraw/zinc/61/00/45/583610045.db2.gz RGJHMNQFCWGBTB-ONGXEEELSA-N 0 3 226.320 1.535 20 30 BDEDHN C=CCNN=Cc1ccc2c(c1)CCN2C 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ZINC000895755749 583720444 /nfs/dbraw/zinc/72/04/44/583720444.db2.gz OJXMPYPJGSSPKZ-NSHDSACASA-N 0 3 233.319 1.424 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2cn(CC)nn2)CC1 ZINC000895951813 583751497 /nfs/dbraw/zinc/75/14/97/583751497.db2.gz CSGKISRXFULKEE-HAQNSBGRSA-N 0 3 232.331 1.580 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1cnn(C)c1C1CC1 ZINC000896035919 583764996 /nfs/dbraw/zinc/76/49/96/583764996.db2.gz XSFBVNKPUUNPRE-CYBMUJFWSA-N 0 3 249.358 1.714 20 30 BDEDHN CCO[C@@H](CNc1ccc(C#N)nc1)CN(C)C ZINC000896118375 583772238 /nfs/dbraw/zinc/77/22/38/583772238.db2.gz SSJBHGZDCQQRBW-ZDUSSCGKSA-N 0 3 248.330 1.332 20 30 BDEDHN C[C@@H]1[C@H](NCc2cccc(F)c2C#N)CCN1C ZINC000896556664 583812818 /nfs/dbraw/zinc/81/28/18/583812818.db2.gz YWMDRZLPFSKABV-QMTHXVAHSA-N 0 3 247.317 1.880 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000896617826 583817959 /nfs/dbraw/zinc/81/79/59/583817959.db2.gz KMEIICNWKDADPG-UPJWGTAASA-N 0 3 249.358 1.276 20 30 BDEDHN C#CCSCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000896651432 583820693 /nfs/dbraw/zinc/82/06/93/583820693.db2.gz CHAXUIRGXKENDQ-NSHDSACASA-N 0 3 242.388 1.055 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115904318 588935467 /nfs/dbraw/zinc/93/54/67/588935467.db2.gz XMGRUYOLEQWODZ-JTQLQIEISA-N 0 3 220.272 1.188 20 30 BDEDHN C=CCOCCCNCc1ccnc(F)c1 ZINC000858194053 588938565 /nfs/dbraw/zinc/93/85/65/588938565.db2.gz UAZNZKZJFZJFLT-UHFFFAOYSA-N 0 3 224.279 1.903 20 30 BDEDHN C#CCOc1ccccc1CNCC1COC1 ZINC000858300664 588943536 /nfs/dbraw/zinc/94/35/36/588943536.db2.gz LEQMEJOHKROOGJ-UHFFFAOYSA-N 0 3 231.295 1.435 20 30 BDEDHN COCC[C@@H]1CCCC1=Nn1cnnc1 ZINC000799865618 583968003 /nfs/dbraw/zinc/96/80/03/583968003.db2.gz IGKMDGAFFWDPJX-VIFPVBQESA-N 0 3 208.265 1.319 20 30 BDEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3C[C@@H]3C2)CC1 ZINC000888185711 583981316 /nfs/dbraw/zinc/98/13/16/583981316.db2.gz QANRBDCVEIRICA-TXEJJXNPSA-N 0 3 249.358 1.298 20 30 BDEDHN C#CC[C@@H](COC)NCc1ccc2c[nH]nc2c1 ZINC000858334564 588946535 /nfs/dbraw/zinc/94/65/35/588946535.db2.gz BJSOKBALWVBWBE-ZDUSSCGKSA-N 0 3 243.310 1.691 20 30 BDEDHN C=CCN(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897444464 583984613 /nfs/dbraw/zinc/98/46/13/583984613.db2.gz HHTREYIPGVVRNH-JTQLQIEISA-N 0 3 210.321 1.504 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cnc2n1CCC2 ZINC000858334569 588946661 /nfs/dbraw/zinc/94/66/61/588946661.db2.gz QBLOKWIIARNMSM-GFCCVEGCSA-N 0 3 247.342 1.347 20 30 BDEDHN C#CC[C@H](CCOC)[NH2+]Cc1ccccc1[O-] ZINC000858334014 588946664 /nfs/dbraw/zinc/94/66/64/588946664.db2.gz QVFCEKVZQPSTLV-CYBMUJFWSA-N 0 3 233.311 1.910 20 30 BDEDHN C#CC[C@H](COC)NCc1cccc2nccn21 ZINC000858335007 588947107 /nfs/dbraw/zinc/94/71/07/588947107.db2.gz KPZCCLPUXLLGHH-GFCCVEGCSA-N 0 3 243.310 1.462 20 30 BDEDHN C#CCNC(=O)CN([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000729544528 584017761 /nfs/dbraw/zinc/01/77/61/584017761.db2.gz HMSNWGJQEXGQBY-RYUDHWBXSA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCNC(=O)CN([C@@H](C)[C@H](C)CC)C1CC1 ZINC000729544526 584018068 /nfs/dbraw/zinc/01/80/68/584018068.db2.gz HMSNWGJQEXGQBY-NEPJUHHUSA-N 0 3 236.359 1.635 20 30 BDEDHN N#Cc1ccc(CNC2CC(CCO)C2)s1 ZINC000898008372 584071050 /nfs/dbraw/zinc/07/10/50/584071050.db2.gz OKBRASNTPPLHEY-UHFFFAOYSA-N 0 3 236.340 1.870 20 30 BDEDHN CC1(C)CCN(CCNCc2ccc(C#N)o2)C1 ZINC000898035719 584078842 /nfs/dbraw/zinc/07/88/42/584078842.db2.gz XIDKEDVVHOBGJX-UHFFFAOYSA-N 0 3 247.342 1.973 20 30 BDEDHN C=CC(C)(C)NCc1ccc(OCC(N)=O)cc1 ZINC000898456710 584136632 /nfs/dbraw/zinc/13/66/32/584136632.db2.gz CEDHPGBUPNMNEL-UHFFFAOYSA-N 0 3 248.326 1.605 20 30 BDEDHN C=CC(C)(C)NC[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000898460961 584138094 /nfs/dbraw/zinc/13/80/94/584138094.db2.gz WZPUBNHUXKUUKU-YUMQZZPRSA-N 0 3 233.258 1.595 20 30 BDEDHN C=CC(C)(C)NCc1c(C)nnn1CC ZINC000898460684 584138197 /nfs/dbraw/zinc/13/81/97/584138197.db2.gz RGJJLFYSFMFOJT-UHFFFAOYSA-N 0 3 208.309 1.661 20 30 BDEDHN CON(C)C(=O)[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000858580656 588968895 /nfs/dbraw/zinc/96/88/95/588968895.db2.gz TVNSXARTGJAXSJ-HBNTYKKESA-N 0 3 239.319 1.067 20 30 BDEDHN C=CC1CCN(C(=O)C23CCN(CC2)C3)CC1 ZINC000900654878 584336565 /nfs/dbraw/zinc/33/65/65/584336565.db2.gz DYPWPHYCAYSKFU-UHFFFAOYSA-N 0 3 234.343 1.507 20 30 BDEDHN CCCSCC(C)=NNC1=N[C@@H](C)CN1 ZINC000901217534 584402088 /nfs/dbraw/zinc/40/20/88/584402088.db2.gz XSPKFQOKMCSKOV-QMMMGPOBSA-N 0 3 228.365 1.443 20 30 BDEDHN CCC(CC)CNN=C(C)c1c[nH]c(N)n1 ZINC000901222963 584411155 /nfs/dbraw/zinc/41/11/55/584411155.db2.gz WJKNLDIVGHQKEZ-UHFFFAOYSA-N 0 3 223.324 1.742 20 30 BDEDHN Cc1cc(/C=C2\C(=O)c3nccn3C2C)nn1C ZINC000901564163 584463449 /nfs/dbraw/zinc/46/34/49/584463449.db2.gz FQULVQNXRYUGDQ-MDXIRLPMSA-N 0 3 242.282 1.766 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(CC)cn1 ZINC000902542153 584628899 /nfs/dbraw/zinc/62/88/99/584628899.db2.gz VJMMOXMBUILTDT-JSGCOSHPSA-N 0 3 249.358 1.974 20 30 BDEDHN C=CCN1CCC(N[C@@H](C)c2cn(C)nn2)CC1 ZINC000902796385 584674240 /nfs/dbraw/zinc/67/42/40/584674240.db2.gz PFWBJDJBPAMANF-NSHDSACASA-N 0 3 249.362 1.116 20 30 BDEDHN C[C@H](CCO)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902825568 584676474 /nfs/dbraw/zinc/67/64/74/584676474.db2.gz PXVBMJAHLBHBAR-MNOVXSKESA-N 0 3 233.315 1.622 20 30 BDEDHN CC[C@@H](O)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902844124 584680890 /nfs/dbraw/zinc/68/08/90/584680890.db2.gz GMBODWJEJRBRLH-CMPLNLGQSA-N 0 3 233.315 1.765 20 30 BDEDHN C[C@H](NCC(C)(C)CO)c1cc(C#N)ccn1 ZINC000902882180 584688535 /nfs/dbraw/zinc/68/85/35/584688535.db2.gz PLEHDZGKWMRVRL-JTQLQIEISA-N 0 3 233.315 1.622 20 30 BDEDHN C[C@H](NCC(C)(C)C(N)=O)c1cc(C#N)ccn1 ZINC000902893726 584690787 /nfs/dbraw/zinc/69/07/87/584690787.db2.gz CRHRZNCWWYPAHA-VIFPVBQESA-N 0 3 246.314 1.115 20 30 BDEDHN CC[C@@H](NC[C@H](O)COC)c1cccc(C#N)c1 ZINC000902981557 584708379 /nfs/dbraw/zinc/70/83/79/584708379.db2.gz BCCFFEBFKQMHSO-UONOGXRCSA-N 0 3 248.326 1.606 20 30 BDEDHN C#CCCOC(=O)N(C)CC1(N(C)C)CCC1 ZINC000859122459 589005720 /nfs/dbraw/zinc/00/57/20/589005720.db2.gz GQLUASCFUGDKKC-UHFFFAOYSA-N 0 3 238.331 1.562 20 30 BDEDHN C=CC[C@@H]1CCCN(Cc2ccc(N)nn2)C1 ZINC000904377628 584876174 /nfs/dbraw/zinc/87/61/74/584876174.db2.gz UYJCBGSFYIGBSQ-LLVKDONJSA-N 0 3 232.331 1.847 20 30 BDEDHN C=CC[C@H]1CCN(Cc2ccc(N)nn2)C1 ZINC000904381351 584876818 /nfs/dbraw/zinc/87/68/18/584876818.db2.gz VLXXMZCBEQLREF-JTQLQIEISA-N 0 3 218.304 1.457 20 30 BDEDHN CC(C)C[C@@H](O)CNCc1cccc(C#N)n1 ZINC000876988052 584888494 /nfs/dbraw/zinc/88/84/94/584888494.db2.gz SXPZCUHJOIYHDO-CYBMUJFWSA-N 0 3 233.315 1.450 20 30 BDEDHN CCC(=NN(CC)CCO)c1cccc(N)c1 ZINC000842538983 584900710 /nfs/dbraw/zinc/90/07/10/584900710.db2.gz XKBZHVXASWQUAW-UHFFFAOYSA-N 0 3 235.331 1.697 20 30 BDEDHN C=CC1CCN(CCN2CCOC2=O)CC1 ZINC000732205935 584934825 /nfs/dbraw/zinc/93/48/25/584934825.db2.gz JKLIAXVYNZQELW-UHFFFAOYSA-N 0 3 224.304 1.337 20 30 BDEDHN CC(C#N)C(=O)NCc1cccc2c1OCCO2 ZINC000733895021 584954444 /nfs/dbraw/zinc/95/44/44/584954444.db2.gz JFWRNVYWYIUNJZ-SECBINFHSA-N 0 3 246.266 1.234 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000733890952 584954592 /nfs/dbraw/zinc/95/45/92/584954592.db2.gz ONTHABBQVPLCGK-GHMZBOCLSA-N 0 3 244.294 1.514 20 30 BDEDHN CC[C@H]1CCCN(CC(=O)NCCC#N)CC1 ZINC000735310707 584975379 /nfs/dbraw/zinc/97/53/79/584975379.db2.gz CBGJTBJRXYHHPY-LBPRGKRZSA-N 0 3 237.347 1.528 20 30 BDEDHN CCCCCCN(C)CC(=O)NC[C@H](C)C#N ZINC000735657692 584980368 /nfs/dbraw/zinc/98/03/68/584980368.db2.gz UVGSDCWKNIDYGI-GFCCVEGCSA-N 0 3 239.363 1.774 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000736671714 585009423 /nfs/dbraw/zinc/00/94/23/585009423.db2.gz FWRKTRMNBRMSFG-KCJUWKMLSA-N 0 3 236.246 1.135 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1C[C@]1(C)C(C)C ZINC000838038365 585042912 /nfs/dbraw/zinc/04/29/12/585042912.db2.gz ZOYOINFZLZEHSG-DGCLKSJQSA-N 0 3 224.348 1.655 20 30 BDEDHN C#CCOCCN(C)C1CC(OCC)C1 ZINC000838906004 585077575 /nfs/dbraw/zinc/07/75/75/585077575.db2.gz GXSQIYPTHXNGCS-UHFFFAOYSA-N 0 3 211.305 1.136 20 30 BDEDHN C#CC(C)(C)N(C)CCC(=O)N1CCCC1 ZINC000838969725 585083004 /nfs/dbraw/zinc/08/30/04/585083004.db2.gz AHCVMAWJFAUVNO-UHFFFAOYSA-N 0 3 222.332 1.343 20 30 BDEDHN CN(CC(=O)NCCC#N)C1CC(C)(C)C1 ZINC000839189223 585097115 /nfs/dbraw/zinc/09/71/15/585097115.db2.gz CNDJMKFBBAWINZ-UHFFFAOYSA-N 0 3 223.320 1.137 20 30 BDEDHN C=CCNC(=S)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741507996 585115227 /nfs/dbraw/zinc/11/52/27/585115227.db2.gz MWXCHDNFRWGBMS-VHSXEESVSA-N 0 3 227.377 1.119 20 30 BDEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000741792982 585119022 /nfs/dbraw/zinc/11/90/22/585119022.db2.gz FJUISGNIURGUHT-NEPJUHHUSA-N 0 3 237.347 1.527 20 30 BDEDHN Cc1ccc(CC(N=NC(=N)N)C2CC2)cc1 ZINC000741838590 585120143 /nfs/dbraw/zinc/12/01/43/585120143.db2.gz XNBUTBVWVCUNJB-UHFFFAOYSA-N 0 3 230.315 1.787 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744030252 585142321 /nfs/dbraw/zinc/14/23/21/585142321.db2.gz BQIUAJLCJYDNIR-ZJUUUORDSA-N 0 3 246.266 1.394 20 30 BDEDHN C=C(C)CNC(=S)NCCN1CC[C@H](C)C1 ZINC000745181005 585157617 /nfs/dbraw/zinc/15/76/17/585157617.db2.gz MDANULWCMSWFMA-NSHDSACASA-N 0 3 241.404 1.368 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000746160013 585164030 /nfs/dbraw/zinc/16/40/30/585164030.db2.gz VJBFFTKHYPWVLQ-QWRGUYRKSA-N 0 3 248.330 1.574 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000748323140 585190696 /nfs/dbraw/zinc/19/06/96/585190696.db2.gz XMJQGNCSZQLYGP-GFCCVEGCSA-N 0 3 248.330 1.202 20 30 BDEDHN CC(C#N)C(=O)NCC[C@H](O)c1ccccc1 ZINC000748553551 585193993 /nfs/dbraw/zinc/19/39/93/585193993.db2.gz ZNTURZJIFVKZNY-PWSUYJOCSA-N 0 3 232.283 1.386 20 30 BDEDHN C=C(Cl)CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000839531702 585261451 /nfs/dbraw/zinc/26/14/51/585261451.db2.gz NJUAEIHHXBWYEY-ZJUUUORDSA-N 0 3 234.796 1.716 20 30 BDEDHN C#CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000754004514 585275154 /nfs/dbraw/zinc/27/51/54/585275154.db2.gz JJNAWQXIKMDBJS-LBPRGKRZSA-N 0 3 244.338 1.865 20 30 BDEDHN C=C(Cl)CN[C@H]1CCN(C(C)=O)C[C@H]1CC ZINC000839560586 585331241 /nfs/dbraw/zinc/33/12/41/585331241.db2.gz NFLMOOCOLJTVSF-NEPJUHHUSA-N 0 3 244.766 1.976 20 30 BDEDHN C=C(Cl)CN[C@H]1CCC[C@H]1C(=O)OC ZINC000839610668 585332887 /nfs/dbraw/zinc/33/28/87/585332887.db2.gz BBMLSWVZERRCFK-BDAKNGLRSA-N 0 3 217.696 1.670 20 30 BDEDHN C#CCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000758792534 585359849 /nfs/dbraw/zinc/35/98/49/585359849.db2.gz WIWJIPKAMBQWAB-GFCCVEGCSA-N 0 3 249.358 1.326 20 30 BDEDHN C#CCCCC(=O)NC[C@H](C)N1CCCCC1 ZINC000760148890 585386171 /nfs/dbraw/zinc/38/61/71/585386171.db2.gz MVNBOSVZSVREJV-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2ccncn2)O1 ZINC000760338069 585390369 /nfs/dbraw/zinc/39/03/69/585390369.db2.gz DFSBIVPCJRJMGB-SCVCMEIPSA-N 0 3 245.282 1.610 20 30 BDEDHN CCCCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342334 585390785 /nfs/dbraw/zinc/39/07/85/585390785.db2.gz WQVIBEDQZMEAEU-QWRGUYRKSA-N 0 3 247.298 1.858 20 30 BDEDHN CC(C)CO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760344409 585390818 /nfs/dbraw/zinc/39/08/18/585390818.db2.gz HRSPNKMJAJTZTN-GHMZBOCLSA-N 0 3 247.298 1.714 20 30 BDEDHN C#CCCN1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000760833213 585398563 /nfs/dbraw/zinc/39/85/63/585398563.db2.gz SYWDBDLSRDIZKS-CYBMUJFWSA-N 0 3 238.375 1.034 20 30 BDEDHN C#CCCN(Cc1ccccc1)C[C@@H](C)O ZINC000760845137 585399681 /nfs/dbraw/zinc/39/96/81/585399681.db2.gz UDHWNLJQETVDFF-CYBMUJFWSA-N 0 3 217.312 1.893 20 30 BDEDHN CC(C)N1CC(N=Nc2cnn(C)c2)[C@H](C)C1 ZINC000761885346 585422469 /nfs/dbraw/zinc/42/24/69/585422469.db2.gz RLIBNMYXPIEPKL-SNVBAGLBSA-N 0 3 235.335 1.548 20 30 BDEDHN CC(C#N)C(=O)N[C@H](CCO)c1cccs1 ZINC000761936217 585422997 /nfs/dbraw/zinc/42/29/97/585422997.db2.gz LIZTUWXNPYBMMP-RKDXNWHRSA-N 0 3 238.312 1.447 20 30 BDEDHN CCC1(CC)C(N=NC(=N)N)C[C@H]1OC ZINC000762601609 585434715 /nfs/dbraw/zinc/43/47/15/585434715.db2.gz BQIGDCVLWWPVGT-MRVPVSSYSA-N 0 3 212.297 1.051 20 30 BDEDHN C=CCSCCNC(=O)C1(N(C)C)CCC1 ZINC000763029290 585441876 /nfs/dbraw/zinc/44/18/76/585441876.db2.gz 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/nfs/dbraw/zinc/18/82/12/588188212.db2.gz XRFCMKFUZIWFHU-KGLIPLIRSA-N 0 3 248.326 1.294 20 30 BDEDHN C=CCCc1noc([C@@H](N)CCN(C)C)n1 ZINC000844919093 588219140 /nfs/dbraw/zinc/21/91/40/588219140.db2.gz IDQFRMXDSWWWEP-VIFPVBQESA-N 0 3 224.308 1.140 20 30 BDEDHN C=C(C)CONC(=O)NC[C@H]1CCCN(C)C1 ZINC000845596472 588234668 /nfs/dbraw/zinc/23/46/68/588234668.db2.gz UWEMUEYRKJXIAH-LLVKDONJSA-N 0 3 241.335 1.135 20 30 BDEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000845629818 588238280 /nfs/dbraw/zinc/23/82/80/588238280.db2.gz GEISKDBBAWFRQA-GARJFASQSA-N 0 3 241.335 1.274 20 30 BDEDHN C=C(C)CONC(=O)CCN(C)c1ccncc1 ZINC000846535980 588271431 /nfs/dbraw/zinc/27/14/31/588271431.db2.gz ORLJRIBYLVSYMN-UHFFFAOYSA-N 0 3 249.314 1.532 20 30 BDEDHN C=C(C)CO[N-]C(=O)CCCC[NH+]1CCCC1 ZINC000846539760 588272672 /nfs/dbraw/zinc/27/26/72/588272672.db2.gz MUUBWMZKNDLYLU-UHFFFAOYSA-N 0 3 240.347 1.876 20 30 BDEDHN C=C[C@H](C)O[N-]C(=O)CC1CC[NH+](C)CC1 ZINC000846551230 588275791 /nfs/dbraw/zinc/27/57/91/588275791.db2.gz YELJUXZIBSHIJI-JTQLQIEISA-N 0 3 226.320 1.341 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@@H](F)C1 ZINC000846632384 588279879 /nfs/dbraw/zinc/27/98/79/588279879.db2.gz RDTGJXCYOLKLST-SNVBAGLBSA-N 0 3 214.284 1.065 20 30 BDEDHN CC[C@H](C#N)C(=O)N1CCC12CCN(C)CC2 ZINC000846637007 588280419 /nfs/dbraw/zinc/28/04/19/588280419.db2.gz UUSMEWHUELXGBF-LLVKDONJSA-N 0 3 235.331 1.233 20 30 BDEDHN C=C(C)CN(CC)C[C@@H]1CN(CC)C(=O)O1 ZINC000846768228 588287076 /nfs/dbraw/zinc/28/70/76/588287076.db2.gz GFZYXOOIUDEWKQ-LLVKDONJSA-N 0 3 226.320 1.725 20 30 BDEDHN C=CCC[C@H](O)CN1CCC(C(C)=O)CC1 ZINC000846952463 588298283 /nfs/dbraw/zinc/29/82/83/588298283.db2.gz YRYFRWSFBLXAEI-ZDUSSCGKSA-N 0 3 225.332 1.615 20 30 BDEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000847032660 588304405 /nfs/dbraw/zinc/30/44/05/588304405.db2.gz YIEVXOSIGUKECW-VXGBXAGGSA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000847447748 588313538 /nfs/dbraw/zinc/31/35/38/588313538.db2.gz TYTRLVZXVITCKI-CHWSQXEVSA-N 0 3 249.358 1.278 20 30 BDEDHN C#CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000847444986 588313897 /nfs/dbraw/zinc/31/38/97/588313897.db2.gz NTELNXXOFBXCQI-CHWSQXEVSA-N 0 3 249.358 1.326 20 30 BDEDHN Cn1ccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848411262 588380133 /nfs/dbraw/zinc/38/01/33/588380133.db2.gz WJIFHYCJJNOEHP-LBPRGKRZSA-N 0 3 247.346 1.836 20 30 BDEDHN CCNCC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000848435662 588384718 /nfs/dbraw/zinc/38/47/18/588384718.db2.gz XMLDAGLNLSDKAR-UHFFFAOYSA-N 0 3 229.283 1.010 20 30 BDEDHN C#CCSCCNCc1cnc(Cl)n1C ZINC000848538325 588394703 /nfs/dbraw/zinc/39/47/03/588394703.db2.gz KCXMBIXYKALIHF-UHFFFAOYSA-N 0 3 243.763 1.530 20 30 BDEDHN Cn1c(Cl)ncc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000848559883 588397546 /nfs/dbraw/zinc/39/75/46/588397546.db2.gz VPVROHJWVHCXLY-DTWKUNHWSA-N 0 3 238.722 1.855 20 30 BDEDHN C#CCCCNCc1cc(C(=O)OC)oc1C ZINC000848897998 588417846 /nfs/dbraw/zinc/41/78/46/588417846.db2.gz OBUOQFCNEZRLSC-UHFFFAOYSA-N 0 3 235.283 1.878 20 30 BDEDHN C#CCCCNCc1ccc(/C=C\C(=O)OC)o1 ZINC000848897450 588418030 /nfs/dbraw/zinc/41/80/30/588418030.db2.gz JAWVOQYDNASZCJ-HJWRWDBZSA-N 0 3 247.294 1.969 20 30 BDEDHN CN(C)C(=NCC1(C#N)CCCC1)N(C)C ZINC000849046391 588450391 /nfs/dbraw/zinc/45/03/91/588450391.db2.gz FEFXKTIYAJZCRY-UHFFFAOYSA-N 0 3 222.336 1.550 20 30 BDEDHN C[C@@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000849141845 588454701 /nfs/dbraw/zinc/45/47/01/588454701.db2.gz JZKKNRGDGOYGMX-MRVPVSSYSA-N 0 3 245.261 1.357 20 30 BDEDHN C=C(Cl)CN[C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000850147124 588521659 /nfs/dbraw/zinc/52/16/59/588521659.db2.gz WCUDBIJCWCFQBM-HLTSFMKQSA-N 0 3 217.696 1.526 20 30 BDEDHN Cn1cnc(CNCCc2ccc(C#N)cc2)c1 ZINC000850345696 588538278 /nfs/dbraw/zinc/53/82/78/588538278.db2.gz IGJIFRFJCKHHQT-UHFFFAOYSA-N 0 3 240.310 1.624 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417975 588544751 /nfs/dbraw/zinc/54/47/51/588544751.db2.gz ULQYKZPLHWQVHO-DRZSPHRISA-N 0 3 246.310 1.590 20 30 BDEDHN C#C[C@H](N[C@@H](C)CSCCF)[C@@H]1CCCO1 ZINC000850461932 588548358 /nfs/dbraw/zinc/54/83/58/588548358.db2.gz MEFHGXYOVBYVRI-SRVKXCTJSA-N 0 3 245.363 1.848 20 30 BDEDHN C#CCOCCN1CCC[C@H](c2ccnn2C)C1 ZINC000851731404 588619511 /nfs/dbraw/zinc/61/95/11/588619511.db2.gz OVPXJQBHWAVCME-ZDUSSCGKSA-N 0 3 247.342 1.249 20 30 BDEDHN C#CCN(C[C@@H]1CCC(=O)O1)C1CCCCC1 ZINC000851737924 588620753 /nfs/dbraw/zinc/62/07/53/588620753.db2.gz RLJMJMMKKGPVQL-ZDUSSCGKSA-N 0 3 235.327 1.960 20 30 BDEDHN CO[C@H](CN1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000851739997 588621484 /nfs/dbraw/zinc/62/14/84/588621484.db2.gz KFGKZMBXBNDBAD-CHWSQXEVSA-N 0 3 238.331 1.273 20 30 BDEDHN C#CCOCCN1CCCC[C@H]1CC(=O)OC ZINC000851744522 588622034 /nfs/dbraw/zinc/62/20/34/588622034.db2.gz HUHRQDUETXSDDK-LBPRGKRZSA-N 0 3 239.315 1.054 20 30 BDEDHN C#CCOCCN1CCS[C@@H](C(C)C)C1 ZINC000851791711 588629460 /nfs/dbraw/zinc/62/94/60/588629460.db2.gz GDQNVIKVLLZXEK-GFCCVEGCSA-N 0 3 227.373 1.710 20 30 BDEDHN C#CCN(CC)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000851798817 588630113 /nfs/dbraw/zinc/63/01/13/588630113.db2.gz HWOBAUXSPZLMTJ-CHWSQXEVSA-N 0 3 224.348 1.051 20 30 BDEDHN C#CCN(CCc1cn[nH]n1)C1CCCC1 ZINC000851809665 588631931 /nfs/dbraw/zinc/63/19/31/588631931.db2.gz XAQCNGFOGBTRGD-UHFFFAOYSA-N 0 3 218.304 1.225 20 30 BDEDHN C#CCOCCNC1(c2ccccc2)CC1 ZINC000851898586 588641625 /nfs/dbraw/zinc/64/16/25/588641625.db2.gz QIYPURMGRQQRHR-UHFFFAOYSA-N 0 3 215.296 1.915 20 30 BDEDHN C#CCOCCN[C@H](c1cccnc1)C1CC1 ZINC000851921386 588643837 /nfs/dbraw/zinc/64/38/37/588643837.db2.gz QBJOHVZVBLQEMU-AWEZNQCLSA-N 0 3 230.311 1.772 20 30 BDEDHN C#C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CCCO1 ZINC000851950685 588647009 /nfs/dbraw/zinc/64/70/09/588647009.db2.gz RAVIOCQFIILKFM-HBNTYKKESA-N 0 3 245.269 1.181 20 30 BDEDHN C#C[C@H](C)N(C)CC[C@@H]1COC(C)(C)O1 ZINC000851990843 588652899 /nfs/dbraw/zinc/65/28/99/588652899.db2.gz XMKHPSSDTOEEKV-WDEREUQCSA-N 0 3 211.305 1.482 20 30 BDEDHN C#CCCN[C@@](C)(CC(=O)OC)c1ccncc1 ZINC000852044827 588657582 /nfs/dbraw/zinc/65/75/82/588657582.db2.gz SELZXOGGYQLMSJ-AWEZNQCLSA-N 0 3 246.310 1.473 20 30 BDEDHN C#C[C@@](C)(CC)NCCC(=O)Nc1cc(C)on1 ZINC000852096399 588661768 /nfs/dbraw/zinc/66/17/68/588661768.db2.gz BFYUUAFXLCKEPO-ZDUSSCGKSA-N 0 3 249.314 1.703 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)N1CCC(C)CC1 ZINC000852098434 588662285 /nfs/dbraw/zinc/66/22/85/588662285.db2.gz MXZBMXWJBAGRLA-AWEZNQCLSA-N 0 3 236.359 1.636 20 30 BDEDHN C#C[C@](C)(CC)NC[C@H](O)Cc1ccccc1 ZINC000852101491 588663178 /nfs/dbraw/zinc/66/31/78/588663178.db2.gz PZBKRUXYXOGYMQ-HUUCEWRRSA-N 0 3 231.339 1.982 20 30 BDEDHN C#C[C@@](C)(CC)NCc1ccnc(N)c1 ZINC000852103399 588663457 /nfs/dbraw/zinc/66/34/57/588663457.db2.gz GORFJNXMOAOPPY-LBPRGKRZSA-N 0 3 203.289 1.555 20 30 BDEDHN C#C[C@](C)(CC)NC[C@H](O)CSC ZINC000852104001 588663636 /nfs/dbraw/zinc/66/36/36/588663636.db2.gz YECRGXYZANBAQE-VHSXEESVSA-N 0 3 201.335 1.102 20 30 BDEDHN C#C[C@@](C)(CC)NCCOCC(F)F ZINC000852103640 588663725 /nfs/dbraw/zinc/66/37/25/588663725.db2.gz NKRIDYAZWDSQQJ-JTQLQIEISA-N 0 3 205.248 1.660 20 30 BDEDHN C#CC[C@H]1CCCN(CCOC(F)F)C1 ZINC000852206839 588671887 /nfs/dbraw/zinc/67/18/87/588671887.db2.gz SUPWHRIFVVMDGF-JTQLQIEISA-N 0 3 217.259 1.961 20 30 BDEDHN C#CCCN(C)[C@H](CO)Cc1ccccc1 ZINC000852288468 588675722 /nfs/dbraw/zinc/67/57/22/588675722.db2.gz NWLNXKHSOGLNFT-AWEZNQCLSA-N 0 3 217.312 1.545 20 30 BDEDHN C[C@H](CCC#N)N1CCC2=C(CCC(=O)N2)C1 ZINC000852297627 588677185 /nfs/dbraw/zinc/67/71/85/588677185.db2.gz KJXHMXGLZDHQQH-SNVBAGLBSA-N 0 3 233.315 1.548 20 30 BDEDHN C=CCN(CCC1OCCO1)[C@H](C)COC ZINC000852357038 588679626 /nfs/dbraw/zinc/67/96/26/588679626.db2.gz WAPUDEUYVQHVIJ-LLVKDONJSA-N 0 3 229.320 1.272 20 30 BDEDHN C=CCN(CCC(=O)CC)[C@@H](C)COC ZINC000852356379 588679632 /nfs/dbraw/zinc/67/96/32/588679632.db2.gz CPTQTSKKKKRKHG-NSHDSACASA-N 0 3 213.321 1.879 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@](O)(C2CC2)C1 ZINC000852501399 588686231 /nfs/dbraw/zinc/68/62/31/588686231.db2.gz LOABKUQORVFEKU-DGCLKSJQSA-N 0 3 238.331 1.152 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@@H](C)O[C@@H](C)C1 ZINC000852586388 588692262 /nfs/dbraw/zinc/69/22/62/588692262.db2.gz GSNGUHXZWWFLCN-WOPDTQHZSA-N 0 3 226.320 1.414 20 30 BDEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NCCC#N)C1 ZINC000852592612 588692390 /nfs/dbraw/zinc/69/23/90/588692390.db2.gz SFQNDBHNNOVEKU-VXGBXAGGSA-N 0 3 237.347 1.527 20 30 BDEDHN C#CCOCCN1CCC(c2ccon2)CC1 ZINC000852673894 588694813 /nfs/dbraw/zinc/69/48/13/588694813.db2.gz YWCOXSFBOVYWAB-UHFFFAOYSA-N 0 3 234.299 1.504 20 30 BDEDHN C=C(Cl)CN1CCNC[C@@](C)(F)C1 ZINC000852750089 588697312 /nfs/dbraw/zinc/69/73/12/588697312.db2.gz WAMOESWDWBLGJM-SECBINFHSA-N 0 3 206.692 1.372 20 30 BDEDHN C=C[C@H](CO)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000852714235 588697408 /nfs/dbraw/zinc/69/74/08/588697408.db2.gz FZJYBAAKBZRERZ-NXEZZACHSA-N 0 3 244.335 1.036 20 30 BDEDHN C=C[C@H](CO)NCCC(=O)OCc1ccccc1 ZINC000852714358 588697597 /nfs/dbraw/zinc/69/75/97/588697597.db2.gz JGZYPXTXEWODAN-CYBMUJFWSA-N 0 3 249.310 1.256 20 30 BDEDHN C=C[C@H](CO)NCCOC1CCCCCC1 ZINC000852714535 588697635 /nfs/dbraw/zinc/69/76/35/588697635.db2.gz UIHBWYPPULCKER-GFCCVEGCSA-N 0 3 227.348 1.862 20 30 BDEDHN C#CCCN(CCOC)CCSC ZINC000852750688 588700067 /nfs/dbraw/zinc/70/00/67/588700067.db2.gz CFBYJCSVPMOGSP-UHFFFAOYSA-N 0 3 201.335 1.321 20 30 BDEDHN CCC#C[C@@H](C)N1CCC(NC(=O)OC)CC1 ZINC000852767027 588700924 /nfs/dbraw/zinc/70/09/24/588700924.db2.gz NERDDGUWZDMUFM-LLVKDONJSA-N 0 3 238.331 1.609 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2cncnc2)C1 ZINC000862444979 589214575 /nfs/dbraw/zinc/21/45/75/589214575.db2.gz JOXUTGBZEQABDG-LLVKDONJSA-N 0 3 201.273 1.322 20 30 BDEDHN C#CC[C@H]1CCN(Cc2conc2C)C1 ZINC000862448017 589215048 /nfs/dbraw/zinc/21/50/48/589215048.db2.gz VBVRJCNRUVNRHU-NSHDSACASA-N 0 3 204.273 1.828 20 30 BDEDHN CCON(CC)C(=O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000862453818 589215896 /nfs/dbraw/zinc/21/58/96/589215896.db2.gz NRKWKKGGTJNWLF-WDEREUQCSA-N 0 3 239.319 1.068 20 30 BDEDHN C#CC[C@H](COC)N[C@H]1CCC[C@@H](C#N)C1 ZINC000862548342 589220005 /nfs/dbraw/zinc/22/00/05/589220005.db2.gz CYMPZPZISNPYJL-FRRDWIJNSA-N 0 3 220.316 1.697 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC000862566655 589223126 /nfs/dbraw/zinc/22/31/26/589223126.db2.gz RTJPSTLWWIUMTL-LBPRGKRZSA-N 0 3 222.332 1.200 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000862571716 589224107 /nfs/dbraw/zinc/22/41/07/589224107.db2.gz WWXWMLOLEOOBKP-CQSZACIVSA-N 0 3 248.370 1.590 20 30 BDEDHN CCC(=NNC[C@@H](O)CC)c1ccc(N)cc1 ZINC000863111716 589257685 /nfs/dbraw/zinc/25/76/85/589257685.db2.gz GKJABZQVMRDPER-LBPRGKRZSA-N 0 3 235.331 1.743 20 30 BDEDHN C(CC1CC1)ON=C1CN2C[C@@H]1CCC2 ZINC000863115476 589259300 /nfs/dbraw/zinc/25/93/00/589259300.db2.gz PYCIGNVRPSDMGX-NSHDSACASA-N 0 3 208.305 1.885 20 30 BDEDHN Fc1cncnc1N=NC1CN2C[C@@H]1CCC2 ZINC000863115176 589259391 /nfs/dbraw/zinc/25/93/91/589259391.db2.gz FUABHVOMCJDORG-QMMMGPOBSA-N 0 3 235.266 1.109 20 30 BDEDHN Cc1cnccc1N=NC1CCN2CCC[C@@H]12 ZINC000863157789 589263860 /nfs/dbraw/zinc/26/38/60/589263860.db2.gz UGPOPKRHQMLMJY-ZDUSSCGKSA-N 0 3 230.315 1.448 20 30 BDEDHN CCCCCCCNC(=S)NCCN(C)C ZINC000863199639 589270594 /nfs/dbraw/zinc/27/05/94/589270594.db2.gz HKRLTWHNOHECNB-UHFFFAOYSA-N 0 3 245.436 1.983 20 30 BDEDHN C#CC[C@@H](COC)NC[C@@H](O)c1ccc(C)cc1 ZINC000863588956 589302723 /nfs/dbraw/zinc/30/27/23/589302723.db2.gz IQHPPEBIVROEHL-LSDHHAIUSA-N 0 3 247.338 1.656 20 30 BDEDHN CN(C(=O)C12CCN(CC1)C2)[C@@H]1CCC[C@H]1C#N ZINC000864078441 589341196 /nfs/dbraw/zinc/34/11/96/589341196.db2.gz NTDCYECXNOSBCQ-NWDGAFQWSA-N 0 3 247.342 1.233 20 30 BDEDHN C#CCCCCC(=O)N(CCN(C)C)C(C)C ZINC000120313527 589401665 /nfs/dbraw/zinc/40/16/65/589401665.db2.gz PRMAIWIJQYEVDG-UHFFFAOYSA-N 0 3 238.375 1.979 20 30 BDEDHN C[C@H](O)CNCc1cc(C#N)ccc1N(C)C ZINC000865398573 589432630 /nfs/dbraw/zinc/43/26/30/589432630.db2.gz ZCKQKBCQDXHAQF-JTQLQIEISA-N 0 3 233.315 1.095 20 30 BDEDHN CCCCN(C)CCNC(=O)c1coc(C#N)c1 ZINC000865745900 589460578 /nfs/dbraw/zinc/46/05/78/589460578.db2.gz NCCVZZCNWJFKEA-UHFFFAOYSA-N 0 3 249.314 1.613 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000870489355 589668924 /nfs/dbraw/zinc/66/89/24/589668924.db2.gz JCUREVIZOJEPLK-WDEREUQCSA-N 0 3 228.311 1.501 20 30 BDEDHN C#CCc1c(C)nn(CCN(C)C)c1C ZINC000871943185 589836696 /nfs/dbraw/zinc/83/66/96/589836696.db2.gz BDLDBNYSDZSJMR-UHFFFAOYSA-N 0 3 205.305 1.237 20 30 BDEDHN C#C[C@H](N[C@H]1CCOC(C)(C)C1)[C@@H]1CCCO1 ZINC000872062082 589862455 /nfs/dbraw/zinc/86/24/55/589862455.db2.gz CVVUUOBFLYFWFO-AVGNSLFASA-N 0 3 237.343 1.714 20 30 BDEDHN C#C[C@H](N[C@@H]1CCOC(C)(C)C1)[C@@H]1CCCO1 ZINC000872062081 589862838 /nfs/dbraw/zinc/86/28/38/589862838.db2.gz CVVUUOBFLYFWFO-AGIUHOORSA-N 0 3 237.343 1.714 20 30 BDEDHN C(=Nn1cnnc1)C1([C@@H]2CCCCO2)CCC1 ZINC000872324313 589912486 /nfs/dbraw/zinc/91/24/86/589912486.db2.gz PRSKPYDIWIWJJQ-NSHDSACASA-N 0 3 234.303 1.851 20 30 BDEDHN CN(C)CCOc1ccc(C=NN2CCC2)cc1 ZINC000872396031 589933090 /nfs/dbraw/zinc/93/30/90/589933090.db2.gz OOOMUNOSIHFHID-UHFFFAOYSA-N 0 3 247.342 1.667 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2ccon2)CC1 ZINC000873198233 589992297 /nfs/dbraw/zinc/99/22/97/589992297.db2.gz ZPOGOGTVGYCXGT-XYPYZODXSA-N 0 3 204.273 1.956 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2cnnn2CC)CC1 ZINC000873198142 589992344 /nfs/dbraw/zinc/99/23/44/589992344.db2.gz SQXBLRLETQAHJF-HAQNSBGRSA-N 0 3 232.331 1.580 20 30 BDEDHN CNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498952 590051089 /nfs/dbraw/zinc/05/10/89/590051089.db2.gz VFNOEEWRCYWORV-SNVBAGLBSA-N 0 3 220.272 1.188 20 30 BDEDHN Cc1csc([C@H]2CCN(C(=O)C(C)C#N)C2)n1 ZINC000874493388 590115347 /nfs/dbraw/zinc/11/53/47/590115347.db2.gz KWBAHKGKVOSXTC-SCZZXKLOSA-N 0 3 249.339 1.927 20 30 BDEDHN Cc1nccnc1[C@H](C)NC(=O)C(C)C#N ZINC000874664333 590122797 /nfs/dbraw/zinc/12/27/97/590122797.db2.gz INZPYKSXAVOEQX-CBAPKCEASA-N 0 3 218.260 1.122 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CC12CCC2 ZINC000874779726 590131579 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C#CC[C@H]1CCN(Cc2ccc(OC)nn2)C1 ZINC000886364175 592218904 /nfs/dbraw/zinc/21/89/04/592218904.db2.gz QSSYFGGMGOVWDZ-NSHDSACASA-N 0 3 231.299 1.330 20 30 BDEDHN C#CCC1(NCc2nccnc2C)CCOCC1 ZINC000886379215 592221655 /nfs/dbraw/zinc/22/16/55/592221655.db2.gz RTWZYBNUNAJFHJ-UHFFFAOYSA-N 0 3 245.326 1.447 20 30 BDEDHN CC(C#N)C(=O)N1CCOC[C@H]1CC1CC1 ZINC000886463827 592227730 /nfs/dbraw/zinc/22/77/30/592227730.db2.gz IHTKTHXOCRJXNQ-GXSJLCMTSA-N 0 3 222.288 1.174 20 30 BDEDHN C=C(Cl)CN[C@H]1CC[C@H](C(=O)OC)C1 ZINC000886547246 592256928 /nfs/dbraw/zinc/25/69/28/592256928.db2.gz HYJQTTOBSFLMFB-IUCAKERBSA-N 0 3 217.696 1.670 20 30 BDEDHN C=C(C)C[C@H](CO)N[C@@H]1CCc2cccnc21 ZINC000886651501 592290177 /nfs/dbraw/zinc/29/01/77/592290177.db2.gz HJDBCLQTIBVOOB-CHWSQXEVSA-N 0 3 232.327 1.986 20 30 BDEDHN C=CCC1(O)CCN(C[C@H](O)CSC)CC1 ZINC000886776461 592320280 /nfs/dbraw/zinc/32/02/80/592320280.db2.gz HCGYRYODXTVPIG-NSHDSACASA-N 0 3 245.388 1.113 20 30 BDEDHN C=CCC1(O)CCN(CCC(=O)CC)CC1 ZINC000886776452 592320289 /nfs/dbraw/zinc/32/02/89/592320289.db2.gz GQKLJVBJTVSJLD-UHFFFAOYSA-N 0 3 225.332 1.759 20 30 BDEDHN C=CCC1(O)CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000886778787 592320896 /nfs/dbraw/zinc/32/08/96/592320896.db2.gz UFDQFFGPHJKCDF-UHFFFAOYSA-N 0 3 248.326 1.690 20 30 BDEDHN C#CCCCN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886809166 592334766 /nfs/dbraw/zinc/33/47/66/592334766.db2.gz WMXRCZDAPMHMKN-JTQLQIEISA-N 0 3 235.249 1.647 20 30 BDEDHN C=CC[C@H](C)N1CC[C@H](NC(=O)OC)C1 ZINC000886848441 592365487 /nfs/dbraw/zinc/36/54/87/592365487.db2.gz CWUBKOGDDPBJQA-UWVGGRQHSA-N 0 3 212.293 1.381 20 30 BDEDHN COCC#CCNCC1(C2(O)CCC2)CCC1 ZINC000886979350 592403935 /nfs/dbraw/zinc/40/39/35/592403935.db2.gz IWPCDZGTTMSFLC-UHFFFAOYSA-N 0 3 237.343 1.311 20 30 BDEDHN C#CCC1(NC/C=C\Cl)CCOCC1 ZINC000887124366 592447601 /nfs/dbraw/zinc/44/76/01/592447601.db2.gz ANKNBKKHNLETMM-CLTKARDFSA-N 0 3 213.708 1.901 20 30 BDEDHN CC#CCN1CCN(c2ccncc2)C[C@@H]1C ZINC000887132507 592448368 /nfs/dbraw/zinc/44/83/68/592448368.db2.gz HIYPJGQHWXZQRQ-ZDUSSCGKSA-N 0 3 229.327 1.615 20 30 BDEDHN CC(C#N)C(=O)NCc1cnn(CC2CCC2)c1 ZINC000887361344 592490864 /nfs/dbraw/zinc/49/08/64/592490864.db2.gz SQYNCCHCYQZSEV-SNVBAGLBSA-N 0 3 246.314 1.459 20 30 BDEDHN CC(C#N)C(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC000887420895 592504032 /nfs/dbraw/zinc/50/40/32/592504032.db2.gz ZGSXBDKSLNADSQ-GHMZBOCLSA-N 0 3 238.331 1.858 20 30 BDEDHN CC(C)(NCC(=O)NCCC#N)c1ccccc1 ZINC000301242244 592531537 /nfs/dbraw/zinc/53/15/37/592531537.db2.gz IFCMQHSJRZRMHT-UHFFFAOYSA-N 0 3 245.326 1.541 20 30 BDEDHN C#CCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000363466070 592728282 /nfs/dbraw/zinc/72/82/82/592728282.db2.gz BFUQGRXPQZCMBG-CYBMUJFWSA-N 0 3 216.284 1.558 20 30 BDEDHN N#CCCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368876682 592736470 /nfs/dbraw/zinc/73/64/70/592736470.db2.gz RLDDGKQUEUFLLY-UTUOFQBUSA-N 0 3 235.331 1.409 20 30 BDEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124787692 634435378 /nfs/dbraw/zinc/43/53/78/634435378.db2.gz UTNVVTLJPJWGFO-ZJUUUORDSA-N 0 3 222.288 1.364 20 30 BDEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001027305896 634464302 /nfs/dbraw/zinc/46/43/02/634464302.db2.gz VGHWZAPNUDVFHX-STQMWFEESA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027364592 634497533 /nfs/dbraw/zinc/49/75/33/634497533.db2.gz FOLLDNNFIVNMHY-AWEZNQCLSA-N 0 3 246.354 1.653 20 30 BDEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001027529220 634545304 /nfs/dbraw/zinc/54/53/04/634545304.db2.gz GLOIHBVLCMMGMZ-XQQFMLRXSA-N 0 3 234.343 1.198 20 30 BDEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC001027525173 634541742 /nfs/dbraw/zinc/54/17/42/634541742.db2.gz OOFQRTYLCPCDDZ-NWDGAFQWSA-N 0 3 240.322 1.291 20 30 BDEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1ccncc1CO ZINC000893659984 635426742 /nfs/dbraw/zinc/42/67/42/635426742.db2.gz QEOBLALXALLRFZ-BXUZGUMPSA-N 0 3 248.326 1.389 20 30 BDEDHN CC(=NNC(=N)N)c1cccc(F)c1F ZINC000308777749 631379861 /nfs/dbraw/zinc/37/98/61/631379861.db2.gz SKXWGRQSUGWQEA-UHFFFAOYSA-N 0 3 212.203 1.172 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BDEDHN C=CC[C@@H]1CCN1[C@H]1CCCN(C)C1=O ZINC000934460402 631846404 /nfs/dbraw/zinc/84/64/04/631846404.db2.gz ICERFUZXVGVZMW-MNOVXSKESA-N 0 3 208.305 1.258 20 30 BDEDHN C=CC[C@H]1CCN1C[C@H](O)c1ccccn1 ZINC000934460833 631850518 /nfs/dbraw/zinc/85/05/18/631850518.db2.gz RZPYHFLLBZZYAO-AAEUAGOBSA-N 0 3 218.300 1.765 20 30 BDEDHN C=CC[C@@H]1CCN1Cc1ccnc(N)c1 ZINC000934459719 631850623 /nfs/dbraw/zinc/85/06/23/631850623.db2.gz FDTDOMQZGUXXDV-LLVKDONJSA-N 0 3 203.289 1.814 20 30 BDEDHN C=CC[C@H]1CCN1C[C@@H](O)c1ccccn1 ZINC000934460837 631850718 /nfs/dbraw/zinc/85/07/18/631850718.db2.gz RZPYHFLLBZZYAO-WCQYABFASA-N 0 3 218.300 1.765 20 30 BDEDHN C=CC[C@H]1CCN1[C@H](C)C(=O)NC1CC1 ZINC000934472363 631865972 /nfs/dbraw/zinc/86/59/72/631865972.db2.gz MLEHKSFKHYZIJA-KOLCDFICSA-N 0 3 208.305 1.304 20 30 BDEDHN C=CC[C@H]1CCN1[C@@H](C)C(=O)NC1CC1 ZINC000934472365 631866939 /nfs/dbraw/zinc/86/69/39/631866939.db2.gz MLEHKSFKHYZIJA-ONGXEEELSA-N 0 3 208.305 1.304 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000972206656 631871074 /nfs/dbraw/zinc/87/10/74/631871074.db2.gz JTLFVNKWNANKTF-NSHDSACASA-N 0 3 249.314 1.315 20 30 BDEDHN C#C[C@H]1CCCCN1CCC(=O)C1CC1 ZINC000934514544 631895483 /nfs/dbraw/zinc/89/54/83/631895483.db2.gz JIHPGGMLZSNJPV-LBPRGKRZSA-N 0 3 205.301 1.843 20 30 BDEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001023316401 632441025 /nfs/dbraw/zinc/44/10/25/632441025.db2.gz MPSITYAGFHBDOF-OLZOCXBDSA-N 0 3 248.370 1.494 20 30 BDEDHN C#C[C@H](N[C@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000309541644 632479849 /nfs/dbraw/zinc/47/98/49/632479849.db2.gz GAOMQZVWWMOHSD-YVECIDJPSA-N 0 3 223.316 1.324 20 30 BDEDHN COCC#CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309646499 632611884 /nfs/dbraw/zinc/61/18/84/632611884.db2.gz MLCOPVAVNYHUST-NSHDSACASA-N 0 3 219.284 1.693 20 30 BDEDHN C=CCCN1C[C@H](NC(=O)C(F)F)C(C)(C)C1 ZINC000972719329 632646496 /nfs/dbraw/zinc/64/64/96/632646496.db2.gz WFLADNMTJNZSNM-VIFPVBQESA-N 0 3 246.301 1.654 20 30 BDEDHN 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ZINC000602930147 349822316 /nfs/dbraw/zinc/82/23/16/349822316.db2.gz IBHWMNMLJRZYLQ-IJLUTSLNSA-N 0 3 240.347 1.132 20 30 BDEDHN C#CCN[C@H](C)c1cc(OC)ccc1O ZINC000019875552 166191819 /nfs/dbraw/zinc/19/18/19/166191819.db2.gz OAQANTFFFQFIAB-SECBINFHSA-N 0 3 205.257 1.685 20 30 BDEDHN CO[C@H]1CN(CC2(CC#N)CC2)[C@](C)(CO)C1 ZINC000602961550 349826477 /nfs/dbraw/zinc/82/64/77/349826477.db2.gz BROUJLLSNTVZGS-NEPJUHHUSA-N 0 3 238.331 1.152 20 30 BDEDHN C=CCNC(=O)CN(CC)C1CCCC1 ZINC000047966754 343677119 /nfs/dbraw/zinc/67/71/19/343677119.db2.gz XULQPRCLWOMWTE-UHFFFAOYSA-N 0 3 210.321 1.553 20 30 BDEDHN N#CCC1(CN2CCC[C@H](CO)C2)CC1 ZINC000083855150 343678633 /nfs/dbraw/zinc/67/86/33/343678633.db2.gz ABNJKPYDFGTHBK-NSHDSACASA-N 0 3 208.305 1.385 20 30 BDEDHN CCN1CCN(CCC(C)(C)C#N)CC1 ZINC000087595093 343653927 /nfs/dbraw/zinc/65/39/27/343653927.db2.gz SREUWMUJQJATNK-UHFFFAOYSA-N 0 3 209.337 1.564 20 30 BDEDHN CC(C)N1CCCN(c2ncccc2C#N)CC1 ZINC000049000789 187269480 /nfs/dbraw/zinc/26/94/80/187269480.db2.gz DAFWUKYCVPNMTN-UHFFFAOYSA-N 0 3 244.342 1.874 20 30 BDEDHN Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000380173411 343686811 /nfs/dbraw/zinc/68/68/11/343686811.db2.gz IRJFFGVXOREJHQ-NXEZZACHSA-N 0 3 204.277 1.500 20 30 BDEDHN Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)[nH]n1 ZINC000380173411 343686812 /nfs/dbraw/zinc/68/68/12/343686812.db2.gz IRJFFGVXOREJHQ-NXEZZACHSA-N 0 3 204.277 1.500 20 30 BDEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000380173420 343686871 /nfs/dbraw/zinc/68/68/71/343686871.db2.gz IRJFFGVXOREJHQ-VHSXEESVSA-N 0 3 204.277 1.500 20 30 BDEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)[nH]n1 ZINC000380173420 343686872 /nfs/dbraw/zinc/68/68/72/343686872.db2.gz IRJFFGVXOREJHQ-VHSXEESVSA-N 0 3 204.277 1.500 20 30 BDEDHN C[C@@H](CC#N)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000557634457 343715259 /nfs/dbraw/zinc/71/52/59/343715259.db2.gz FKMUYZOESFFYKX-MNOVXSKESA-N 0 3 223.320 1.089 20 30 BDEDHN C[C@@H](CCC#N)N[C@@H]1CCCn2nccc21 ZINC000603028866 349859054 /nfs/dbraw/zinc/85/90/54/349859054.db2.gz HCUJXJPNVTUJJF-WDEREUQCSA-N 0 3 218.304 2.000 20 30 BDEDHN C=C(CC)CN1CCC[C@H](N2CCOCC2)C1 ZINC000584180952 343770429 /nfs/dbraw/zinc/77/04/29/343770429.db2.gz JRTXSCGVZIUZPV-AWEZNQCLSA-N 0 3 238.375 1.749 20 30 BDEDHN N#CCCOCCN[C@@H]1CCCn2nccc21 ZINC000603030674 349859985 /nfs/dbraw/zinc/85/99/85/349859985.db2.gz VBBQDBXYXZJXAZ-LLVKDONJSA-N 0 3 234.303 1.238 20 30 BDEDHN CNC(=O)CCN(C)Cc1ccc(CC#N)cc1 ZINC000343551434 343751133 /nfs/dbraw/zinc/75/11/33/343751133.db2.gz MIERAKCGBLJDJZ-UHFFFAOYSA-N 0 3 245.326 1.321 20 30 BDEDHN C[C@H]1CC2(CCC2)CN1C(=O)[C@H](N)CCCC#N ZINC000576704766 343757939 /nfs/dbraw/zinc/75/79/39/343757939.db2.gz LXVSUKGFXGEJJY-NWDGAFQWSA-N 0 3 249.358 1.799 20 30 BDEDHN C=CC[C@H]1CCN([C@@H]2CCN(CC=C)C2=O)C1 ZINC000625700600 344040687 /nfs/dbraw/zinc/04/06/87/344040687.db2.gz CRDCYYGCCRIYLF-QWHCGFSZSA-N 0 3 234.343 1.671 20 30 BDEDHN CN1CCC[C@H]1CNC(=O)c1cscc1C#N ZINC000334215383 343839205 /nfs/dbraw/zinc/83/92/05/343839205.db2.gz JOXXTBQNIRQBCJ-JTQLQIEISA-N 0 3 249.339 1.444 20 30 BDEDHN CC[C@@]1(O)CCN(Cc2cccc(C#N)c2)C1 ZINC000334553572 343892156 /nfs/dbraw/zinc/89/21/56/343892156.db2.gz YPFYPXHWYOENJK-CQSZACIVSA-N 0 3 230.311 1.905 20 30 BDEDHN Cc1cc(CN2CC[C@@H](O)C2)ccc1C#N ZINC000334568523 343892542 /nfs/dbraw/zinc/89/25/42/343892542.db2.gz UXJPSBAZFOLKNU-CYBMUJFWSA-N 0 3 216.284 1.433 20 30 BDEDHN CCC[C@@H](N)c1cn(CC2(C#N)CC2)nn1 ZINC000603226711 349889140 /nfs/dbraw/zinc/88/91/40/349889140.db2.gz GCHMAHFVRWYNNR-SECBINFHSA-N 0 3 219.292 1.382 20 30 BDEDHN Cc1cc(CN2CCC(O)CC2)ccc1C#N ZINC000334694967 343900624 /nfs/dbraw/zinc/90/06/24/343900624.db2.gz BVPMKAQULRFABE-UHFFFAOYSA-N 0 3 230.311 1.823 20 30 BDEDHN N#Cc1cccc(CN[C@H]2CCN(C3CC3)C2)n1 ZINC000602545141 343902665 /nfs/dbraw/zinc/90/26/65/343902665.db2.gz NIXUQNYLPBGYAD-ZDUSSCGKSA-N 0 3 242.326 1.280 20 30 BDEDHN C[C@H](NCc1cccc(C#N)n1)[C@H]1CCCOC1 ZINC000602601761 343933366 /nfs/dbraw/zinc/93/33/66/343933366.db2.gz AZHXPXGNTUXZGF-RYUDHWBXSA-N 0 3 245.326 1.858 20 30 BDEDHN CC(C)C[C@H](CO)N(C)Cc1cccc(C#N)n1 ZINC000602664492 343949400 /nfs/dbraw/zinc/94/94/00/343949400.db2.gz FVCVOHHTFKOEKT-CQSZACIVSA-N 0 3 247.342 1.792 20 30 BDEDHN N#Cc1cccc(CNC[C@H](O)C2CCC2)n1 ZINC000602682232 343962165 /nfs/dbraw/zinc/96/21/65/343962165.db2.gz OSAISQDAMXEOSB-ZDUSSCGKSA-N 0 3 231.299 1.204 20 30 BDEDHN C=CC[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000625702970 344047716 /nfs/dbraw/zinc/04/77/16/344047716.db2.gz PCEKRVSXVNCJIE-DTWKUNHWSA-N 0 3 223.238 1.808 20 30 BDEDHN C=C(C)CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634743548 344161354 /nfs/dbraw/zinc/16/13/54/344161354.db2.gz XLFFASHXHMAJSB-GFCCVEGCSA-N 0 3 224.348 1.895 20 30 BDEDHN C=CCC[C@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634753481 344207252 /nfs/dbraw/zinc/20/72/52/344207252.db2.gz HDUAAIDKGYNGGT-QWRGUYRKSA-N 0 3 249.301 1.670 20 30 BDEDHN C#CCSCCNCc1cccnc1 ZINC000152928027 166202797 /nfs/dbraw/zinc/20/27/97/166202797.db2.gz MYHFDIVMLIJHFW-UHFFFAOYSA-N 0 3 206.314 1.538 20 30 BDEDHN COc1cc(CNCC(C)(C)CO)ccc1C#N ZINC000234832992 344273985 /nfs/dbraw/zinc/27/39/85/344273985.db2.gz CGRNOHKNUQPSDG-UHFFFAOYSA-N 0 3 248.326 1.675 20 30 BDEDHN C#CCSCCNCc1ccc(C(N)=O)cc1 ZINC000219226266 166203121 /nfs/dbraw/zinc/20/31/21/166203121.db2.gz BDXZMPXAXBOGIO-UHFFFAOYSA-N 0 3 248.351 1.242 20 30 BDEDHN Cc1cncc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600733225 344364658 /nfs/dbraw/zinc/36/46/58/344364658.db2.gz XESBFHRHJJFOGH-CYBMUJFWSA-N 0 3 245.326 1.534 20 30 BDEDHN N#CC1(C[C@@H](O)CNCc2ccncc2)CC1 ZINC000600715033 344365445 /nfs/dbraw/zinc/36/54/45/344365445.db2.gz XHQLHIOMHROCDS-GFCCVEGCSA-N 0 3 231.299 1.226 20 30 BDEDHN CO[C@H]1C[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000600613793 344336773 /nfs/dbraw/zinc/33/67/73/344336773.db2.gz DFVAIMFCKSDXRG-UTUOFQBUSA-N 0 3 221.304 1.445 20 30 BDEDHN CC(C#N)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000600759882 344369135 /nfs/dbraw/zinc/36/91/35/344369135.db2.gz IITSAVQOKUQQLP-NHCYSSNCSA-N 0 3 206.289 1.937 20 30 BDEDHN C=CC[C@H](CO)CNCc1ccc2c(n1)CCC2 ZINC000584277517 344374469 /nfs/dbraw/zinc/37/44/69/344374469.db2.gz YPJAITXDOUGSMH-LBPRGKRZSA-N 0 3 246.354 1.845 20 30 BDEDHN CN(Cc1ccc(C#N)cc1)C(C)(C)CO ZINC000135476814 344461621 /nfs/dbraw/zinc/46/16/21/344461621.db2.gz DMQQDUCBYMYIIO-UHFFFAOYSA-N 0 3 218.300 1.761 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@]12C[C@H]1CCC2 ZINC000491702267 347053105 /nfs/dbraw/zinc/05/31/05/347053105.db2.gz VKOOZRMOOCKXHD-TZMCWYRMSA-N 0 3 234.343 1.248 20 30 BDEDHN CN1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000135497288 344488792 /nfs/dbraw/zinc/48/87/92/344488792.db2.gz UUSPDQWWEMGWBX-JTQLQIEISA-N 0 3 235.356 1.804 20 30 BDEDHN C=CCN(C(=O)C(C)S(C)(=O)=O)C(C)(C)C ZINC000622943828 344499209 /nfs/dbraw/zinc/49/92/09/344499209.db2.gz SNVUSXJUIBYPCP-VIFPVBQESA-N 0 3 247.360 1.233 20 30 BDEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000381548777 344520119 /nfs/dbraw/zinc/52/01/19/344520119.db2.gz LPESSRXRIVXHKW-XHNCKOQMSA-N 0 3 236.237 1.582 20 30 BDEDHN Cc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000044811629 344549127 /nfs/dbraw/zinc/54/91/27/344549127.db2.gz AYCMDAVQYRNAQW-JTQLQIEISA-N 0 3 202.257 1.771 20 30 BDEDHN CC1(C#N)CCN(CC[C@H]2CCNC2=O)CC1 ZINC000395851926 344566467 /nfs/dbraw/zinc/56/64/67/344566467.db2.gz MZCZDLKVNBIQMR-LLVKDONJSA-N 0 3 235.331 1.138 20 30 BDEDHN N#CCC1(CN2CCC[C@H](O)CC2)CC1 ZINC000381980586 347057424 /nfs/dbraw/zinc/05/74/24/347057424.db2.gz FFOCWYHIFLMXPV-NSHDSACASA-N 0 3 208.305 1.527 20 30 BDEDHN Cc1ccc(CNC(=O)C(C)C#N)s1 ZINC000050226662 344659559 /nfs/dbraw/zinc/65/95/59/344659559.db2.gz RAOHNSCSAJBZJK-ZETCQYMHSA-N 0 3 208.286 1.832 20 30 BDEDHN C[C@H](C[S@](C)=O)NCc1ccc(C#N)cc1 ZINC000135528735 344741647 /nfs/dbraw/zinc/74/16/47/344741647.db2.gz HGLOYCSERAVBBT-QLJPJBMISA-N 0 3 236.340 1.415 20 30 BDEDHN CCN1CCCN(c2nc(C)ccc2C#N)CC1 ZINC000127947268 344689741 /nfs/dbraw/zinc/68/97/41/344689741.db2.gz MQSIDDYEBNUECB-UHFFFAOYSA-N 0 3 244.342 1.794 20 30 BDEDHN N#Cc1cc(CN(CCO)C2CCC2)ccn1 ZINC000221170791 344692366 /nfs/dbraw/zinc/69/23/66/344692366.db2.gz ZZPNREOIMQDNLO-UHFFFAOYSA-N 0 3 231.299 1.300 20 30 BDEDHN CN(C[C@@H]1CCCN1C)c1cnccc1C#N ZINC000135614334 344805190 /nfs/dbraw/zinc/80/51/90/344805190.db2.gz KXLDRGAGRPTSLY-LBPRGKRZSA-N 0 3 230.315 1.484 20 30 BDEDHN C[C@@H]1CCN(CC(=O)NCC#N)[C@H]2CCCC[C@@H]12 ZINC000609423443 344843652 /nfs/dbraw/zinc/84/36/52/344843652.db2.gz LHIQJVWNSAXWIH-AGIUHOORSA-N 0 3 249.358 1.527 20 30 BDEDHN C#CCOc1ccc(CN(CCO)C2CC2)cc1 ZINC000153614192 187295652 /nfs/dbraw/zinc/29/56/52/187295652.db2.gz SGTWGQQLWIRCEM-UHFFFAOYSA-N 0 3 245.322 1.655 20 30 BDEDHN C=C(C)CN1CCN(CCC(=O)OC)C[C@@H]1C ZINC000182102136 347085847 /nfs/dbraw/zinc/08/58/47/347085847.db2.gz OQARKGZCKGCKRX-LBPRGKRZSA-N 0 3 240.347 1.132 20 30 BDEDHN C[C@H](CN(C)C)Nc1nccc(C#N)c1Cl ZINC000235452824 344918634 /nfs/dbraw/zinc/91/86/34/344918634.db2.gz MKUNEVSDIMFTIL-MRVPVSSYSA-N 0 3 238.722 1.969 20 30 BDEDHN C=CCNC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000626105390 344972449 /nfs/dbraw/zinc/97/24/49/344972449.db2.gz DRCIHXORWNXXRU-AAEUAGOBSA-N 0 3 222.332 1.553 20 30 BDEDHN CC#CCCN1CCC[C@@H](NC(=O)CC)C1 ZINC000155326617 345077663 /nfs/dbraw/zinc/07/76/63/345077663.db2.gz ABYSDCVDXHCCDH-GFCCVEGCSA-N 0 3 222.332 1.390 20 30 BDEDHN CC#CCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000155692215 345096881 /nfs/dbraw/zinc/09/68/81/345096881.db2.gz CBJJFKKVVMLHAP-GFCCVEGCSA-N 0 3 220.316 1.143 20 30 BDEDHN N#CC1(CN[C@@H]2CCC[C@@H]2CCO)CC1 ZINC000331536066 345416987 /nfs/dbraw/zinc/41/69/87/345416987.db2.gz TUSWLBCOYQOBCD-GHMZBOCLSA-N 0 3 208.305 1.431 20 30 BDEDHN C=CCCC[C@H](C)N(C)CC(=O)NC1CC1 ZINC000091507791 345595753 /nfs/dbraw/zinc/59/57/53/345595753.db2.gz MUJHABYENRLZCJ-NSHDSACASA-N 0 3 224.348 1.942 20 30 BDEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000309501005 347088353 /nfs/dbraw/zinc/08/83/53/347088353.db2.gz LPESSRXRIVXHKW-HLTSFMKQSA-N 0 3 236.237 1.582 20 30 BDEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000289600298 345957020 /nfs/dbraw/zinc/95/70/20/345957020.db2.gz CNPKAELBLWUKQE-MFKMUULPSA-N 0 3 216.284 1.756 20 30 BDEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000295019125 187362925 /nfs/dbraw/zinc/36/29/25/187362925.db2.gz NMJVUNAENMREAL-ZDUSSCGKSA-N 0 3 246.354 1.998 20 30 BDEDHN C[C@H](CNCCC#N)N1CCC[C@@H](C)C1 ZINC000571040157 323104525 /nfs/dbraw/zinc/10/45/25/323104525.db2.gz VCZOKKGBIUVZEO-VXGBXAGGSA-N 0 3 209.337 1.610 20 30 BDEDHN C#CCN[C@@H](CC(=O)OC)C1CCCCC1 ZINC000390407304 259387631 /nfs/dbraw/zinc/38/76/31/259387631.db2.gz BYZODZJVJPXWCY-LBPRGKRZSA-N 0 3 223.316 1.721 20 30 BDEDHN C=CC[C@H](CO)NCc1cc(F)ccc1OC ZINC000291083675 346262862 /nfs/dbraw/zinc/26/28/62/346262862.db2.gz VTRNNZWAENOZPI-GFCCVEGCSA-N 0 3 239.290 1.861 20 30 BDEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000631486849 346280150 /nfs/dbraw/zinc/28/01/50/346280150.db2.gz DEFHRASSNAPSNT-NWDGAFQWSA-N 0 3 236.359 1.942 20 30 BDEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000631486847 346280219 /nfs/dbraw/zinc/28/02/19/346280219.db2.gz DEFHRASSNAPSNT-NEPJUHHUSA-N 0 3 236.359 1.942 20 30 BDEDHN CC#CC[C@@H](CO)NCc1cccc(C)c1 ZINC000641768562 362707545 /nfs/dbraw/zinc/70/75/45/362707545.db2.gz CBNGCOSOBXMHHS-AWEZNQCLSA-N 0 3 217.312 1.859 20 30 BDEDHN CC#CC[C@H](CO)NCc1scnc1C ZINC000641768770 362707595 /nfs/dbraw/zinc/70/75/95/362707595.db2.gz HLTCAARQMIZZGE-SNVBAGLBSA-N 0 3 224.329 1.315 20 30 BDEDHN C=CCSCCNCc1n[nH]cc1C ZINC000289421520 346350698 /nfs/dbraw/zinc/35/06/98/346350698.db2.gz COINMQJFJXSXIN-UHFFFAOYSA-N 0 3 211.334 1.727 20 30 BDEDHN CC#CC[C@H](CO)NCc1csc(C)c1 ZINC000641767438 362700892 /nfs/dbraw/zinc/70/08/92/362700892.db2.gz KZSQAJJULWNFOJ-GFCCVEGCSA-N 0 3 223.341 1.920 20 30 BDEDHN CC#CC[C@@H](CO)NCc1cccc(F)c1 ZINC000641769751 362704373 /nfs/dbraw/zinc/70/43/73/362704373.db2.gz ZTQZPXSAUNINOT-ZDUSSCGKSA-N 0 3 221.275 1.690 20 30 BDEDHN CC#CC[C@@H](CO)NCc1ccc(CO)cc1 ZINC000641768245 362705774 /nfs/dbraw/zinc/70/57/74/362705774.db2.gz YMQLFAUYAKPRMV-AWEZNQCLSA-N 0 3 233.311 1.043 20 30 BDEDHN C=CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000636170187 346343341 /nfs/dbraw/zinc/34/33/41/346343341.db2.gz OPYQDXBKJSXTEZ-LBPRGKRZSA-N 0 3 222.332 1.696 20 30 BDEDHN CC#CCN1CC[C@@H](c2nccn2C)C1 ZINC000577086228 365810777 /nfs/dbraw/zinc/81/07/77/365810777.db2.gz MWGJUJQFYRLNDN-LLVKDONJSA-N 0 3 203.289 1.233 20 30 BDEDHN CS[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000300405224 346612844 /nfs/dbraw/zinc/61/28/44/346612844.db2.gz HENUCGXAUUJLOU-OPRDCNLKSA-N 0 3 226.345 1.936 20 30 BDEDHN C[C@H](CCC#N)N1CCC(NC(=O)C2CC2)CC1 ZINC000580648203 365842883 /nfs/dbraw/zinc/84/28/83/365842883.db2.gz DRJFXVCJZOXAEQ-LLVKDONJSA-N 0 3 249.358 1.669 20 30 BDEDHN CC(C)[C@@H](CO)CNC[C@@H](C#N)CCC#N ZINC000580647590 365843098 /nfs/dbraw/zinc/84/30/98/365843098.db2.gz VCSOCMHEZUDUFV-VXGBXAGGSA-N 0 3 223.320 1.284 20 30 BDEDHN C=CCNC(=O)CN(CC(C)C)C(C)C ZINC000192849036 365848328 /nfs/dbraw/zinc/84/83/28/365848328.db2.gz LULABODMGSGBHE-UHFFFAOYSA-N 0 3 212.337 1.655 20 30 BDEDHN CN1C[C@@H]2CCN(Cc3ccccc3C#N)[C@@H]2C1 ZINC000590009507 346762932 /nfs/dbraw/zinc/76/29/32/346762932.db2.gz OGMDCTOBUHIMFV-LSDHHAIUSA-N 0 3 241.338 1.694 20 30 BDEDHN CN1C[C@H]2CCN(Cc3ccccc3C#N)[C@H]2C1 ZINC000590009504 346763043 /nfs/dbraw/zinc/76/30/43/346763043.db2.gz OGMDCTOBUHIMFV-CABCVRRESA-N 0 3 241.338 1.694 20 30 BDEDHN N#CCCOCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000590154457 346781303 /nfs/dbraw/zinc/78/13/03/346781303.db2.gz ANCVLIQGDRUEAT-LBPRGKRZSA-N 0 3 248.330 1.519 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000070267073 133642514 /nfs/dbraw/zinc/64/25/14/133642514.db2.gz ITQXDORZHVNEMU-DCAQKATOSA-N 0 3 210.321 1.550 20 30 BDEDHN CC[C@H](C)[C@@H](C)N1CCN(CCC#N)CC1 ZINC000601315104 347197282 /nfs/dbraw/zinc/19/72/82/347197282.db2.gz VUHCFSLNJGBNLV-QWHCGFSZSA-N 0 3 223.364 1.952 20 30 BDEDHN C=CCN1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000364044880 347247394 /nfs/dbraw/zinc/24/73/94/347247394.db2.gz ZXBQUHPQBPZSPY-AXFHLTTASA-N 0 3 208.305 1.291 20 30 BDEDHN 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CC(C#N)C(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729496 348792222 /nfs/dbraw/zinc/79/22/22/348792222.db2.gz KCNYGJFGLYAILC-PSASIEDQSA-N 0 3 218.260 1.233 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000597695308 348794799 /nfs/dbraw/zinc/79/47/99/348794799.db2.gz BLZJMFLMFHPWET-OCCSQVGLSA-N 0 3 249.358 1.480 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000597695310 348794873 /nfs/dbraw/zinc/79/48/73/348794873.db2.gz BLZJMFLMFHPWET-TZMCWYRMSA-N 0 3 249.358 1.480 20 30 BDEDHN C[C@H](CC#N)C(=O)NCCN1CCCC1(C)C ZINC000597757054 348797510 /nfs/dbraw/zinc/79/75/10/348797510.db2.gz KNZKBWLCFWSCID-LLVKDONJSA-N 0 3 237.347 1.527 20 30 BDEDHN C=CC[C@H](CO)NCc1cccc(F)c1F ZINC000184269536 348756289 /nfs/dbraw/zinc/75/62/89/348756289.db2.gz AQBYJMPXFBJNLF-SNVBAGLBSA-N 0 3 227.254 1.991 20 30 BDEDHN C[C@@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710733 192375200 /nfs/dbraw/zinc/37/52/00/192375200.db2.gz MBXPGFWBPLIPMW-NTZNESFSSA-N 0 3 235.331 1.089 20 30 BDEDHN COC(=O)c1ccccc1CNC(=O)C(C)C#N ZINC000597615063 348763431 /nfs/dbraw/zinc/76/34/31/348763431.db2.gz UEEXUBDOYWGCPJ-SECBINFHSA-N 0 3 246.266 1.249 20 30 BDEDHN CC(C)(C)N1CC[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000597861699 348829668 /nfs/dbraw/zinc/82/96/68/348829668.db2.gz VQGPWRRPYHQETI-NSHDSACASA-N 0 3 249.358 1.669 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccccn1 ZINC000597866314 348831973 /nfs/dbraw/zinc/83/19/73/348831973.db2.gz WBFPVENXJUWZEI-VHSXEESVSA-N 0 3 217.272 1.461 20 30 BDEDHN CC(C#N)C(=O)NCCc1ccc(C#N)cc1 ZINC000597890114 348834774 /nfs/dbraw/zinc/83/47/74/348834774.db2.gz BKLVIDCSZJZZTP-JTQLQIEISA-N 0 3 227.267 1.377 20 30 BDEDHN COC1CC(CCNC(=O)C(C)C#N)C1 ZINC000597862601 348836370 /nfs/dbraw/zinc/83/63/70/348836370.db2.gz VWQGTUZALOBPKY-XNWIYYODSA-N 0 3 210.277 1.077 20 30 BDEDHN CC(C)(C)N1CC[C@H](NC(=O)C2(C#N)CCC2)C1 ZINC000597923206 348836922 /nfs/dbraw/zinc/83/69/22/348836922.db2.gz MVKGTAHQIPLLJJ-NSHDSACASA-N 0 3 249.358 1.669 20 30 BDEDHN CC(C#N)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000597921905 348837116 /nfs/dbraw/zinc/83/71/16/348837116.db2.gz GNRDYVQNPIJLDS-JOYOIKCWSA-N 0 3 222.288 1.174 20 30 BDEDHN CCN(CC)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597910229 348842796 /nfs/dbraw/zinc/84/27/96/348842796.db2.gz XMDNTAGQINSGBU-GFCCVEGCSA-N 0 3 237.347 1.480 20 30 BDEDHN C=CCN(C(=O)C(C)C#N)[C@H](C)COC ZINC000597952988 348848525 /nfs/dbraw/zinc/84/85/25/348848525.db2.gz ZHMPUQVPNFOAOJ-VHSXEESVSA-N 0 3 210.277 1.196 20 30 BDEDHN C=CCN(C(=O)C(C)C#N)[C@H](C)COC ZINC000597952986 348848760 /nfs/dbraw/zinc/84/87/60/348848760.db2.gz ZHMPUQVPNFOAOJ-NXEZZACHSA-N 0 3 210.277 1.196 20 30 BDEDHN COCC1(C2CCC2)CN(C(=O)C(C)C#N)C1 ZINC000598060343 348870327 /nfs/dbraw/zinc/87/03/27/348870327.db2.gz CFDREIUGZONRQO-JTQLQIEISA-N 0 3 236.315 1.421 20 30 BDEDHN CC[C@H](C#N)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000598039804 348873166 /nfs/dbraw/zinc/87/31/66/348873166.db2.gz NJUMEXMQLPLUEG-VXGBXAGGSA-N 0 3 237.347 1.479 20 30 BDEDHN CC(C#N)C(=O)NCC1(O)CCC(C)(C)CC1 ZINC000598338530 348933097 /nfs/dbraw/zinc/93/30/97/348933097.db2.gz NEJDAGTXNIQBQQ-SNVBAGLBSA-N 0 3 238.331 1.594 20 30 BDEDHN C[C@@H](C#N)CNC1CCN(CC(F)(F)F)CC1 ZINC000054181378 348896401 /nfs/dbraw/zinc/89/64/01/348896401.db2.gz OKTHGHNHEMSRKX-VIFPVBQESA-N 0 3 249.280 1.762 20 30 BDEDHN CCN(CC)CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598130389 348897866 /nfs/dbraw/zinc/89/78/66/348897866.db2.gz QDNSGDGQMRVSCN-SNVBAGLBSA-N 0 3 223.320 1.231 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000598298596 348924522 /nfs/dbraw/zinc/92/45/22/348924522.db2.gz IWYKNVWGXJZVJK-BBBLOLIVSA-N 0 3 210.277 1.172 20 30 BDEDHN CC[C@H]1CCN1C[C@H](O)CC(C)(C)C#N ZINC000598618791 349002075 /nfs/dbraw/zinc/00/20/75/349002075.db2.gz QMMPZVKUPHZGFE-WDEREUQCSA-N 0 3 210.321 1.771 20 30 BDEDHN CC(C)[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCN1 ZINC000598577825 348994083 /nfs/dbraw/zinc/99/40/83/348994083.db2.gz XZRSHZMCRLFNLM-LBPRGKRZSA-N 0 3 249.358 1.527 20 30 BDEDHN CC(C)[C@@H]1CN(C(=O)CC2(C#N)CC2)CCN1 ZINC000598575713 348994277 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1.601 20 30 BDEDHN C#CC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000754023573 585275636 /nfs/dbraw/zinc/27/56/36/585275636.db2.gz FGMKPDBMBGALOI-CYBMUJFWSA-N 0 3 234.343 1.434 20 30 BDEDHN N=C(N)NN=Cc1c(C2CC2)nc2sccn12 ZINC000755631829 585302727 /nfs/dbraw/zinc/30/27/27/585302727.db2.gz BGPISOVNFUQNJQ-UHFFFAOYSA-N 0 3 248.315 1.090 20 30 BDEDHN Cc1nn(C(C)(C)C)c(C)c1C=NNC(=N)N ZINC000755631833 585302853 /nfs/dbraw/zinc/30/28/53/585302853.db2.gz BIRDIKXRVQAJHO-UHFFFAOYSA-N 0 3 236.323 1.072 20 30 BDEDHN CC#CCCNC(=O)C1(N(C)C)CCC1 ZINC000756130883 585314858 /nfs/dbraw/zinc/31/48/58/585314858.db2.gz HRCRDQRIFKRMRT-UHFFFAOYSA-N 0 3 208.305 1.000 20 30 BDEDHN CCN(CC(=O)NCCC#N)C1CC(C)(C)C1 ZINC000839666475 585334579 /nfs/dbraw/zinc/33/45/79/585334579.db2.gz RQDIPSZAUYWCBZ-UHFFFAOYSA-N 0 3 237.347 1.527 20 30 BDEDHN CN(C)c1ccc(C=NNC2CC2)cc1 ZINC000758127318 585349668 /nfs/dbraw/zinc/34/96/68/585349668.db2.gz OAVRHLIAFPGQIN-UHFFFAOYSA-N 0 3 203.289 1.839 20 30 BDEDHN C#CCCCC(=O)N(CCC)CCN(C)C ZINC000758447179 585356063 /nfs/dbraw/zinc/35/60/63/585356063.db2.gz FBJVEJGZVUUFMS-UHFFFAOYSA-N 0 3 224.348 1.590 20 30 BDEDHN CCCCCCCN(C)[C@H]1CCNC1=O ZINC000759425885 585372976 /nfs/dbraw/zinc/37/29/76/585372976.db2.gz XPNBOUMMBDCJFO-NSHDSACASA-N 0 3 212.337 1.777 20 30 BDEDHN C=CCN(CCCCS(C)(=O)=O)C(C)C ZINC000759689980 585378592 /nfs/dbraw/zinc/37/85/92/585378592.db2.gz DQHFTNQEOCXHBI-UHFFFAOYSA-N 0 3 233.377 1.708 20 30 BDEDHN CC[C@H](C)OCC(=O)C(C#N)c1ccncn1 ZINC000760345729 585391010 /nfs/dbraw/zinc/39/10/10/585391010.db2.gz NBIONHVIWQYZCG-UWVGGRQHSA-N 0 3 233.271 1.468 20 30 BDEDHN C#CCCN(CCO)CCc1ccccc1 ZINC000760834191 585398919 /nfs/dbraw/zinc/39/89/19/585398919.db2.gz VEQHENQDTASWMS-UHFFFAOYSA-N 0 3 217.312 1.547 20 30 BDEDHN C#CCCN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000760843852 585399064 /nfs/dbraw/zinc/39/90/64/585399064.db2.gz QXJMUMFQMJRUPG-UONOGXRCSA-N 0 3 236.359 1.731 20 30 BDEDHN CC1(C2CCN(CCCC#N)CC2)OCCO1 ZINC000760901418 585401319 /nfs/dbraw/zinc/40/13/19/585401319.db2.gz SGDIGOLQKPIKLL-UHFFFAOYSA-N 0 3 238.331 1.765 20 30 BDEDHN C[C@@H]1CN(CCCSCC#N)CCN1C ZINC000761076730 585406159 /nfs/dbraw/zinc/40/61/59/585406159.db2.gz JLBXYPLHNWDTEO-LLVKDONJSA-N 0 3 227.377 1.269 20 30 BDEDHN C[C@H]1CN(CC#Cc2ccc(F)cc2)CCN1C ZINC000761084346 585407271 /nfs/dbraw/zinc/40/72/71/585407271.db2.gz YZFHCJSTODWADX-ZDUSSCGKSA-N 0 3 246.329 1.813 20 30 BDEDHN C#CCOCCN(C)CCOc1cccc(C)c1 ZINC000761108337 585409766 /nfs/dbraw/zinc/40/97/66/585409766.db2.gz LAFVVSBNHFOZHC-UHFFFAOYSA-N 0 3 247.338 1.955 20 30 BDEDHN C[C@H]1CC(N=Nc2cnn(C)c2)CN1C1CC1 ZINC000761869953 585421156 /nfs/dbraw/zinc/42/11/56/585421156.db2.gz NXDUTKBVTMRPOU-VIFPVBQESA-N 0 3 233.319 1.445 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000762689010 585435300 /nfs/dbraw/zinc/43/53/00/585435300.db2.gz HTKJCPSAJABLAN-NQBHXWOUSA-N 0 3 246.310 1.774 20 30 BDEDHN C#CCCCCC(=O)NCCN1CC=C(C)CC1 ZINC000762704632 585435512 /nfs/dbraw/zinc/43/55/12/585435512.db2.gz WQPNAQADYUTMHV-UHFFFAOYSA-N 0 3 248.370 1.948 20 30 BDEDHN C#CCCCCC(=O)N(CCN(C)C)C1CC1 ZINC000763005927 585441135 /nfs/dbraw/zinc/44/11/35/585441135.db2.gz BGWRSCPQMNMJBB-UHFFFAOYSA-N 0 3 236.359 1.733 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C(C)C)C1CC1 ZINC000764492320 585466860 /nfs/dbraw/zinc/46/68/60/585466860.db2.gz CLYFTJWGQJALLM-UHFFFAOYSA-N 0 3 210.321 1.504 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000764580749 585468083 /nfs/dbraw/zinc/46/80/83/585468083.db2.gz CYZZFRZXZIQSOH-OLZOCXBDSA-N 0 3 236.359 1.895 20 30 BDEDHN C#CCCCN1CCC[C@H](c2nnc(C)o2)C1 ZINC000766896660 585510017 /nfs/dbraw/zinc/51/00/17/585510017.db2.gz WVNNYIRWRKHRJK-LBPRGKRZSA-N 0 3 233.315 1.971 20 30 BDEDHN C#CCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000766935787 585512287 /nfs/dbraw/zinc/51/22/87/585512287.db2.gz PPVWEDQLRDPHPJ-HZSPNIEDSA-N 0 3 237.343 1.668 20 30 BDEDHN COC(=O)CCCC[C@@H](C)C(C)N=NC(=N)N ZINC000767743075 585525388 /nfs/dbraw/zinc/52/53/88/585525388.db2.gz FWWFSMIBTKGWIU-MRVPVSSYSA-N 0 3 242.323 1.215 20 30 BDEDHN CO[C@H](C(=O)C(C#N)c1ccccn1)C(C)C ZINC000770839839 585582818 /nfs/dbraw/zinc/58/28/18/585582818.db2.gz QKRTXWFEFDBHGC-MFKMUULPSA-N 0 3 232.283 1.929 20 30 BDEDHN C[C@@H](CC#N)NN=C1CCN(C)[C@@H](C)C1 ZINC000771885038 585603403 /nfs/dbraw/zinc/60/34/03/585603403.db2.gz HZMHTYALBJTCAI-UWVGGRQHSA-N 0 3 208.309 1.348 20 30 BDEDHN CCN(CC)CCOC(=O)c1cc(C#N)c[nH]1 ZINC000772168454 585609507 /nfs/dbraw/zinc/60/95/07/585609507.db2.gz ALKQABLUJYTAAY-UHFFFAOYSA-N 0 3 235.287 1.385 20 30 BDEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NCCC#N ZINC000772341103 585613068 /nfs/dbraw/zinc/61/30/68/585613068.db2.gz CDNZZWFURNSGAC-GHMZBOCLSA-N 0 3 223.320 1.279 20 30 BDEDHN C#C[C@@H](C)NC(=O)NCCN(C)CCCC ZINC000773592269 585641279 /nfs/dbraw/zinc/64/12/79/585641279.db2.gz ZPCNHSKSNUZNBS-LLVKDONJSA-N 0 3 225.336 1.039 20 30 BDEDHN C#CC[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774131481 585651258 /nfs/dbraw/zinc/65/12/58/585651258.db2.gz UHNRGAGJMIBQSH-QWRGUYRKSA-N 0 3 237.299 1.056 20 30 BDEDHN CC1(C)OCC(N[C@H]2CCC[C@@H](C#N)C2)CO1 ZINC000774347887 585656848 /nfs/dbraw/zinc/65/68/48/585656848.db2.gz LRRQMWRTNWNLML-MNOVXSKESA-N 0 3 238.331 1.810 20 30 BDEDHN C#C[C@@H](NCCCOC(C)(C)C)[C@@H]1CCCO1 ZINC000775789916 585684859 /nfs/dbraw/zinc/68/48/59/585684859.db2.gz FBPGLQPHMWQDSO-OLZOCXBDSA-N 0 3 239.359 1.962 20 30 BDEDHN C#C[C@H](NCCC(=O)OC(C)C)[C@H]1CCCO1 ZINC000775792206 585684969 /nfs/dbraw/zinc/68/49/69/585684969.db2.gz YRHUXOUASWUFEE-NWDGAFQWSA-N 0 3 239.315 1.099 20 30 BDEDHN C#C[C@@H](NCCCn1ccnc1)[C@H]1CCCO1 ZINC000775796481 585685281 /nfs/dbraw/zinc/68/52/81/585685281.db2.gz YQAKDOULMBXCNL-CHWSQXEVSA-N 0 3 233.315 1.044 20 30 BDEDHN C#C[C@@H](NCCCc1nc(C)no1)[C@@H]1CCCO1 ZINC000775806928 585685427 /nfs/dbraw/zinc/68/54/27/585685427.db2.gz OXPVIPRFWULMEC-NEPJUHHUSA-N 0 3 249.314 1.081 20 30 BDEDHN C#CCCN1CCN(C[C@@H]2CCCOC2)CC1 ZINC000776593358 585702140 /nfs/dbraw/zinc/70/21/40/585702140.db2.gz IQYQTUQOALXVGO-AWEZNQCLSA-N 0 3 236.359 1.054 20 30 BDEDHN COC[C@@H](C)NN=C1CCN(C)[C@@H](C)C1 ZINC000777894069 585722200 /nfs/dbraw/zinc/72/22/00/585722200.db2.gz ZHPRXUCAWUWNJU-ZJUUUORDSA-N 0 3 213.325 1.081 20 30 BDEDHN COC[C@@H](C)NN=Cc1ccc(N(C)C)cc1 ZINC000777902178 585723345 /nfs/dbraw/zinc/72/33/45/585723345.db2.gz OWSKUPHCZCAXKH-LLVKDONJSA-N 0 3 235.331 1.711 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1C=CCCC1 ZINC000778606732 585738090 /nfs/dbraw/zinc/73/80/90/585738090.db2.gz OKRMUBSPEQROJS-RYUDHWBXSA-N 0 3 246.310 1.744 20 30 BDEDHN C[C@@H]1CNC(NN=C[C@@H]2CCC[C@@H](C)C2)=N1 ZINC000779794512 585764391 /nfs/dbraw/zinc/76/43/91/585764391.db2.gz JMNDVXASUYEUJV-GMTAPVOTSA-N 0 3 222.336 1.736 20 30 BDEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cn2)CCO1 ZINC000780555201 585781155 /nfs/dbraw/zinc/78/11/55/585781155.db2.gz PJCDFVXMLMPGKS-CMPLNLGQSA-N 0 3 231.299 1.610 20 30 BDEDHN C#CCCN1CCC[C@H](OC(F)F)C1 ZINC000781357473 585795114 /nfs/dbraw/zinc/79/51/14/585795114.db2.gz PPFLTLIVXNBCNH-VIFPVBQESA-N 0 3 203.232 1.713 20 30 BDEDHN Cc1cc(N2CCC(CC#N)CC2)nc(N)n1 ZINC000781675462 585801786 /nfs/dbraw/zinc/80/17/86/585801786.db2.gz FKECGIIQFVXHBS-UHFFFAOYSA-N 0 3 231.303 1.497 20 30 BDEDHN C=C(C)CNC(=S)NCC1(N(C)C)CCC1 ZINC000782215709 585812492 /nfs/dbraw/zinc/81/24/92/585812492.db2.gz XEXXIFCXJRMGGB-UHFFFAOYSA-N 0 3 241.404 1.511 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)[C@@H]2CCCC[C@H]21 ZINC000782504648 585819245 /nfs/dbraw/zinc/81/92/45/585819245.db2.gz RSCLJFVCRMXTLD-FRRDWIJNSA-N 0 3 249.358 1.527 20 30 BDEDHN N#CCc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782613811 585822271 /nfs/dbraw/zinc/82/22/71/585822271.db2.gz CAAZOILQUDHUKQ-CABCVRRESA-N 0 3 242.322 1.567 20 30 BDEDHN N#CCc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782613815 585822346 /nfs/dbraw/zinc/82/23/46/585822346.db2.gz CAAZOILQUDHUKQ-LSDHHAIUSA-N 0 3 242.322 1.567 20 30 BDEDHN C[C@H]1CCCCN1CCNC(=O)NCCC#N ZINC000783644578 585839117 /nfs/dbraw/zinc/83/91/17/585839117.db2.gz DRHMDSVNWYKNCG-NSHDSACASA-N 0 3 238.335 1.074 20 30 BDEDHN C#CCOc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1 ZINC000788270826 585920264 /nfs/dbraw/zinc/92/02/64/585920264.db2.gz SNPXSKODBCVXJH-GXTWGEPZSA-N 0 3 245.322 1.654 20 30 BDEDHN N#CCCCN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788468537 585925033 /nfs/dbraw/zinc/92/50/33/585925033.db2.gz CCPRZUNDMAGLNK-LBPRGKRZSA-N 0 3 248.330 1.459 20 30 BDEDHN Cn1ccnc1N=NC1CCN2CCC[C@@H]12 ZINC000790301512 585963115 /nfs/dbraw/zinc/96/31/15/585963115.db2.gz FBBWVRPWQDNUED-JTQLQIEISA-N 0 3 219.292 1.056 20 30 BDEDHN CC(C)N1CC(N=Nc2cncnc2)[C@H](C)C1 ZINC000794979791 586061488 /nfs/dbraw/zinc/06/14/88/586061488.db2.gz SZQIAYYGADGEKB-SNVBAGLBSA-N 0 3 233.319 1.605 20 30 BDEDHN N#CCC1CCN(Cc2cnc[nH]2)CC1 ZINC000796447729 586103307 /nfs/dbraw/zinc/10/33/07/586103307.db2.gz BSJNMNIGPFTHSF-UHFFFAOYSA-N 0 3 204.277 1.535 20 30 BDEDHN C#CCCCN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000796556268 586106651 /nfs/dbraw/zinc/10/66/51/586106651.db2.gz OKJJPIKSCBMDHN-OLZOCXBDSA-N 0 3 223.316 1.280 20 30 BDEDHN C[C@@H]1CC(N=NCC(C)(C)CO)CN1C1CC1 ZINC000799115448 586158049 /nfs/dbraw/zinc/15/80/49/586158049.db2.gz XZFSTIAMAGDYMA-SNVBAGLBSA-N 0 3 239.363 1.207 20 30 BDEDHN C#CCCCN1CCN(c2cnccc2C)CC1 ZINC000799188569 586165860 /nfs/dbraw/zinc/16/58/60/586165860.db2.gz NVVMECPMPQESRN-UHFFFAOYSA-N 0 3 243.354 1.925 20 30 BDEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2ccccn2)C1 ZINC000799197795 586167410 /nfs/dbraw/zinc/16/74/10/586167410.db2.gz JTBDPWAJTJKLSF-GXTWGEPZSA-N 0 3 232.327 1.808 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](CCO)Cc1ccccc1 ZINC000799800265 586196915 /nfs/dbraw/zinc/19/69/15/586196915.db2.gz MRMMQKGPNWUKAX-YPMHNXCESA-N 0 3 246.310 1.256 20 30 BDEDHN CC(=NNC(=N)N)c1cnn(C2CCCC2)c1 ZINC000799874955 586198817 /nfs/dbraw/zinc/19/88/17/586198817.db2.gz HKJHYERNTQNAJL-UHFFFAOYSA-N 0 3 234.307 1.205 20 30 BDEDHN C=CCN(CCN1CCO[C@H](C)C1)C(C)C ZINC000800335556 586211955 /nfs/dbraw/zinc/21/19/55/586211955.db2.gz OIYFGIYRQRONCZ-CYBMUJFWSA-N 0 3 226.364 1.604 20 30 BDEDHN CC#CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000801111728 586242134 /nfs/dbraw/zinc/24/21/34/586242134.db2.gz CWHIAXVYXOHRAJ-AWEZNQCLSA-N 0 3 244.338 1.299 20 30 BDEDHN COCC#CCN[C@H]1CCc2ccccc2OC1 ZINC000801576342 586264744 /nfs/dbraw/zinc/26/47/44/586264744.db2.gz YROBKGYLQPBDTM-AWEZNQCLSA-N 0 3 245.322 1.620 20 30 BDEDHN C#CCOC(=O)C1CCN(C2CC2)CC1 ZINC000801872350 586275889 /nfs/dbraw/zinc/27/58/89/586275889.db2.gz QHYVTUDPLBPUOH-UHFFFAOYSA-N 0 3 207.273 1.037 20 30 BDEDHN CCN1C[C@H](C)N(CCO[C@H](C)C#N)C[C@@H]1C ZINC000801936522 586279539 /nfs/dbraw/zinc/27/95/39/586279539.db2.gz VEPYHAAUHCFNTP-RWMBFGLXSA-N 0 3 239.363 1.330 20 30 BDEDHN Cc1ccccc1[C@@H](CO)NCCO[C@H](C)C#N ZINC000801939649 586280606 /nfs/dbraw/zinc/28/06/06/586280606.db2.gz UTFMAQCUVQXVOW-TZMCWYRMSA-N 0 3 248.326 1.547 20 30 BDEDHN COCC1=CCN(CCO[C@H](C)C#N)CC1 ZINC000801943567 586281581 /nfs/dbraw/zinc/28/15/81/586281581.db2.gz ZGSVJNQAWWUFDM-LLVKDONJSA-N 0 3 224.304 1.194 20 30 BDEDHN C=CCN(CCOC)CCO[C@H](C)C#N ZINC000801949002 586282548 /nfs/dbraw/zinc/28/25/48/586282548.db2.gz JJZWXKPLOWMPLM-LLVKDONJSA-N 0 3 212.293 1.049 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000803247439 586340394 /nfs/dbraw/zinc/34/03/94/586340394.db2.gz GZYLAMCIYHNABH-GFCCVEGCSA-N 0 3 248.330 1.191 20 30 BDEDHN C=CCN1CCN(CN2CC[C@@H](C3CC3)C2)C1=O ZINC000840034530 586385897 /nfs/dbraw/zinc/38/58/97/586385897.db2.gz HMRQOZBZENQCTK-CYBMUJFWSA-N 0 3 249.358 1.599 20 30 BDEDHN C#Cc1ccc(CNC[C@](C)(O)COC)cc1 ZINC000809616902 586509289 /nfs/dbraw/zinc/50/92/89/586509289.db2.gz BNHAMAISJYTUEW-AWEZNQCLSA-N 0 3 233.311 1.155 20 30 BDEDHN C#Cc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000809649689 586510538 /nfs/dbraw/zinc/51/05/38/586510538.db2.gz AGPIYVHNZHNOBB-LSDHHAIUSA-N 0 3 227.307 1.482 20 30 BDEDHN C#C[C@@H](NCCc1ccncc1)[C@H]1CCCO1 ZINC000809981097 586528297 /nfs/dbraw/zinc/52/82/97/586528297.db2.gz ZDSPVVWKEFNCKI-ZIAGYGMSSA-N 0 3 230.311 1.395 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810532351 586540131 /nfs/dbraw/zinc/54/01/31/586540131.db2.gz SLHSCQGXZRYLEF-SECBINFHSA-N 0 3 238.262 1.137 20 30 BDEDHN CC[C@H](C)NN=Cc1cnc(N(C)C)n1C ZINC000811648711 586562712 /nfs/dbraw/zinc/56/27/12/586562712.db2.gz PKWFPPKCQLISDZ-VIFPVBQESA-N 0 3 223.324 1.208 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@@H](n2cccn2)C1 ZINC000812876767 586588449 /nfs/dbraw/zinc/58/84/49/586588449.db2.gz LDYBAXWFLWQLNE-VXGBXAGGSA-N 0 3 234.303 1.059 20 30 BDEDHN C#CCCCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000814147200 586614629 /nfs/dbraw/zinc/61/46/29/586614629.db2.gz XLHWFNFNYXXNDL-ZIAGYGMSSA-N 0 3 248.370 1.733 20 30 BDEDHN CCOc1ccc2c(c1)C(=NNC(=N)N)CCO2 ZINC000814796420 586634332 /nfs/dbraw/zinc/63/43/32/586634332.db2.gz CFTCFMZUIIUJHT-UHFFFAOYSA-N 0 3 248.286 1.055 20 30 BDEDHN COCC(=NNC(=N)N)c1cccc(Cl)c1 ZINC000814796891 586635020 /nfs/dbraw/zinc/63/50/20/586635020.db2.gz VIZIHAMSOZNBFZ-UHFFFAOYSA-N 0 3 240.694 1.174 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1nccs1 ZINC000814885540 586642928 /nfs/dbraw/zinc/64/29/28/586642928.db2.gz CRIBVNJTBRBOJD-RKDXNWHRSA-N 0 3 249.343 1.337 20 30 BDEDHN CC(CC(F)(F)F)=NNC1=NC[C@@H](C)N1 ZINC000814898149 586645806 /nfs/dbraw/zinc/64/58/06/586645806.db2.gz QCXOEGCJPWLLOV-ZCFIWIBFSA-N 0 3 222.214 1.252 20 30 BDEDHN C[C@H]1CNC(NN=C2CC(c3ccccc3)C2)=N1 ZINC000814898981 586645884 /nfs/dbraw/zinc/64/58/84/586645884.db2.gz XQMSXMOMFQJZMD-NUHJPDEHSA-N 0 3 242.326 1.857 20 30 BDEDHN CC(=NNC[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000814964072 586661033 /nfs/dbraw/zinc/66/10/33/586661033.db2.gz VHAHRZLOOQNOAF-JTQLQIEISA-N 0 3 235.331 1.447 20 30 BDEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)N1CCCC1 ZINC000815905014 586696671 /nfs/dbraw/zinc/69/66/71/586696671.db2.gz WSMLGHWZWICYLB-JTQLQIEISA-N 0 3 245.282 1.012 20 30 BDEDHN C[C@H](O)CNN=C1CCCCc2ccc(N)cc21 ZINC000817330066 586795347 /nfs/dbraw/zinc/79/53/47/586795347.db2.gz SYSIMVXGOSJRHI-JTQLQIEISA-N 0 3 247.342 1.670 20 30 BDEDHN CCC(=NN[C@@H]1CCC[C@H]1O)c1cccc(N)c1 ZINC000817338102 586797378 /nfs/dbraw/zinc/79/73/78/586797378.db2.gz WTTAONDVFCURQY-ZIAGYGMSSA-N 0 3 247.342 1.886 20 30 BDEDHN C#CCCCC(=O)N(C)C[C@@H]1CCCN1C ZINC000817495847 586808339 /nfs/dbraw/zinc/80/83/39/586808339.db2.gz QLDKDPBAHKEFGQ-LBPRGKRZSA-N 0 3 222.332 1.343 20 30 BDEDHN CC#CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819212623 586939041 /nfs/dbraw/zinc/93/90/41/586939041.db2.gz DYCMHPDAAJIWIN-ZDUSSCGKSA-N 0 3 248.282 1.631 20 30 BDEDHN C#CCOCCNC[C@@H](O)c1ccccc1C ZINC000819227283 586940194 /nfs/dbraw/zinc/94/01/94/586940194.db2.gz BYKAVDAATAONQQ-CQSZACIVSA-N 0 3 233.311 1.268 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000819683009 586984771 /nfs/dbraw/zinc/98/47/71/586984771.db2.gz KAJMATMYLDSQNA-ZYHUDNBSSA-N 0 3 224.348 1.751 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCCC2(CC2)CC1 ZINC000860073372 589079230 /nfs/dbraw/zinc/07/92/30/589079230.db2.gz KTNRVHSEKKCMEH-LBPRGKRZSA-N 0 3 234.343 1.390 20 30 BDEDHN OCCN1CCC(=NOCC(F)(F)F)CC1 ZINC000819809029 586996501 /nfs/dbraw/zinc/99/65/01/586996501.db2.gz LZWPUXWWSWECFD-UHFFFAOYSA-N 0 3 240.225 1.009 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000820395078 587046050 /nfs/dbraw/zinc/04/60/50/587046050.db2.gz SUBFJONYMFXBGC-VXGBXAGGSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)C[C@H](C=C)CC ZINC000820688392 587066277 /nfs/dbraw/zinc/06/62/77/587066277.db2.gz QCCFRSBDUDBLEC-CYBMUJFWSA-N 0 3 236.359 1.660 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@H](C/C=C/C)C1 ZINC000860181788 589087577 /nfs/dbraw/zinc/08/75/77/589087577.db2.gz UUOIDTSGPLQWDQ-LQPUYASZSA-N 0 3 234.343 1.414 20 30 BDEDHN C#CCN1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000860187215 589088293 /nfs/dbraw/zinc/08/82/93/589088293.db2.gz XNAHEZJBWISQNS-JGPRNRPPSA-N 0 3 209.289 1.282 20 30 BDEDHN C#C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)C ZINC000822666170 587179956 /nfs/dbraw/zinc/17/99/56/587179956.db2.gz DQKGJKGTVCKWNY-LBPRGKRZSA-N 0 3 238.375 1.738 20 30 BDEDHN C=CCCCC[C@H](C)NCCS(C)(=O)=O ZINC000823716669 587237765 /nfs/dbraw/zinc/23/77/65/587237765.db2.gz NIGAJOIMRFDIOS-NSHDSACASA-N 0 3 233.377 1.756 20 30 BDEDHN CC(C)C#CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000823735586 587238792 /nfs/dbraw/zinc/23/87/92/587238792.db2.gz AZPSDDLWECDORA-ZDUSSCGKSA-N 0 3 238.375 1.738 20 30 BDEDHN C#C[C@H](N[C@@H]1CSC[C@H]1C)[C@H]1CCCO1 ZINC000824195503 587259733 /nfs/dbraw/zinc/25/97/33/587259733.db2.gz GUCPJHYLGNXSRI-WRWGMCAJSA-N 0 3 225.357 1.508 20 30 BDEDHN C#C[C@H](N[C@H](C)Cc1ccoc1)[C@@H]1CCCO1 ZINC000824196435 587260239 /nfs/dbraw/zinc/26/02/39/587260239.db2.gz RSBYYDQLKTVNJY-XBFCOCLRSA-N 0 3 233.311 1.981 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000824861596 587290619 /nfs/dbraw/zinc/29/06/19/587290619.db2.gz NQPGKDICKVLDTF-YPMHNXCESA-N 0 3 219.284 1.825 20 30 BDEDHN C#Cc1ccc(CN[C@H]2CC(=O)N(CC)C2)cc1 ZINC000824886674 587291493 /nfs/dbraw/zinc/29/14/93/587291493.db2.gz HZRFOWFSJRVGKK-AWEZNQCLSA-N 0 3 242.322 1.378 20 30 BDEDHN C=CCCNC(=O)[C@H]1CCCN1C(C)C ZINC000824910043 587293063 /nfs/dbraw/zinc/29/30/63/587293063.db2.gz MKHAPCWVXGBGJT-LLVKDONJSA-N 0 3 210.321 1.552 20 30 BDEDHN C#Cc1cccc(CN[C@H]2CCOC2)c1 ZINC000825226368 587310086 /nfs/dbraw/zinc/31/00/86/587310086.db2.gz GINNQQWBRODMJE-ZDUSSCGKSA-N 0 3 201.269 1.546 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000825257085 587311409 /nfs/dbraw/zinc/31/14/09/587311409.db2.gz ULQYKZPLHWQVHO-RTXFEEFZSA-N 0 3 246.310 1.590 20 30 BDEDHN C=CCONC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000827143554 587370925 /nfs/dbraw/zinc/37/09/25/587370925.db2.gz PIKCPSVOUZZVAT-NSHDSACASA-N 0 3 241.335 1.230 20 30 BDEDHN C#Cc1cnc(NC[C@@H]2CCCN2CC)nc1 ZINC000827286788 587375406 /nfs/dbraw/zinc/37/54/06/587375406.db2.gz AEZMBYYCJYGJDP-LBPRGKRZSA-N 0 3 230.315 1.354 20 30 BDEDHN C#CCN(CC[S@@](C)=O)C1CCCCC1 ZINC000827516545 587383849 /nfs/dbraw/zinc/38/38/49/587383849.db2.gz YDEPDBLPUNYAKH-OAHLLOKOSA-N 0 3 227.373 1.633 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000827559492 587387813 /nfs/dbraw/zinc/38/78/13/587387813.db2.gz GCEADLUENSLGED-YUTCNCBUSA-N 0 3 232.327 1.697 20 30 BDEDHN C#C[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000827559490 587388110 /nfs/dbraw/zinc/38/81/10/587388110.db2.gz GCEADLUENSLGED-UBHSHLNASA-N 0 3 232.327 1.697 20 30 BDEDHN C#C[C@@H](NCc1cccn1C)C1CCOCC1 ZINC000827569797 587388946 /nfs/dbraw/zinc/38/89/46/587388946.db2.gz GHFMOIOBLLZBIG-CQSZACIVSA-N 0 3 232.327 1.543 20 30 BDEDHN C#Cc1cnc(N2C[C@@H](C)N(CC)C[C@H]2C)nc1 ZINC000827840327 587405091 /nfs/dbraw/zinc/40/50/91/587405091.db2.gz PFFGQOPVWWVLRB-VXGBXAGGSA-N 0 3 244.342 1.377 20 30 BDEDHN C#CC[C@@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000829809779 587518677 /nfs/dbraw/zinc/51/86/77/587518677.db2.gz HRMHOQFRXXXICO-LLVKDONJSA-N 0 3 203.289 1.645 20 30 BDEDHN C#CC[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000829809779 587518678 /nfs/dbraw/zinc/51/86/78/587518678.db2.gz HRMHOQFRXXXICO-LLVKDONJSA-N 0 3 203.289 1.645 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NC[C@H](O)c1ccccc1 ZINC000831679415 587627544 /nfs/dbraw/zinc/62/75/44/587627544.db2.gz XHXBPANDKHNORO-RDBSUJKOSA-N 0 3 233.311 1.653 20 30 BDEDHN CC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831699361 587627941 /nfs/dbraw/zinc/62/79/41/587627941.db2.gz MEIIOOIUIGEKQP-JTQLQIEISA-N 0 3 224.304 1.564 20 30 BDEDHN CC(C)C#CC(=O)NCC1=CCN(C)CC1 ZINC000831720622 587628921 /nfs/dbraw/zinc/62/89/21/587628921.db2.gz CAEFKIAXQTUHJX-UHFFFAOYSA-N 0 3 220.316 1.024 20 30 BDEDHN C#CCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000832283647 587653352 /nfs/dbraw/zinc/65/33/52/587653352.db2.gz GCVOOZOUJDBLAJ-NSHDSACASA-N 0 3 248.292 1.826 20 30 BDEDHN CCCCCCCN1CCN(CCO)C[C@@H]1C ZINC000832783201 587689463 /nfs/dbraw/zinc/68/94/63/587689463.db2.gz OYAHUVMNGZYVAE-AWEZNQCLSA-N 0 3 242.407 1.955 20 30 BDEDHN C#CCCCCC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000834310262 587751188 /nfs/dbraw/zinc/75/11/88/587751188.db2.gz JOWPBQZQANFBKU-OLZOCXBDSA-N 0 3 234.343 1.343 20 30 BDEDHN COC[C@H](C)NN=C1CCCc2cc(N)ccc21 ZINC000834970450 587774240 /nfs/dbraw/zinc/77/42/40/587774240.db2.gz KVBPVDNYRHHUGN-JTQLQIEISA-N 0 3 247.342 1.934 20 30 BDEDHN C=CCON=C1CCN(CC(C)(C)O)CC1 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ZINC000840540822 587911204 /nfs/dbraw/zinc/91/12/04/587911204.db2.gz YFTIDIQTWZSQEY-UHFFFAOYSA-N 0 3 242.363 1.424 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000840574480 587912369 /nfs/dbraw/zinc/91/23/69/587912369.db2.gz VVJJMVLVOCNNGY-ZDUSSCGKSA-N 0 3 236.359 1.753 20 30 BDEDHN C=CCO[N-]C(=O)Nc1ccccc1C[NH2+]C ZINC000841307701 587951139 /nfs/dbraw/zinc/95/11/39/587951139.db2.gz KCRYEIFUCXTUCU-UHFFFAOYSA-N 0 3 235.287 1.645 20 30 BDEDHN C#CCNN=Cc1ccc(N(C)C)cc1C ZINC000841640214 587965191 /nfs/dbraw/zinc/96/51/91/587965191.db2.gz DIOLYYIOWDKFFZ-UHFFFAOYSA-N 0 3 215.300 1.618 20 30 BDEDHN CCCC(=NNC1=NCCN1)c1ccccn1 ZINC000841659396 587969709 /nfs/dbraw/zinc/96/97/09/587969709.db2.gz KCXZHPMUOHKFDB-UHFFFAOYSA-N 0 3 231.303 1.135 20 30 BDEDHN C=CCONC(=O)NC[C@@H](N)c1ccccc1 ZINC000841913799 587984881 /nfs/dbraw/zinc/98/48/81/587984881.db2.gz UIAOEHVGNWEOSY-LLVKDONJSA-N 0 3 235.287 1.103 20 30 BDEDHN C#C[C@H](NCCOCC1CCC1)[C@H]1CCCO1 ZINC000842155838 588003345 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C#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C)cc1 ZINC001144578820 972870561 /nfs/dbraw/zinc/87/05/61/972870561.db2.gz QSUWEBBMFACYRO-GJZGRUSLSA-N 0 3 226.323 1.556 20 30 BDEDHN C#Cc1ccc(CN2CC(N(C)C)C2)cc1 ZINC001144567814 972874388 /nfs/dbraw/zinc/87/43/88/972874388.db2.gz DANVSHDDACPMPH-UHFFFAOYSA-N 0 3 214.312 1.414 20 30 BDEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)CC1 ZINC001171202307 972898700 /nfs/dbraw/zinc/89/87/00/972898700.db2.gz BEQJSTDKLZJPPG-ZDUSSCGKSA-N 0 3 243.354 1.737 20 30 BDEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC(CO)C1 ZINC001171221250 972995225 /nfs/dbraw/zinc/99/52/25/972995225.db2.gz JNTOWINQXFVGPM-NSHDSACASA-N 0 3 230.311 1.413 20 30 BDEDHN CC#CCN1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C)C1 ZINC001091420466 973054795 /nfs/dbraw/zinc/05/47/95/973054795.db2.gz MGEAQUWIMPTAPW-HIFRSBDPSA-N 0 3 246.354 1.200 20 30 BDEDHN C#CCN1C[C@@H]2CN(C(=O)/C(C)=C/C)C[C@]2(C)C1 ZINC001091580988 973190287 /nfs/dbraw/zinc/19/02/87/973190287.db2.gz FLIVRFNEKAFPQR-OZOQIHSDSA-N 0 3 246.354 1.366 20 30 BDEDHN CC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001328966744 973407059 /nfs/dbraw/zinc/40/70/59/973407059.db2.gz AORNHPBKNLFOGB-OLZOCXBDSA-N 0 3 244.338 1.541 20 30 BDEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCCF ZINC001329026258 973439557 /nfs/dbraw/zinc/43/95/57/973439557.db2.gz GAEJHAWRROOYLQ-MNOVXSKESA-N 0 3 228.311 1.242 20 30 BDEDHN CN1C[C@@H]2COC[C@H](C1)N2c1cccc(C#N)c1 ZINC001276953234 973474292 /nfs/dbraw/zinc/47/42/92/973474292.db2.gz HOUJTJVYEXBUOY-OKILXGFUSA-N 0 3 243.310 1.077 20 30 BDEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC001329417649 973758743 /nfs/dbraw/zinc/75/87/43/973758743.db2.gz YRCVXEKVNZFLCK-NEPJUHHUSA-N 0 3 240.347 1.178 20 30 BDEDHN C=CC[C@@H](CCC)OCCN1CCN(C)CC1 ZINC001224552632 973765616 /nfs/dbraw/zinc/76/56/16/973765616.db2.gz QYNZMSJSFBEBBP-AWEZNQCLSA-N 0 3 240.391 1.995 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)/C=C/c1ccc[nH]1 ZINC001329429191 973772392 /nfs/dbraw/zinc/77/23/92/973772392.db2.gz SFPAKFIJSZRNNE-GUOLPTJISA-N 0 3 247.342 1.650 20 30 BDEDHN CC#CCNCCNC(=O)C[C@@H](C)c1ccco1 ZINC001148107385 973801895 /nfs/dbraw/zinc/80/18/95/973801895.db2.gz MVSHWDUKCWVOME-GFCCVEGCSA-N 0 3 248.326 1.502 20 30 BDEDHN CC#CCNCCNC(=O)C[C@H](C)c1ccco1 ZINC001148107386 973802806 /nfs/dbraw/zinc/80/28/06/973802806.db2.gz MVSHWDUKCWVOME-LBPRGKRZSA-N 0 3 248.326 1.502 20 30 BDEDHN C#CCNCCNC(=O)C[C@@H](CC)C(C)C ZINC001148315775 973830651 /nfs/dbraw/zinc/83/06/51/973830651.db2.gz CLVFSWHBXSQRDE-GFCCVEGCSA-N 0 3 224.348 1.398 20 30 BDEDHN C#CCNC1(CNC(=O)C2CCCC2)CC1 ZINC001276991317 973878887 /nfs/dbraw/zinc/87/88/87/973878887.db2.gz BMKFWHIMSDANTL-UHFFFAOYSA-N 0 3 220.316 1.048 20 30 BDEDHN C#CCNC1(CNC(=O)CC2=CCCCC2)CC1 ZINC001277020009 974188944 /nfs/dbraw/zinc/18/89/44/974188944.db2.gz KCSOHUVZNJSFCD-UHFFFAOYSA-N 0 3 246.354 1.749 20 30 BDEDHN C#CCN(C)[C@H]1Cc2cccc(F)c2C1 ZINC001171805231 974193785 /nfs/dbraw/zinc/19/37/85/974193785.db2.gz LYVFSSFJKWJLQI-NSHDSACASA-N 0 3 203.260 1.858 20 30 BDEDHN C#CCN[C@H]1CSc2ccccc2C1 ZINC001172191219 974399360 /nfs/dbraw/zinc/39/93/60/974399360.db2.gz PUUYJRYZOCTKIP-LLVKDONJSA-N 0 3 203.310 1.926 20 30 BDEDHN C=C[C@H](COC)NCc1ccc2nccnc2c1 ZINC001330795779 974477968 /nfs/dbraw/zinc/47/79/68/974477968.db2.gz VSKLCNGXZNCUKH-GFCCVEGCSA-N 0 3 243.310 1.920 20 30 BDEDHN C[C@]1(C#N)CCN(C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172242707 974509594 /nfs/dbraw/zinc/50/95/94/974509594.db2.gz COIUZVSEOGQFCK-PSEXLTFBSA-N 0 3 218.300 1.708 20 30 BDEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H]1COC[C@@H]1F ZINC001172304332 974518029 /nfs/dbraw/zinc/51/80/29/974518029.db2.gz JNWACTSMOCMRAP-SWHYSGLUSA-N 0 3 248.301 1.816 20 30 BDEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001331407903 974708751 /nfs/dbraw/zinc/70/87/51/974708751.db2.gz AQGLFDSZNLCIHZ-IGQOVBAYSA-N 0 3 248.370 1.492 20 30 BDEDHN C=CCCCC(=O)N(C)C[C@H](C)NCC#CC ZINC001331543626 974755636 /nfs/dbraw/zinc/75/56/36/974755636.db2.gz MOKBLLSBISTBDI-ZDUSSCGKSA-N 0 3 236.359 1.803 20 30 BDEDHN C[C@@H](CCCC#N)NCc1cn(C)cn1 ZINC001172475881 974772267 /nfs/dbraw/zinc/77/22/67/974772267.db2.gz DLKNLNJDEGTISW-JTQLQIEISA-N 0 3 206.293 1.592 20 30 BDEDHN Cc1cc(CN)nn1[C@H](C)CCCC#N ZINC001172481893 974781783 /nfs/dbraw/zinc/78/17/83/974781783.db2.gz ZDCWLVMIRQTPHE-SECBINFHSA-N 0 3 206.293 1.905 20 30 BDEDHN C[C@H](CCCC#N)N[C@H]1COC[C@@H]1F ZINC001172490422 974837406 /nfs/dbraw/zinc/83/74/06/974837406.db2.gz GROFHOBATSQDOW-UTLUCORTSA-N 0 3 200.257 1.395 20 30 BDEDHN C[C@@H](CCCC#N)N[C@@H]1COC[C@@H]1F ZINC001172490421 974838048 /nfs/dbraw/zinc/83/80/48/974838048.db2.gz GROFHOBATSQDOW-LPEHRKFASA-N 0 3 200.257 1.395 20 30 BDEDHN C[C@H](CCCC#N)N1CCN(CCC#N)CC1 ZINC001172506766 974860034 /nfs/dbraw/zinc/86/00/34/974860034.db2.gz IVSULBBSYJUGOO-CYBMUJFWSA-N 0 3 234.347 1.600 20 30 BDEDHN COC(=O)CC1CN([C@@H](C)CCCC#N)C1 ZINC001172507506 974863341 /nfs/dbraw/zinc/86/33/41/974863341.db2.gz VJSSDINMDGDAAB-JTQLQIEISA-N 0 3 224.304 1.564 20 30 BDEDHN N#C[C@@H]1CC[C@@H](n2cc(CNCC3CC3)nn2)C1 ZINC001331915671 974865587 /nfs/dbraw/zinc/86/55/87/974865587.db2.gz CKVBGWQNQHFHAG-DGCLKSJQSA-N 0 3 245.330 1.642 20 30 BDEDHN CSc1ccc(CNC(=O)[C@H](C)N)cc1C#N ZINC001332106925 974956359 /nfs/dbraw/zinc/95/63/59/974956359.db2.gz VBYGJXDOXFPSGX-QMMMGPOBSA-N 0 3 249.339 1.244 20 30 BDEDHN C#CCN(CC#C)[C@H]1CCC[C@@H](OC)C1 ZINC001172947596 975002181 /nfs/dbraw/zinc/00/21/81/975002181.db2.gz DNJYHJXHQMLYBG-QWHCGFSZSA-N 0 3 205.301 1.512 20 30 BDEDHN CN1CCC[C@@H](Oc2cncc(C#N)c2)C1 ZINC001226684677 975021687 /nfs/dbraw/zinc/02/16/87/975021687.db2.gz OIZDMZSKIXPOGL-LLVKDONJSA-N 0 3 217.272 1.426 20 30 BDEDHN CC#CCNC1(CNC(=O)C(C)(C)C2CC2)CC1 ZINC001277152135 975054847 /nfs/dbraw/zinc/05/48/47/975054847.db2.gz YUWDQJMURWPGJG-UHFFFAOYSA-N 0 3 248.370 1.684 20 30 BDEDHN CCSC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001173302631 975205239 /nfs/dbraw/zinc/20/52/39/975205239.db2.gz TUZOAOATLLOMLT-UWVGGRQHSA-N 0 3 248.392 1.638 20 30 BDEDHN CCSC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001173302711 975207695 /nfs/dbraw/zinc/20/76/95/975207695.db2.gz TUZOAOATLLOMLT-ZJUUUORDSA-N 0 3 248.392 1.638 20 30 BDEDHN N#CCC1CCC(N2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001173330830 975281158 /nfs/dbraw/zinc/28/11/58/975281158.db2.gz FYHKGYBZYZSWLD-FIYWTHMPSA-N 0 3 240.322 1.864 20 30 BDEDHN Cc1nnc(CNC[C@@H](C)CCC#N)n1C ZINC001332975475 975351303 /nfs/dbraw/zinc/35/13/03/975351303.db2.gz INCQTJCYCWDKGS-VIFPVBQESA-N 0 3 221.308 1.153 20 30 BDEDHN CC(=NNCCO)c1c(C)cc(N)cc1C ZINC001333184156 975540866 /nfs/dbraw/zinc/54/08/66/975540866.db2.gz SBSDKHQKPLNKPU-UHFFFAOYSA-N 0 3 221.304 1.192 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CC12CCC2 ZINC000721303128 975868178 /nfs/dbraw/zinc/86/81/78/975868178.db2.gz YIDSGKCHCPYVPW-UWVGGRQHSA-N 0 3 221.304 1.066 20 30 BDEDHN Cc1cnccc1Nc1cn(C)nc1C#N ZINC001174536619 976815504 /nfs/dbraw/zinc/81/55/04/976815504.db2.gz QJCBCTYFEPYBRC-UHFFFAOYSA-N 0 3 213.244 1.161 20 30 BDEDHN Cc1cc(Nc2c(C#N)ncn2C)ccn1 ZINC001174653193 976938298 /nfs/dbraw/zinc/93/82/98/976938298.db2.gz NIMSJSSDAYFEPH-UHFFFAOYSA-N 0 3 213.244 1.161 20 30 BDEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccns1 ZINC001335317492 976954592 /nfs/dbraw/zinc/95/45/92/976954592.db2.gz MRXAUJDSGYSAQK-SECBINFHSA-N 0 3 239.344 1.533 20 30 BDEDHN C#CCN(C(=O)CC1CCC1)C1CCN(C)CC1 ZINC001335323188 976957267 /nfs/dbraw/zinc/95/72/67/976957267.db2.gz FGIBEXNPFUXNQP-UHFFFAOYSA-N 0 3 248.370 1.733 20 30 BDEDHN CN(Cc1cncc(C#N)c1)C1CCOCC1 ZINC000721499577 976961890 /nfs/dbraw/zinc/96/18/90/976961890.db2.gz IBAUQZOVLJCZNP-UHFFFAOYSA-N 0 3 231.299 1.564 20 30 BDEDHN CC#CCNC[C@H](O)c1cccc(Cl)c1 ZINC001335425713 977045749 /nfs/dbraw/zinc/04/57/49/977045749.db2.gz JHKNVLFUVGYYFI-LBPRGKRZSA-N 0 3 223.703 1.986 20 30 BDEDHN N#C[C@H]1CC[C@@H](Oc2nncc3n[nH]cc32)C1 ZINC001230895865 977362877 /nfs/dbraw/zinc/36/28/77/977362877.db2.gz LAPAJPRCLKRLCA-JGVFFNPUSA-N 0 3 229.243 1.424 20 30 BDEDHN C#C[C@H](CC)NC[C@@](O)(CC)C(F)(F)F ZINC001336021518 977432217 /nfs/dbraw/zinc/43/22/17/977432217.db2.gz RBFALEXEGPNXQX-BDAKNGLRSA-N 0 3 223.238 1.691 20 30 BDEDHN C#Cc1cccc(CN2CCOC[C@](C)(O)C2)c1 ZINC001231656037 977668686 /nfs/dbraw/zinc/66/86/86/977668686.db2.gz DQOVLIDLPKLGHX-OAHLLOKOSA-N 0 3 245.322 1.251 20 30 BDEDHN C#Cc1ccc(N(C)CC2CN(C)C2)nc1 ZINC001336690861 977855642 /nfs/dbraw/zinc/85/56/42/977855642.db2.gz CULCWOKRPCSEKZ-UHFFFAOYSA-N 0 3 215.300 1.061 20 30 BDEDHN COC(=O)c1cc(C#N)cc(Nc2ncc[nH]2)c1 ZINC001176085442 977888160 /nfs/dbraw/zinc/88/81/60/977888160.db2.gz IGCLVZJXBUQMEO-UHFFFAOYSA-N 0 3 242.238 1.812 20 30 BDEDHN C[C@H](CCC#N)CNCc1nnc2n1CCC2 ZINC001336731008 977888470 /nfs/dbraw/zinc/88/84/70/977888470.db2.gz ADVGHHMTGAHITE-SNVBAGLBSA-N 0 3 233.319 1.254 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@@H]1CCn2cncc2C1 ZINC001336821040 977984336 /nfs/dbraw/zinc/98/43/36/977984336.db2.gz YCESLXBIIAWBES-VXGBXAGGSA-N 0 3 243.314 1.231 20 30 BDEDHN CN(Cc1cc(C#N)ccn1)[C@H]1CC[C@H](O)CC1 ZINC001232477687 978129193 /nfs/dbraw/zinc/12/91/93/978129193.db2.gz OPFUMGIMMWETJP-HDJSIYSDSA-N 0 3 245.326 1.689 20 30 BDEDHN C=CCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277758427 978462846 /nfs/dbraw/zinc/46/28/46/978462846.db2.gz LMRYJQREYIIVJG-UHFFFAOYSA-N 0 3 245.326 1.505 20 30 BDEDHN Cc1cc(C#N)ccc1CN1CC(C2COC2)C1 ZINC001233080067 978464391 /nfs/dbraw/zinc/46/43/91/978464391.db2.gz CMKICNPCOMYFRL-UHFFFAOYSA-N 0 3 242.322 1.945 20 30 BDEDHN CCN(C(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000691600088 978644288 /nfs/dbraw/zinc/64/42/88/978644288.db2.gz PYQUUIJKTDAQCQ-NSHDSACASA-N 0 3 225.336 1.655 20 30 BDEDHN CCCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234194699 978792375 /nfs/dbraw/zinc/79/23/75/978792375.db2.gz GBPOSTFDZXVOTE-CYBMUJFWSA-N 0 3 234.343 1.343 20 30 BDEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)SC ZINC001234290322 978815592 /nfs/dbraw/zinc/81/55/92/978815592.db2.gz IQLXJUSBERJGOH-LLVKDONJSA-N 0 3 242.388 1.199 20 30 BDEDHN C#CCCCNC(=O)[C@@H](C)N1CCCC1 ZINC001180585616 978918595 /nfs/dbraw/zinc/91/85/95/978918595.db2.gz QKDDGUXURPYBME-LLVKDONJSA-N 0 3 208.305 1.000 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](COC)C(C)C 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ZINC000661242138 411735333 /nfs/dbraw/zinc/73/53/33/411735333.db2.gz HIHKBHFLEHYGLF-OLZOCXBDSA-N 0 3 245.363 1.295 20 30 BDEDHN C=CCN(C[C@@H](COC)OC)[C@@H](C)COC ZINC000661238799 411739504 /nfs/dbraw/zinc/73/95/04/411739504.db2.gz FRHFSQIEWJBPOX-RYUDHWBXSA-N 0 3 231.336 1.171 20 30 BDEDHN C=CCN(C[C@H](O)C(C)C)[C@@H](C)COC ZINC000661238870 411739840 /nfs/dbraw/zinc/73/98/40/411739840.db2.gz GSNBGGNMQZURKB-RYUDHWBXSA-N 0 3 215.337 1.526 20 30 BDEDHN C=CCN(CCc1cncc(C)n1)[C@@H](C)COC ZINC000661240191 411741708 /nfs/dbraw/zinc/74/17/08/411741708.db2.gz QMLKCIDDPLRRGJ-ZDUSSCGKSA-N 0 3 249.358 1.850 20 30 BDEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000661378398 411759962 /nfs/dbraw/zinc/75/99/62/411759962.db2.gz FKKQUAAEEKENCR-LBPRGKRZSA-N 0 3 222.332 1.507 20 30 BDEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000661378657 411761109 /nfs/dbraw/zinc/76/11/09/411761109.db2.gz JYDSXELKMJFWBK-NWDGAFQWSA-N 0 3 236.359 1.942 20 30 BDEDHN C=CCC[C@@H](O)CN1CC2(CCC2)OC[C@@H]1C ZINC000661467220 411783741 /nfs/dbraw/zinc/78/37/41/411783741.db2.gz UQILQPDFWRJVQD-QWHCGFSZSA-N 0 3 239.359 1.957 20 30 BDEDHN C=CCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000665946324 487620628 /nfs/dbraw/zinc/62/06/28/487620628.db2.gz VUTOETWAZAPGRD-RYUDHWBXSA-N 0 3 239.363 1.687 20 30 BDEDHN CCC#C[C@@H](C)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661624545 411821632 /nfs/dbraw/zinc/82/16/32/411821632.db2.gz KDBYVVGIZHUQLR-XQHKEYJVSA-N 0 3 209.333 1.737 20 30 BDEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H](C)[C@H]1O ZINC000661626644 411821639 /nfs/dbraw/zinc/82/16/39/411821639.db2.gz OFMQLOIKZYKCKS-FOLVSLTJSA-N 0 3 243.350 1.987 20 30 BDEDHN COCC#CCN1CCC[C@@H](CCF)C1 ZINC000661688616 411838966 /nfs/dbraw/zinc/83/89/66/411838966.db2.gz FCHWHRUKOHFRRF-LBPRGKRZSA-N 0 3 213.296 1.708 20 30 BDEDHN C=CCN(CC(=O)N1CCC1)C(C)(C)C ZINC000661754918 411867383 /nfs/dbraw/zinc/86/73/83/411867383.db2.gz HCOFONQZJDOJTN-UHFFFAOYSA-N 0 3 210.321 1.505 20 30 BDEDHN C=CCN(CC(=O)NCCCOC)C(C)(C)C ZINC000661755081 411867432 /nfs/dbraw/zinc/86/74/32/411867432.db2.gz JADMRJBYMYEMMH-UHFFFAOYSA-N 0 3 242.363 1.426 20 30 BDEDHN CC#CCN(CCN1CCOCC1)CC1CC1 ZINC000661968951 411925296 /nfs/dbraw/zinc/92/52/96/411925296.db2.gz BIRMQFVPBCPIMS-UHFFFAOYSA-N 0 3 236.359 1.054 20 30 BDEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)CC ZINC000662079712 411978461 /nfs/dbraw/zinc/97/84/61/411978461.db2.gz LRAWUHVEBLIHEH-TXEJJXNPSA-N 0 3 222.332 1.648 20 30 BDEDHN C=C[C@H](CO)NCCOc1cc(C)ccc1C ZINC000662165318 412015157 /nfs/dbraw/zinc/01/51/57/412015157.db2.gz DSCHRQLCLIATKH-CYBMUJFWSA-N 0 3 235.327 1.819 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC000611241995 412266394 /nfs/dbraw/zinc/26/63/94/412266394.db2.gz XZKVJCMPZXMNLU-CABZTGNLSA-N 0 3 243.314 1.243 20 30 BDEDHN C=CCNC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000665284310 412228691 /nfs/dbraw/zinc/22/86/91/412228691.db2.gz HXEIAIGCFXLNMT-LBPRGKRZSA-N 0 3 222.332 1.411 20 30 BDEDHN C=CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662628828 412248362 /nfs/dbraw/zinc/24/83/62/412248362.db2.gz WGVXBBKZDBHLBL-UHFFFAOYSA-N 0 3 236.340 1.700 20 30 BDEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000662630069 412248419 /nfs/dbraw/zinc/24/84/19/412248419.db2.gz IATGOKKHJAAPEL-WDEREUQCSA-N 0 3 210.321 1.409 20 30 BDEDHN C=CC[C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000662630774 412249838 /nfs/dbraw/zinc/24/98/38/412249838.db2.gz MPYCTRXJCPPZPP-LBPRGKRZSA-N 0 3 240.347 1.037 20 30 BDEDHN C=CCCC(C)(C)NC(=O)CNC1CC1 ZINC000662954497 412353272 /nfs/dbraw/zinc/35/32/72/412353272.db2.gz VOXOVSLWKSMFDU-UHFFFAOYSA-N 0 3 210.321 1.599 20 30 BDEDHN C=CCCC(C)(C)NC(=O)[C@@H]1NCC1(C)C ZINC000662953318 412353538 /nfs/dbraw/zinc/35/35/38/412353538.db2.gz MBZPKMZGFKEUOO-JTQLQIEISA-N 0 3 224.348 1.845 20 30 BDEDHN C=CCCC(C)(C)NC(=O)[C@H]1NCC1(C)C ZINC000662953319 412353992 /nfs/dbraw/zinc/35/39/92/412353992.db2.gz MBZPKMZGFKEUOO-SNVBAGLBSA-N 0 3 224.348 1.845 20 30 BDEDHN CN(C)C(C)(C)CNCc1nc(C#N)cs1 ZINC000336783044 172395800 /nfs/dbraw/zinc/39/58/00/172395800.db2.gz ZHXFFNAOXLHFKD-UHFFFAOYSA-N 0 3 238.360 1.445 20 30 BDEDHN CN1CCC[C@H]1CNc1ncccc1C#N ZINC000221256025 173055250 /nfs/dbraw/zinc/05/52/50/173055250.db2.gz ACGVUNDPALSUCI-NSHDSACASA-N 0 3 216.288 1.459 20 30 BDEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)cn3)[C@H]2C1 ZINC000272145731 173133377 /nfs/dbraw/zinc/13/33/77/173133377.db2.gz CIFLZVIXKOYLLE-OLZOCXBDSA-N 0 3 242.326 1.484 20 30 BDEDHN CNC(=O)C(C)(C)CNCc1cccc(C#N)c1 ZINC000120132693 173220095 /nfs/dbraw/zinc/22/00/95/173220095.db2.gz RGWXAVCBQAVTEP-UHFFFAOYSA-N 0 3 245.326 1.420 20 30 BDEDHN CNC(=O)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000323015425 173281205 /nfs/dbraw/zinc/28/12/05/173281205.db2.gz ILNBGEZNJTWPEE-GHMZBOCLSA-N 0 3 245.326 1.733 20 30 BDEDHN COCCCN1CCC(C#N)(COC)CC1 ZINC000341986698 174226555 /nfs/dbraw/zinc/22/65/55/174226555.db2.gz GGGYKOHWQPAGJK-UHFFFAOYSA-N 0 3 226.320 1.275 20 30 BDEDHN COc1ccc(CNC(C)(C)CO)cc1C#N ZINC000087822720 175105560 /nfs/dbraw/zinc/10/55/60/175105560.db2.gz JDEVVGYDHKFYFM-UHFFFAOYSA-N 0 3 234.299 1.427 20 30 BDEDHN COc1ccc(CN[C@@H](C)CO)cc1C#N ZINC000083729973 175109522 /nfs/dbraw/zinc/10/95/22/175109522.db2.gz UFNZQIHBORAQKA-VIFPVBQESA-N 0 3 220.272 1.037 20 30 BDEDHN C[C@@H]1COCC[C@@H]1NCc1nc(C#N)cs1 ZINC000309819545 176341368 /nfs/dbraw/zinc/34/13/68/176341368.db2.gz VZUGMZOCRBOONF-SCZZXKLOSA-N 0 3 237.328 1.529 20 30 BDEDHN C[C@@H]1C[C@@H](Nc2ccnc(C#N)c2)CN1C1CC1 ZINC000290807446 176380345 /nfs/dbraw/zinc/38/03/45/176380345.db2.gz QPWLZNWCOXFCCK-ZWNOBZJWSA-N 0 3 242.326 1.990 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOCCO ZINC000265824250 177031654 /nfs/dbraw/zinc/03/16/54/177031654.db2.gz SPNQEMVAZDENRI-GFCCVEGCSA-N 0 3 248.326 1.560 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC000274651392 177242065 /nfs/dbraw/zinc/24/20/65/177242065.db2.gz GMMPUPSLDZKTQL-CABZTGNLSA-N 0 3 243.314 1.243 20 30 BDEDHN C[C@H]1C[C@@H](N(C)c2ccc(C#N)cn2)CCN1C ZINC000266199225 177327619 /nfs/dbraw/zinc/32/76/19/177327619.db2.gz DEEIBAQDNQCQKR-AAEUAGOBSA-N 0 3 244.342 1.872 20 30 BDEDHN C[C@H]1C[C@@H](Nc2cccnc2C#N)CN1C1CC1 ZINC000329726117 177334795 /nfs/dbraw/zinc/33/47/95/177334795.db2.gz OKUAQBHHXURMMV-WDEREUQCSA-N 0 3 242.326 1.990 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000471938313 225090228 /nfs/dbraw/zinc/09/02/28/225090228.db2.gz AMLVFOXMKACAKX-IJLUTSLNSA-N 0 3 248.326 1.896 20 30 BDEDHN Cc1nc(N[C@@H]2CCCN(C)[C@H]2C)ccc1C#N ZINC000488129961 225349556 /nfs/dbraw/zinc/34/95/56/225349556.db2.gz ROHCOUYQZCOFAI-WCQYABFASA-N 0 3 244.342 1.578 20 30 BDEDHN Cc1cc(C#N)cc(NC(=O)/C=C/CN(C)C)c1 ZINC000493032936 226109220 /nfs/dbraw/zinc/10/92/20/226109220.db2.gz ZVDUXCNQANRSHW-SNAWJCMRSA-N 0 3 243.310 1.923 20 30 BDEDHN CN(C)C/C=C\C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000493772019 226253240 /nfs/dbraw/zinc/25/32/40/226253240.db2.gz PFHDYMHMYUBYMU-HWPRWLFBSA-N 0 3 249.358 1.645 20 30 BDEDHN C=C[C@@H](C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674934116 487658394 /nfs/dbraw/zinc/65/83/94/487658394.db2.gz SQGOAMIYTNSZMO-ZYHUDNBSSA-N 0 3 237.347 1.344 20 30 BDEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C ZINC000403982307 229356691 /nfs/dbraw/zinc/35/66/91/229356691.db2.gz BCEMDECFJDAVAT-JTQLQIEISA-N 0 3 235.306 1.737 20 30 BDEDHN Cc1cc(CNC(C)(C)CC(N)=O)ccc1C#N ZINC000488317379 533684321 /nfs/dbraw/zinc/68/43/21/533684321.db2.gz VFKPINVXBQPKGX-UHFFFAOYSA-N 0 3 245.326 1.610 20 30 BDEDHN C#CC(C)(C)N(C)Cc1ccnc(N)c1 ZINC000298675311 487681401 /nfs/dbraw/zinc/68/14/01/487681401.db2.gz YRRKOPJDVYODGA-UHFFFAOYSA-N 0 3 203.289 1.507 20 30 BDEDHN CCC#C[C@@H](C)N(CC)CCOCCO ZINC000669695664 487687252 /nfs/dbraw/zinc/68/72/52/487687252.db2.gz OMQDMLZFPHBOAF-GFCCVEGCSA-N 0 3 213.321 1.119 20 30 BDEDHN C[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424121549 262849195 /nfs/dbraw/zinc/84/91/95/262849195.db2.gz GDSWJIQWBLNLDV-OUAUKWLOSA-N 0 3 223.320 1.312 20 30 BDEDHN CCOC(=O)N1CCC(NC[C@@H](C)C#N)CC1 ZINC000036667631 262852419 /nfs/dbraw/zinc/85/24/19/262852419.db2.gz KNIYUQSXWSRGIS-JTQLQIEISA-N 0 3 239.319 1.357 20 30 BDEDHN C=C[C@@](C)(O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000666282691 487778140 /nfs/dbraw/zinc/77/81/40/487778140.db2.gz LAZBYVLNMWJOEV-CQSZACIVSA-N 0 3 248.326 1.624 20 30 BDEDHN C[C@@H]1[C@H](C)N(Cc2cccc(C#N)n2)CCN1C ZINC000602617687 487785776 /nfs/dbraw/zinc/78/57/76/487785776.db2.gz WAHAUPKVLOGDJH-NEPJUHHUSA-N 0 3 244.342 1.478 20 30 BDEDHN C=C(C)CCN1CCN([C@@H]2CCOC2)CC1 ZINC000681407634 487795322 /nfs/dbraw/zinc/79/53/22/487795322.db2.gz HMBYQMJMZJWCBS-CYBMUJFWSA-N 0 3 224.348 1.359 20 30 BDEDHN CC(C)OC1CC(N2CC[C@](O)(CC#N)C2)C1 ZINC000592153218 487807661 /nfs/dbraw/zinc/80/76/61/487807661.db2.gz KTSQALJPTFXEMT-WXRRBKDZSA-N 0 3 238.331 1.293 20 30 BDEDHN COCCN(C)N=C1CCN(C)[C@@H](C)C1 ZINC000794962909 586057986 /nfs/dbraw/zinc/05/79/86/586057986.db2.gz AZSSXGGTUYWUQP-JTQLQIEISA-N 0 3 213.325 1.035 20 30 BDEDHN CC#CCN(C)CCC(C)(C)C(=O)OC ZINC000815283977 586677508 /nfs/dbraw/zinc/67/75/08/586677508.db2.gz VPZSJOOYRMZQPZ-UHFFFAOYSA-N 0 3 211.305 1.531 20 30 BDEDHN C=C(C)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000681660456 487834198 /nfs/dbraw/zinc/83/41/98/487834198.db2.gz GBNFRAOZBCRNQD-LBPRGKRZSA-N 0 3 237.347 1.346 20 30 BDEDHN C=CC[C@@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000878125811 590501030 /nfs/dbraw/zinc/50/10/30/590501030.db2.gz RKRWJZIKCDDAFG-MNOVXSKESA-N 0 3 231.361 1.318 20 30 BDEDHN C#C[C@@H](C)N(C)CCCOC(F)(F)F ZINC000878516585 590584372 /nfs/dbraw/zinc/58/43/72/590584372.db2.gz HPYZEULJTKTXPE-MRVPVSSYSA-N 0 3 209.211 1.866 20 30 BDEDHN CN(CC#Cc1ccc(F)cc1)C(C)(C)CO ZINC000676609895 487876373 /nfs/dbraw/zinc/87/63/73/487876373.db2.gz PXOLRAVSTMJUPG-UHFFFAOYSA-N 0 3 235.302 1.880 20 30 BDEDHN CC[C@H](O)[C@@H]1CCCCN1CC#CCOC ZINC000677133262 487892721 /nfs/dbraw/zinc/89/27/21/487892721.db2.gz PERAPJVCCFVNJQ-STQMWFEESA-N 0 3 225.332 1.262 20 30 BDEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#CCOC ZINC000677133261 487892504 /nfs/dbraw/zinc/89/25/04/487892504.db2.gz PERAPJVCCFVNJQ-QWHCGFSZSA-N 0 3 225.332 1.262 20 30 BDEDHN COCC#CCN(C[C@H]1CCOC1)C1CC1 ZINC000677133403 487894822 /nfs/dbraw/zinc/89/48/22/487894822.db2.gz 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30 BDEDHN C#CC[C@@H](COC)NCc1cn(CC)nc1C ZINC000895671215 583706348 /nfs/dbraw/zinc/70/63/48/583706348.db2.gz FYWQNVBLPLGABT-ZDUSSCGKSA-N 0 3 235.331 1.339 20 30 BDEDHN C#CC[C@@H](COC)NCc1cnc(F)c(C)c1 ZINC000895672205 583706713 /nfs/dbraw/zinc/70/67/13/583706713.db2.gz OSZGKWBBUCQHFI-LBPRGKRZSA-N 0 3 236.290 1.657 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(OCC)cc1C ZINC000883125354 583711984 /nfs/dbraw/zinc/71/19/84/583711984.db2.gz GLELRHMPESLHJM-AWEZNQCLSA-N 0 3 247.338 1.868 20 30 BDEDHN C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C ZINC000895735698 583718616 /nfs/dbraw/zinc/71/86/16/583718616.db2.gz DZMAKDFDASSAKX-KWQFWETISA-N 0 3 234.278 1.597 20 30 BDEDHN N#Cc1csc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000895785636 583726988 /nfs/dbraw/zinc/72/69/88/583726988.db2.gz YRZHCGWVZLGEAX-KGYLQXTDSA-N 0 3 248.351 1.822 20 30 BDEDHN C=C1CCC(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000895883101 583738542 /nfs/dbraw/zinc/73/85/42/583738542.db2.gz BFWSIEVCGYZHRB-CYBMUJFWSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1cnc(F)cc1C ZINC000896034674 583764291 /nfs/dbraw/zinc/76/42/91/583764291.db2.gz DPIDKOYZCJJCQI-LBPRGKRZSA-N 0 3 238.306 1.946 20 30 BDEDHN CCO[C@H](CNc1ccc(C#N)nc1)CN(C)C ZINC000896118374 583772415 /nfs/dbraw/zinc/77/24/15/583772415.db2.gz SSJBHGZDCQQRBW-CYBMUJFWSA-N 0 3 248.330 1.332 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1ccc(F)nc1 ZINC000883400577 583795987 /nfs/dbraw/zinc/79/59/87/583795987.db2.gz QFUVBWZJNKEBKF-LLVKDONJSA-N 0 3 224.279 1.637 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1ccc(C(N)=O)cc1 ZINC000883401598 583796648 /nfs/dbraw/zinc/79/66/48/583796648.db2.gz RMYYTPLYJSGUTR-CYBMUJFWSA-N 0 3 248.326 1.202 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000896617829 583818111 /nfs/dbraw/zinc/81/81/11/583818111.db2.gz KMEIICNWKDADPG-YNEHKIRRSA-N 0 3 249.358 1.276 20 30 BDEDHN C=CCNC(=S)N(C)CC1CCN(C)CC1 ZINC000728795112 583912903 /nfs/dbraw/zinc/91/29/03/583912903.db2.gz CZMUMJSLIYPHSI-UHFFFAOYSA-N 0 3 241.404 1.321 20 30 BDEDHN C=C[C@H]1CCCCN1CCC(=O)N(C)OC ZINC000799167777 583958398 /nfs/dbraw/zinc/95/83/98/583958398.db2.gz FKGLBYAPKROXJH-NSHDSACASA-N 0 3 226.320 1.437 20 30 BDEDHN C#CCCCC(C)=NNC1=N[C@@H](C)CN1 ZINC000863104644 583976016 /nfs/dbraw/zinc/97/60/16/583976016.db2.gz BXZALPHIQCGULG-JTQLQIEISA-N 0 3 206.293 1.103 20 30 BDEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000858368426 588949307 /nfs/dbraw/zinc/94/93/07/588949307.db2.gz KINDLLDUOBSSSY-YPMHNXCESA-N 0 3 249.358 1.324 20 30 BDEDHN CCCn1cc(CN[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000865586855 584024382 /nfs/dbraw/zinc/02/43/82/584024382.db2.gz KGDKDTIGWZPVFW-RYUDHWBXSA-N 0 3 247.346 1.860 20 30 BDEDHN C=C(C)CN1CCC(NC(=S)NCC)CC1 ZINC000729942801 584031111 /nfs/dbraw/zinc/03/11/11/584031111.db2.gz SGUXLWSQEQAJIA-UHFFFAOYSA-N 0 3 241.404 1.511 20 30 BDEDHN C=C1CCC(C(=O)NCC2(N(C)C)CC2)CC1 ZINC000897990057 584072184 /nfs/dbraw/zinc/07/21/84/584072184.db2.gz WSJYKRDEXSQPFP-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN N#Cc1csc(CNCC[C@@H](O)C2CC2)c1 ZINC000898202143 584089566 /nfs/dbraw/zinc/08/95/66/584089566.db2.gz DPJGPSIQNKZJHO-GFCCVEGCSA-N 0 3 236.340 1.870 20 30 BDEDHN N#Cc1csc(CNCC[C@H](O)C2CC2)c1 ZINC000898202144 584089727 /nfs/dbraw/zinc/08/97/27/584089727.db2.gz DPJGPSIQNKZJHO-LBPRGKRZSA-N 0 3 236.340 1.870 20 30 BDEDHN C=CCN1CCC(Nc2cc(C)nc(N)n2)CC1 ZINC000730076869 584123527 /nfs/dbraw/zinc/12/35/27/584123527.db2.gz BNBNMUFMWRSWGX-UHFFFAOYSA-N 0 3 247.346 1.430 20 30 BDEDHN CCn1cc(/C=C2/C(=O)c3nccn3C2C)nn1 ZINC000899393253 584211539 /nfs/dbraw/zinc/21/15/39/584211539.db2.gz YQODDPIULYXONH-VSBFRKNKSA-N 0 3 243.270 1.335 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000899527495 584219226 /nfs/dbraw/zinc/21/92/26/584219226.db2.gz JZLKRFGNKBJOTC-QWRGUYRKSA-N 0 3 244.298 1.342 20 30 BDEDHN C=C(C)Cn1cc(CNC2CCN(C)CC2)nn1 ZINC000900502553 584319517 /nfs/dbraw/zinc/31/95/17/584319517.db2.gz NRTJGZUQZRDTFO-UHFFFAOYSA-N 0 3 249.362 1.038 20 30 BDEDHN C[C@H]1CC2(CC(=Nn3cnnc3)C2)CO1 ZINC000901120148 584386738 /nfs/dbraw/zinc/38/67/38/584386738.db2.gz UOEBRSDQZMDZEV-PEHGTWAWSA-N 0 3 206.249 1.071 20 30 BDEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccnn1C ZINC000901219821 584402925 /nfs/dbraw/zinc/40/29/25/584402925.db2.gz HCLLUHCGWRAXCD-VIFPVBQESA-N 0 3 233.319 1.302 20 30 BDEDHN CC(=NN[C@H]1CCCSC1)c1c[nH]c(N)n1 ZINC000901277553 584413242 /nfs/dbraw/zinc/41/32/42/584413242.db2.gz DDBOLBDXPYOZHD-QMMMGPOBSA-N 0 3 239.348 1.201 20 30 BDEDHN C[C@H]1CC(=NN[C@@H]2CCCC[C@H]2O)CCN1C ZINC000901339183 584427773 /nfs/dbraw/zinc/42/77/73/584427773.db2.gz JPLNSCWPMASCJU-CYZMBNFOSA-N 0 3 239.363 1.350 20 30 BDEDHN C#CCCOC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000859057164 588995092 /nfs/dbraw/zinc/99/50/92/588995092.db2.gz BGHYPXDDVSJLCM-WDEREUQCSA-N 0 3 236.315 1.361 20 30 BDEDHN CC(=O)NCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902730309 584662361 /nfs/dbraw/zinc/66/23/61/584662361.db2.gz CCACDOJAKAHWND-SNVBAGLBSA-N 0 3 246.314 1.130 20 30 BDEDHN C[C@@H](NC[C@@H]1CCCN1C)c1cc(C#N)ccn1 ZINC000902766708 584666995 /nfs/dbraw/zinc/66/69/95/584666995.db2.gz QAMWVDUUGJQLRN-YPMHNXCESA-N 0 3 244.342 1.698 20 30 BDEDHN CCC[C@@H](O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902802604 584671179 /nfs/dbraw/zinc/67/11/79/584671179.db2.gz PHWHMZZLVZBCIJ-ZYHUDNBSSA-N 0 3 233.315 1.765 20 30 BDEDHN CCC[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902802602 584671493 /nfs/dbraw/zinc/67/14/93/584671493.db2.gz PHWHMZZLVZBCIJ-JQWIXIFHSA-N 0 3 233.315 1.765 20 30 BDEDHN CC[C@@H](NC[C@@H](O)COC)c1cccc(C#N)c1 ZINC000902981558 584708295 /nfs/dbraw/zinc/70/82/95/584708295.db2.gz BCCFFEBFKQMHSO-ZIAGYGMSSA-N 0 3 248.326 1.606 20 30 BDEDHN C[C@@H](NCCC1CC(O)C1)c1cc(C#N)ccn1 ZINC000902973997 584712843 /nfs/dbraw/zinc/71/28/43/584712843.db2.gz ZVKROLJLMIEWRZ-XSRFYTQQSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@H](NCC1=CCOCC1)c1cc(C#N)ccn1 ZINC000903005264 584716949 /nfs/dbraw/zinc/71/69/49/584716949.db2.gz QCMSIVJKXLDPPC-NSHDSACASA-N 0 3 243.310 1.951 20 30 BDEDHN C#CCCc1noc(C[C@@H]2CCN(C)C2)n1 ZINC000904004365 584836969 /nfs/dbraw/zinc/83/69/69/584836969.db2.gz VAOZLPRERLUONB-JTQLQIEISA-N 0 3 219.288 1.130 20 30 BDEDHN C=CCCC(C)(C)NCc1ccc(N)nn1 ZINC000904379727 584876698 /nfs/dbraw/zinc/87/66/98/584876698.db2.gz VQERKPMZMNNDTA-UHFFFAOYSA-N 0 3 220.320 1.893 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000828960762 584904904 /nfs/dbraw/zinc/90/49/04/584904904.db2.gz XYNHCLIHROKEGK-BDAKNGLRSA-N 0 3 220.276 1.123 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC(C(F)(F)F)C1 ZINC000829144406 584905820 /nfs/dbraw/zinc/90/58/20/584905820.db2.gz OHIOBBSVJHPMEU-UHFFFAOYSA-N 0 3 236.237 1.125 20 30 BDEDHN C#CC[C@@H]1CCCN(CC(=O)NCC2CCC2)C1 ZINC000829783984 584907677 /nfs/dbraw/zinc/90/76/77/584907677.db2.gz CUGOEFMMGFSAIR-CQSZACIVSA-N 0 3 248.370 1.638 20 30 BDEDHN CC(C)N1CC(N=Nc2ccncn2)[C@H](C)C1 ZINC000835000747 584917175 /nfs/dbraw/zinc/91/71/75/584917175.db2.gz AKCYACLLIFRLPN-SNVBAGLBSA-N 0 3 233.319 1.605 20 30 BDEDHN C=C(Cl)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000732412159 584937014 /nfs/dbraw/zinc/93/70/14/584937014.db2.gz DKOLCYUPRDAETB-NSHDSACASA-N 0 3 214.740 1.907 20 30 BDEDHN C=CCCCC(=O)N[C@@H]1CN(CC)C[C@H]1C ZINC000755587788 584967321 /nfs/dbraw/zinc/96/73/21/584967321.db2.gz DOALETODMSBZLD-VXGBXAGGSA-N 0 3 224.348 1.799 20 30 BDEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)CC ZINC000735653191 584980487 /nfs/dbraw/zinc/98/04/87/584980487.db2.gz FVTAKEGMVILOGQ-GFCCVEGCSA-N 0 3 239.363 1.917 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000736672718 585009379 /nfs/dbraw/zinc/00/93/79/585009379.db2.gz LRAIJHSHPGKBJV-UWVGGRQHSA-N 0 3 232.283 1.516 20 30 BDEDHN C#CCOc1ccccc1CNC(=O)C(C)C#N ZINC000736680895 585009472 /nfs/dbraw/zinc/00/94/72/585009472.db2.gz ZRZIPMQKTWBNSF-LLVKDONJSA-N 0 3 242.278 1.474 20 30 BDEDHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(C)C#N ZINC000736684470 585009812 /nfs/dbraw/zinc/00/98/12/585009812.db2.gz WOJFSYXTHYONAF-PRHODGIISA-N 0 3 244.298 1.438 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC000838038369 585042873 /nfs/dbraw/zinc/04/28/73/585042873.db2.gz ZOYOINFZLZEHSG-YPMHNXCESA-N 0 3 224.348 1.655 20 30 BDEDHN C=CCONC(=O)N(C)CC1CCN(C)CC1 ZINC000838707782 585065749 /nfs/dbraw/zinc/06/57/49/585065749.db2.gz PTVMVKQRWQEKCY-UHFFFAOYSA-N 0 3 241.335 1.087 20 30 BDEDHN C=CCN(CCC(=O)N1CCCC1)C1CC1 ZINC000838911598 585077805 /nfs/dbraw/zinc/07/78/05/585077805.db2.gz YEOCSMIZGSGNEC-UHFFFAOYSA-N 0 3 222.332 1.649 20 30 BDEDHN C#C[C@H](C)N[C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000839088026 585090589 /nfs/dbraw/zinc/09/05/89/585090589.db2.gz KTYVCIGKPLKFRA-ZRUFSTJUSA-N 0 3 213.346 1.507 20 30 BDEDHN C=CCNC(=S)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000741485212 585114577 /nfs/dbraw/zinc/11/45/77/585114577.db2.gz IBOPALPPRRELKX-MNOVXSKESA-N 0 3 241.404 1.461 20 30 BDEDHN C=C(C)CNC(=S)NCCN1CCC[C@H]1C ZINC000743015694 585132986 /nfs/dbraw/zinc/13/29/86/585132986.db2.gz AQJHHEIRVRSXQQ-LLVKDONJSA-N 0 3 241.404 1.511 20 30 BDEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCCC#N ZINC000743853704 585141152 /nfs/dbraw/zinc/14/11/52/585141152.db2.gz CSRVBPGPOHAPLX-AGIUHOORSA-N 0 3 249.358 1.669 20 30 BDEDHN COc1ccccc1CC(N=NC(=N)N)C(C)C 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/nfs/dbraw/zinc/27/39/44/585273944.db2.gz UNMCVZQQDLHGKN-UHFFFAOYSA-N 0 3 234.343 1.344 20 30 BDEDHN CC(C)N1CC(N=Nc2ncccn2)[C@H](C)C1 ZINC000754259745 585281465 /nfs/dbraw/zinc/28/14/65/585281465.db2.gz SCODWSLWFIVDGR-SNVBAGLBSA-N 0 3 233.319 1.605 20 30 BDEDHN C#CCCCN1CCCC[C@]1(C)C(N)=O ZINC000755255047 585296997 /nfs/dbraw/zinc/29/69/97/585296997.db2.gz MRBCWZNSORYACS-GFCCVEGCSA-N 0 3 208.305 1.130 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755614867 585302255 /nfs/dbraw/zinc/30/22/55/585302255.db2.gz TZJHMNBUYADFJK-NXEZZACHSA-N 0 3 238.331 1.904 20 30 BDEDHN C#CCNC(=O)CN(CC)C1CC(C)(C)C1 ZINC000839663304 585334637 /nfs/dbraw/zinc/33/46/37/585334637.db2.gz IJTYSBYMEOAXSY-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757711369 585344626 /nfs/dbraw/zinc/34/46/26/585344626.db2.gz HMDRJCKCMMISLX-AAEUAGOBSA-N 0 3 249.358 1.182 20 30 BDEDHN C#CCCNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000758848393 585360780 /nfs/dbraw/zinc/36/07/80/585360780.db2.gz XKNGTKICISRITD-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2ccncn2)O1 ZINC000760338067 585390417 /nfs/dbraw/zinc/39/04/17/585390417.db2.gz DFSBIVPCJRJMGB-JFGNBEQYSA-N 0 3 245.282 1.610 20 30 BDEDHN C#CCOCCN(C)Cc1ccccc1 ZINC000761110812 585408484 /nfs/dbraw/zinc/40/84/84/585408484.db2.gz VYVVNKANKUYDSA-UHFFFAOYSA-N 0 3 203.285 1.768 20 30 BDEDHN C#CCOCCN(C)Cc1cccc(C#N)c1 ZINC000761109140 585409731 /nfs/dbraw/zinc/40/97/31/585409731.db2.gz NPZBXLGFSFFEJE-UHFFFAOYSA-N 0 3 228.295 1.640 20 30 BDEDHN C#CCOCCN(C)Cc1cccc(N(C)C)c1 ZINC000761113749 585410110 /nfs/dbraw/zinc/41/01/10/585410110.db2.gz JJUHZJVNKZUUBP-UHFFFAOYSA-N 0 3 246.354 1.834 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000761868714 585421287 /nfs/dbraw/zinc/42/12/87/585421287.db2.gz YWXDUGQXDHILKA-IVZWLZJFSA-N 0 3 236.271 1.367 20 30 BDEDHN Cn1cc(N=NC2CCN3CCC[C@@H]23)cn1 ZINC000761881992 585421907 /nfs/dbraw/zinc/42/19/07/585421907.db2.gz UAJOMRYQGPUOFV-NSHDSACASA-N 0 3 219.292 1.056 20 30 BDEDHN C[C@@H]1CC(N=Nc2cnn(C)c2)CCN1C ZINC000761881176 585421911 /nfs/dbraw/zinc/42/19/11/585421911.db2.gz KRPGTYFSNILFPF-SECBINFHSA-N 0 3 221.308 1.302 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](CCO)c1cccs1 ZINC000761936206 585423153 /nfs/dbraw/zinc/42/31/53/585423153.db2.gz LIZTUWXNPYBMMP-BDAKNGLRSA-N 0 3 238.312 1.447 20 30 BDEDHN N#CCC1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763762353 585454170 /nfs/dbraw/zinc/45/41/70/585454170.db2.gz WHQUQZHGTXGVNN-GFCCVEGCSA-N 0 3 248.326 1.708 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccccc1 ZINC000763894198 585456144 /nfs/dbraw/zinc/45/61/44/585456144.db2.gz BEYXOIRNKQJYPQ-UHFFFAOYSA-N 0 3 218.300 1.421 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccccc1F ZINC000763904591 585456854 /nfs/dbraw/zinc/45/68/54/585456854.db2.gz ZZORRAZYXPLXCH-UHFFFAOYSA-N 0 3 222.263 1.882 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000763919928 585457214 /nfs/dbraw/zinc/45/72/14/585457214.db2.gz PUFMIHGCRGPZMM-ZYHUDNBSSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000764168684 585461034 /nfs/dbraw/zinc/46/10/34/585461034.db2.gz DCNQPFIUKWRYQB-PWSUYJOCSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccccn1 ZINC000764390127 585464559 /nfs/dbraw/zinc/46/45/59/585464559.db2.gz ZFLAKEOYLZIGJA-UHFFFAOYSA-N 0 3 233.315 1.158 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000764541213 585467312 /nfs/dbraw/zinc/46/73/12/585467312.db2.gz PWTJPPWXTSIPGY-SMDDNHRTSA-N 0 3 249.358 1.693 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000764625460 585469150 /nfs/dbraw/zinc/46/91/50/585469150.db2.gz LJLCBKBFDCVZNH-LLVKDONJSA-N 0 3 242.363 1.018 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(O)cc1 ZINC000764629053 585469413 /nfs/dbraw/zinc/46/94/13/585469413.db2.gz JVYQEZHGQLVLMP-UHFFFAOYSA-N 0 3 220.272 1.449 20 30 BDEDHN c1cncc(CON=C2CCN3CCC[C@@H]23)c1 ZINC000765583963 585490323 /nfs/dbraw/zinc/49/03/23/585490323.db2.gz IXMIEBOWKGEZIC-ZDUSSCGKSA-N 0 3 231.299 1.822 20 30 BDEDHN C#CCCCN(C)CC(=O)NCc1ccco1 ZINC000766895453 585509292 /nfs/dbraw/zinc/50/92/92/585509292.db2.gz MMTUGJNWKSRZPC-UHFFFAOYSA-N 0 3 234.299 1.241 20 30 BDEDHN C#CCCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000766907223 585511038 /nfs/dbraw/zinc/51/10/38/585511038.db2.gz XBHCKERHNDCTRP-NWDGAFQWSA-N 0 3 220.316 1.143 20 30 BDEDHN C#CCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000766907271 585511094 /nfs/dbraw/zinc/51/10/94/585511094.db2.gz XYJKUXQNNQKSMM-CHWSQXEVSA-N 0 3 223.316 1.280 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@H]1[C@H](C)CCC ZINC000767909016 585528148 /nfs/dbraw/zinc/52/81/48/585528148.db2.gz YAUAMDBRWGTMRI-OLZOCXBDSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCCN(CC(F)(F)F)C(=O)C(C)C#N ZINC000768618074 585540993 /nfs/dbraw/zinc/54/09/93/585540993.db2.gz NSFYXZDXBQYPCX-MRVPVSSYSA-N 0 3 232.205 1.560 20 30 BDEDHN C#CCN(CC)Cc1ccccc1-n1cncn1 ZINC000769111427 585549408 /nfs/dbraw/zinc/54/94/08/585549408.db2.gz OPVOPVKJSCWJQL-UHFFFAOYSA-N 0 3 240.310 1.722 20 30 BDEDHN C#C[C@H](C)N(C)Cc1ccccc1CC(=O)OC ZINC000769953507 585567114 /nfs/dbraw/zinc/56/71/14/585567114.db2.gz OINLHRHMERTHQJ-LBPRGKRZSA-N 0 3 245.322 1.856 20 30 BDEDHN N#CCCNC(=O)CN1CCCC12CCC2 ZINC000769985268 585568582 /nfs/dbraw/zinc/56/85/82/585568582.db2.gz WOHIWEYTXHKARQ-UHFFFAOYSA-N 0 3 221.304 1.035 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nccn2C)C1 ZINC000770027491 585569792 /nfs/dbraw/zinc/56/97/92/585569792.db2.gz UEDPHUHZMMVGLH-QWHCGFSZSA-N 0 3 249.358 1.537 20 30 BDEDHN COc1ccc(C#N)cc1CN[C@H](CO)C1CC1 ZINC000771813857 585601020 /nfs/dbraw/zinc/60/10/20/585601020.db2.gz QCHDBLKGLBQTQP-CYBMUJFWSA-N 0 3 246.310 1.427 20 30 BDEDHN CCN(CC)CCOC(=O)C1(C#N)CCC1 ZINC000772139222 585609087 /nfs/dbraw/zinc/60/90/87/585609087.db2.gz JXJSNATUOQKQJR-UHFFFAOYSA-N 0 3 224.304 1.565 20 30 BDEDHN CC1(C)OCC(N[C@@H]2CCC[C@@H](C#N)C2)CO1 ZINC000774347885 585656839 /nfs/dbraw/zinc/65/68/39/585656839.db2.gz LRRQMWRTNWNLML-GHMZBOCLSA-N 0 3 238.331 1.810 20 30 BDEDHN CCOCCON=C1CN2CCC1CC2 ZINC000774422887 585658458 /nfs/dbraw/zinc/65/84/58/585658458.db2.gz QKKYCSZBKPRTEB-UHFFFAOYSA-N 0 3 212.293 1.121 20 30 BDEDHN C#C[C@@H](NCCc1cccnc1)[C@@H]1CCCO1 ZINC000775787966 585684731 /nfs/dbraw/zinc/68/47/31/585684731.db2.gz CAYXUPAWPPLCHZ-KGLIPLIRSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@@H](NCCCc1cnn(C)c1)[C@H]1CCCO1 ZINC000775799528 585685032 /nfs/dbraw/zinc/68/50/32/585685032.db2.gz KRXGILUBVVNEHH-ZIAGYGMSSA-N 0 3 247.342 1.123 20 30 BDEDHN CC(C#N)C(=O)NC[Si](C)(C)c1ccccc1 ZINC000776224801 585693648 /nfs/dbraw/zinc/69/36/48/585693648.db2.gz BJLYNWSATHVPEM-NSHDSACASA-N 0 3 246.386 1.417 20 30 BDEDHN C#CCCN1CCN([C@@H](C)CCOC)CC1 ZINC000776594433 585702337 /nfs/dbraw/zinc/70/23/37/585702337.db2.gz GIFNATORBZALHT-ZDUSSCGKSA-N 0 3 224.348 1.052 20 30 BDEDHN C#CCN1CCC(Nc2cc(C)ccn2)CC1 ZINC000776770324 585705356 /nfs/dbraw/zinc/70/53/56/585705356.db2.gz SYHWFEODBWBQMO-UHFFFAOYSA-N 0 3 229.327 1.900 20 30 BDEDHN C=C(C)CNC(=O)NC[C@H](C)N1CCCCC1 ZINC000777654600 585718053 /nfs/dbraw/zinc/71/80/53/585718053.db2.gz YGTOZKDRVNALLT-LBPRGKRZSA-N 0 3 239.363 1.736 20 30 BDEDHN C#C[C@H](NC[C@H](OCC)C1CC1)[C@@H]1CCCO1 ZINC000859258282 589025055 /nfs/dbraw/zinc/02/50/55/589025055.db2.gz LVWWPSFFKUBLAY-IHRRRGAJSA-N 0 3 237.343 1.572 20 30 BDEDHN C#CCCNC(=O)CCN(C)c1ccncc1 ZINC000779522097 585755970 /nfs/dbraw/zinc/75/59/70/585755970.db2.gz RDRRJMAMCHQWFW-UHFFFAOYSA-N 0 3 231.299 1.047 20 30 BDEDHN CC[C@@H]1C[C@@H](C=NNC2=N[C@@H](C)CN2)CCO1 ZINC000779784500 585763001 /nfs/dbraw/zinc/76/30/01/585763001.db2.gz LPIZLPZLXAMVLW-GARJFASQSA-N 0 3 238.335 1.115 20 30 BDEDHN C[C@H]1CN=C(NN=Cc2cccs2)N1 ZINC000779794401 585764454 /nfs/dbraw/zinc/76/44/54/585764454.db2.gz HQDTWHCUTGACTD-ZETCQYMHSA-N 0 3 208.290 1.019 20 30 BDEDHN CCC[NH+](CCC)CCCC(=O)N[O-] ZINC000782173595 585809624 /nfs/dbraw/zinc/80/96/24/585809624.db2.gz UUNMOXAWFCZROR-UHFFFAOYSA-N 0 3 202.298 1.394 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)OC)[C@H]1C ZINC000787326644 585907023 /nfs/dbraw/zinc/90/70/23/585907023.db2.gz JCDIGJFAUSLCGK-QJPTWQEYSA-N 0 3 223.316 1.672 20 30 BDEDHN C#CCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000789802551 585950521 /nfs/dbraw/zinc/95/05/21/585950521.db2.gz YRJSTXWJHMZPGY-LBPRGKRZSA-N 0 3 221.300 1.570 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790388856 585964306 /nfs/dbraw/zinc/96/43/06/585964306.db2.gz MFDHDADCNLUMHP-MELADBBJSA-N 0 3 237.343 1.668 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N[C@H]1CCCN(C)C1 ZINC000791027811 585972363 /nfs/dbraw/zinc/97/23/63/585972363.db2.gz ZKSKVHTWZXYOSM-RYUDHWBXSA-N 0 3 237.347 1.182 20 30 BDEDHN C=CCNC(=S)N1CC[C@@]2(CCN(C)C2)C1 ZINC000793322645 586016707 /nfs/dbraw/zinc/01/67/07/586016707.db2.gz OYEVVXDQGJWJHQ-GFCCVEGCSA-N 0 3 239.388 1.075 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000793430274 586019598 /nfs/dbraw/zinc/01/95/98/586019598.db2.gz KAILXMUYQQMXOA-CYBMUJFWSA-N 0 3 248.370 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000794512469 586041061 /nfs/dbraw/zinc/04/10/61/586041061.db2.gz FLMVDCCEIJAJKE-LBPRGKRZSA-N 0 3 240.347 1.130 20 30 BDEDHN C[C@H](NC1CCN(CC#N)CC1)c1ncc[nH]1 ZINC000796755153 586111543 /nfs/dbraw/zinc/11/15/43/586111543.db2.gz MXFZEXGYFKPGGN-JTQLQIEISA-N 0 3 233.319 1.048 20 30 BDEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1ccncn1 ZINC000796845421 586114611 /nfs/dbraw/zinc/11/46/11/586114611.db2.gz IXRDTVAEOIAIAO-KWBADKCTSA-N 0 3 247.298 1.714 20 30 BDEDHN C=C(C)CNC(=S)NC1(CN(C)C)CCC1 ZINC000798376291 586143285 /nfs/dbraw/zinc/14/32/85/586143285.db2.gz ZQIQOEBIFMGJAO-UHFFFAOYSA-N 0 3 241.404 1.511 20 30 BDEDHN C=C[C@H](OC(=O)C1CCN(C)C1=O)C(C)(C)C ZINC000798902190 586153152 /nfs/dbraw/zinc/15/31/52/586153152.db2.gz UUZOHNCIAAQINB-ZJUUUORDSA-N 0 3 239.315 1.609 20 30 BDEDHN N=C(N)N=NC1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000799108452 586157033 /nfs/dbraw/zinc/15/70/33/586157033.db2.gz BBQDZGCHXJUOAV-BDAKNGLRSA-N 0 3 224.308 1.052 20 30 BDEDHN C[C@H]1CC(N=NCC(C)(C)CO)CN1C1CC1 ZINC000799115446 586157832 /nfs/dbraw/zinc/15/78/32/586157832.db2.gz XZFSTIAMAGDYMA-JTQLQIEISA-N 0 3 239.363 1.207 20 30 BDEDHN C#C[C@@](C)(CC)NC[C@H](O)CC1(O)CCC1 ZINC000859318464 589031396 /nfs/dbraw/zinc/03/13/96/589031396.db2.gz BREVGAFCBWSDEJ-NEPJUHHUSA-N 0 3 225.332 1.044 20 30 BDEDHN C=CCCN(C)C[C@H](O)c1ccc(F)cn1 ZINC000799321894 586171876 /nfs/dbraw/zinc/17/18/76/586171876.db2.gz BJSBNOLLVIBKIY-LBPRGKRZSA-N 0 3 224.279 1.762 20 30 BDEDHN CC#CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000801197672 586247705 /nfs/dbraw/zinc/24/77/05/586247705.db2.gz HTWWUGYAXBQZCT-IUODEOHRSA-N 0 3 244.338 1.817 20 30 BDEDHN C#CCCCN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000801551693 586261628 /nfs/dbraw/zinc/26/16/28/586261628.db2.gz ZFZXQTBZOGHVBQ-GFCCVEGCSA-N 0 3 244.342 1.652 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC[C@@H](n2ccnc2)C1 ZINC000801918561 586276375 /nfs/dbraw/zinc/27/63/75/586276375.db2.gz RCMVIXCADZWDMX-QWHCGFSZSA-N 0 3 248.330 1.449 20 30 BDEDHN CCC1(CO)CCN(CCO[C@@H](C)C#N)CC1 ZINC000801935470 586280128 /nfs/dbraw/zinc/28/01/28/586280128.db2.gz FPROVYFVBWSPDS-LBPRGKRZSA-N 0 3 240.347 1.400 20 30 BDEDHN C#C[C@@H](NCCc1ccnn1CC)[C@@H]1CCCO1 ZINC000801942459 586281502 /nfs/dbraw/zinc/28/15/02/586281502.db2.gz ASTICKLNYDWQTF-KGLIPLIRSA-N 0 3 247.342 1.216 20 30 BDEDHN C=CCN1CCN(CN2CCC[C@H]2CC)C1=O ZINC000839989103 586332807 /nfs/dbraw/zinc/33/28/07/586332807.db2.gz TUYVYWLJXQKVLE-GFCCVEGCSA-N 0 3 237.347 1.742 20 30 BDEDHN CC[C@@](C)(C#N)C(=O)NCCN1CCC[C@@H]1C ZINC000807272007 586430880 /nfs/dbraw/zinc/43/08/80/586430880.db2.gz VLWNKMFJIUJVPL-AAEUAGOBSA-N 0 3 237.347 1.527 20 30 BDEDHN CSCC[C@H](C)N(C)C[C@H](O)CC#N ZINC000809576160 586507751 /nfs/dbraw/zinc/50/77/51/586507751.db2.gz QKMLQHLTEPEIJV-VHSXEESVSA-N 0 3 216.350 1.334 20 30 BDEDHN C#Cc1ccc(CNCC[C@@H](C)[S@](C)=O)cc1 ZINC000809634081 586510437 /nfs/dbraw/zinc/51/04/37/586510437.db2.gz QTYHVPDJKZXSQQ-PXAZEXFGSA-N 0 3 249.379 1.915 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)CO)cc1 ZINC000809742580 586516041 /nfs/dbraw/zinc/51/60/41/586516041.db2.gz DUEQUTGSIZPUFE-RYUDHWBXSA-N 0 3 248.326 1.790 20 30 BDEDHN CC[C@H](O)CNN=Cc1ccc(N(C)C)cc1 ZINC000811652248 586563544 /nfs/dbraw/zinc/56/35/44/586563544.db2.gz FFXLOSYKEJWCEP-ZDUSSCGKSA-N 0 3 235.331 1.447 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCC1CC1 ZINC000813059521 586590218 /nfs/dbraw/zinc/59/02/18/586590218.db2.gz BDNKNMMZBQFXAV-NSHDSACASA-N 0 3 234.299 1.578 20 30 BDEDHN C#CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813099954 586591660 /nfs/dbraw/zinc/59/16/60/586591660.db2.gz IHCJYSAWSFHMCC-QMMMGPOBSA-N 0 3 213.233 1.244 20 30 BDEDHN C#C[C@@H](NC(=O)CC1CCN(C)CC1)C(C)C ZINC000813557010 586603712 /nfs/dbraw/zinc/60/37/12/586603712.db2.gz BLJVAGADJPCASK-CYBMUJFWSA-N 0 3 236.359 1.492 20 30 BDEDHN CC(C)CNN=C1CCN(CC(C)(C)O)CC1 ZINC000814226358 586618370 /nfs/dbraw/zinc/61/83/70/586618370.db2.gz VTYCZHPMZPLCIJ-UHFFFAOYSA-N 0 3 241.379 1.455 20 30 BDEDHN CC(=NNCCO)c1ccc(CN(C)C)cc1 ZINC000814942962 586657005 /nfs/dbraw/zinc/65/70/05/586657005.db2.gz BFNATUZIKSGHBT-UHFFFAOYSA-N 0 3 235.331 1.054 20 30 BDEDHN CC(=NNC[C@@H](C)O)c1ccccc1N(C)C ZINC000814962707 586660447 /nfs/dbraw/zinc/66/04/47/586660447.db2.gz RMRRQOANBXCPQT-SNVBAGLBSA-N 0 3 235.331 1.447 20 30 BDEDHN C[C@@H](CNC(=O)CC1(C#N)CC1)N1CCCCC1 ZINC000815076639 586665153 /nfs/dbraw/zinc/66/51/53/586665153.db2.gz VKSQJHWJJFOBII-LBPRGKRZSA-N 0 3 249.358 1.671 20 30 BDEDHN CC#CCN(C)CCCc1cnn(C)c1 ZINC000815285292 586677230 /nfs/dbraw/zinc/67/72/30/586677230.db2.gz CPFKZQUDUUZAAN-UHFFFAOYSA-N 0 3 205.305 1.308 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000815909003 586696745 /nfs/dbraw/zinc/69/67/45/586696745.db2.gz ONAPOOCXUWPQQC-VWYCJHECSA-N 0 3 232.283 1.044 20 30 BDEDHN C[C@@H](C(=O)C(C#N)c1ccncn1)C(C)(F)F ZINC000816019658 586704009 /nfs/dbraw/zinc/70/40/09/586704009.db2.gz SPQKUJGCEVZZJW-JGVFFNPUSA-N 0 3 239.225 1.944 20 30 BDEDHN C#CCC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816954491 586774391 /nfs/dbraw/zinc/77/43/91/586774391.db2.gz 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219.288 1.164 20 30 BDEDHN N#CCC1(CNC[C@H](O)c2ccc(F)cn2)CC1 ZINC000819280338 586947000 /nfs/dbraw/zinc/94/70/00/586947000.db2.gz CDTMUYNMWTWCLK-LBPRGKRZSA-N 0 3 249.289 1.538 20 30 BDEDHN C#Cc1cccc(CNC[C@@H](O)CSC)c1 ZINC000819356998 586956383 /nfs/dbraw/zinc/95/63/83/586956383.db2.gz KDLBSHNPUYIYCY-CYBMUJFWSA-N 0 3 235.352 1.481 20 30 BDEDHN OCCN1CCC(=NOC2CCCC2)CC1 ZINC000819812011 586997475 /nfs/dbraw/zinc/99/74/75/586997475.db2.gz HZPNYHYDHGROEY-UHFFFAOYSA-N 0 3 226.320 1.390 20 30 BDEDHN C#C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000820401079 587046339 /nfs/dbraw/zinc/04/63/39/587046339.db2.gz VSQDXUPXHMIJGG-NWDGAFQWSA-N 0 3 237.347 1.132 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(CCN(C)C)CC(C)C ZINC000820439842 587049179 /nfs/dbraw/zinc/04/91/79/587049179.db2.gz CUVBSXONDYVRFO-GFCCVEGCSA-N 0 3 239.363 1.237 20 30 BDEDHN C/C=C/C[C@@H]1CCCN(CC(=O)NCCC#N)C1 ZINC000860179039 589087056 /nfs/dbraw/zinc/08/70/56/589087056.db2.gz PVBSDFATUWEYSO-YWVDXFKGSA-N 0 3 249.358 1.694 20 30 BDEDHN C#CCCN1CCCC[C@@H]1CNC(C)=O ZINC000860177301 589087296 /nfs/dbraw/zinc/08/72/96/589087296.db2.gz OYPZJRWORAWWFS-GFCCVEGCSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCCN1CCCC[C@H]1CNC(C)=O ZINC000860177302 589087385 /nfs/dbraw/zinc/08/73/85/589087385.db2.gz OYPZJRWORAWWFS-LBPRGKRZSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](C/C=C/C)C1 ZINC000860180758 589087811 /nfs/dbraw/zinc/08/78/11/589087811.db2.gz ZXTZTPOFTQWVAZ-HHAVJRIZSA-N 0 3 248.370 1.803 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1nccc(C)n1 ZINC000823704801 587237338 /nfs/dbraw/zinc/23/73/38/587237338.db2.gz NYVNJIMQXLIJER-LLVKDONJSA-N 0 3 248.330 1.080 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2ccnn2C)C1 ZINC000827438438 587380989 /nfs/dbraw/zinc/38/09/89/587380989.db2.gz PWQGRALWJOGUIU-GXTWGEPZSA-N 0 3 249.358 1.537 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H](CC(C)C)N(C)C ZINC000827489416 587382532 /nfs/dbraw/zinc/38/25/32/587382532.db2.gz QDAJETRKNAERBL-CYBMUJFWSA-N 0 3 238.375 1.738 20 30 BDEDHN C#C[C@@H](NCc1cnc(C)nc1)C1CCOCC1 ZINC000827570330 587389623 /nfs/dbraw/zinc/38/96/23/587389623.db2.gz LWXQOCPFBFYORY-CQSZACIVSA-N 0 3 245.326 1.303 20 30 BDEDHN C#Cc1cnc(NC2CCN(CC=C)CC2)nc1 ZINC000827583079 587390617 /nfs/dbraw/zinc/39/06/17/587390617.db2.gz BZJALBQAOHJFGF-UHFFFAOYSA-N 0 3 242.326 1.520 20 30 BDEDHN C#Cc1cnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000827740160 587400837 /nfs/dbraw/zinc/40/08/37/587400837.db2.gz VZFXIUJUIYAWOP-ZYHUDNBSSA-N 0 3 242.326 1.495 20 30 BDEDHN C#CCCN(CCOC)Cc1cccc(O)c1 ZINC000827818246 587404167 /nfs/dbraw/zinc/40/41/67/587404167.db2.gz PICGMZFBTVZUSG-UHFFFAOYSA-N 0 3 233.311 1.864 20 30 BDEDHN C=C[C@H]1CCCCN1CC[S@@](C)=O ZINC000829314442 587491862 /nfs/dbraw/zinc/49/18/62/587491862.db2.gz YUASTZHJMSJFBC-GXFFZTMASA-N 0 3 201.335 1.405 20 30 BDEDHN CN(C)CCN(C)C(=O)c1cc(C#N)ccc1F ZINC000829512594 587501624 /nfs/dbraw/zinc/50/16/24/587501624.db2.gz DIQTXKZXZHDSKN-UHFFFAOYSA-N 0 3 249.289 1.331 20 30 BDEDHN C=CC[C@H](NC(=O)[C@@H](C)N)c1ccncc1 ZINC000829690358 587510076 /nfs/dbraw/zinc/51/00/76/587510076.db2.gz RMXKZKLNPIFEEQ-KOLCDFICSA-N 0 3 219.288 1.162 20 30 BDEDHN C#CC[C@@H]1CCCN(C/C=C(\C)C(=O)OC)C1 ZINC000829785830 587516295 /nfs/dbraw/zinc/51/62/95/587516295.db2.gz ZGHVZTDQNXZEGO-YQCJOKCJSA-N 0 3 235.327 1.841 20 30 BDEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000830110492 587536524 /nfs/dbraw/zinc/53/65/24/587536524.db2.gz GXVSCONSNKKPPZ-QJPTWQEYSA-N 0 3 224.348 1.798 20 30 BDEDHN CC(C#N)C(=O)NN1CCC(C(C)(C)C)CC1 ZINC000830259345 587544510 /nfs/dbraw/zinc/54/45/10/587544510.db2.gz KEACJKPTFQTBCI-JTQLQIEISA-N 0 3 237.347 1.935 20 30 BDEDHN C#CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000830305373 587545258 /nfs/dbraw/zinc/54/52/58/587545258.db2.gz MJWUKADMSLRUEO-UHFFFAOYSA-N 0 3 242.322 1.631 20 30 BDEDHN C=C(Cl)CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000830812332 587571589 /nfs/dbraw/zinc/57/15/89/587571589.db2.gz MGADNNWBEXBIPT-QJPTWQEYSA-N 0 3 245.750 1.601 20 30 BDEDHN C[C@H](C#N)OCCN1CCSC[C@@H]1C1CC1 ZINC000831777774 587631502 /nfs/dbraw/zinc/63/15/02/587631502.db2.gz GBDGIRYPFGNFHV-ZYHUDNBSSA-N 0 3 240.372 1.742 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C(\C)C(=O)OC ZINC000831830578 587633674 /nfs/dbraw/zinc/63/36/74/587633674.db2.gz WZGNGAKAPWRBBA-XJUJAYADSA-N 0 3 239.315 1.429 20 30 BDEDHN N#CCNC(=O)CN1CCCCCCCC1 ZINC000831926268 587636529 /nfs/dbraw/zinc/63/65/29/587636529.db2.gz KFEKHCBXCFXARE-UHFFFAOYSA-N 0 3 223.320 1.282 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)nn1C ZINC000834889307 587769569 /nfs/dbraw/zinc/76/95/69/587769569.db2.gz UKGGGFKFDBZERQ-LOWVWBTDSA-N 0 3 235.331 1.723 20 30 BDEDHN C[C@H]1CC(N=N[C@H]2CCOC2(C)C)CCN1C ZINC000835016534 587778406 /nfs/dbraw/zinc/77/84/06/587778406.db2.gz GOEDCSNLEXOCBE-JQWIXIFHSA-N 0 3 239.363 1.614 20 30 BDEDHN C[C@@H]1CC(N=N[C@@H]2CCOC2(C)C)CCN1C ZINC000835016539 587778451 /nfs/dbraw/zinc/77/84/51/587778451.db2.gz GOEDCSNLEXOCBE-ZYHUDNBSSA-N 0 3 239.363 1.614 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)C1CCCC1 ZINC000837087338 587852539 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VGXOMEZKPACFDG-LBPRGKRZSA-N 0 3 237.347 1.623 20 30 BDEDHN CCOC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000311211681 136275909 /nfs/dbraw/zinc/27/59/09/136275909.db2.gz LFBJQFZUIYCGKM-RISCZKNCSA-N 0 3 248.326 1.606 20 30 BDEDHN C=CCN(C(=O)[C@H](CC)N(C)C)C1CC1 ZINC000298134533 343237414 /nfs/dbraw/zinc/23/74/14/343237414.db2.gz BQPLYTUHAXKIBI-NSHDSACASA-N 0 3 210.321 1.504 20 30 BDEDHN CC(C)[C@@H]1CN(CCOCCC#N)CCS1 ZINC000339015362 136280149 /nfs/dbraw/zinc/28/01/49/136280149.db2.gz WDCNPJJMVKWDII-LBPRGKRZSA-N 0 3 242.388 1.990 20 30 BDEDHN N#CCCCN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291741883 136288833 /nfs/dbraw/zinc/28/88/33/136288833.db2.gz KAYFWFREPKNDAA-OAHLLOKOSA-N 0 3 244.338 1.926 20 30 BDEDHN C=C(C)CNCc1ccc(S(C)(=O)=O)cc1 ZINC000051753630 343259973 /nfs/dbraw/zinc/25/99/73/343259973.db2.gz QPJZBMWVTDZYJO-UHFFFAOYSA-N 0 3 239.340 1.756 20 30 BDEDHN C[C@H](CO)N(C)Cc1ccc(OCC#N)cc1 ZINC000284344833 136287149 /nfs/dbraw/zinc/28/71/49/136287149.db2.gz CLNBHOKUSBHDIR-LLVKDONJSA-N 0 3 234.299 1.402 20 30 BDEDHN C[C@H](Cn1cncn1)NCc1cc(C#N)cs1 ZINC000343758034 343295793 /nfs/dbraw/zinc/29/57/93/343295793.db2.gz AFKSRTHKRJMNKW-SECBINFHSA-N 0 3 247.327 1.390 20 30 BDEDHN C[C@@H]1[C@@H](CO)CCCN1Cc1cc(C#N)n(C)c1 ZINC000335636770 136300965 /nfs/dbraw/zinc/30/09/65/136300965.db2.gz VQQOOOHOWDESGC-DGCLKSJQSA-N 0 3 247.342 1.490 20 30 BDEDHN C=CCCOCC(=O)NCCN1CCCCC1 ZINC000148645413 343393414 /nfs/dbraw/zinc/39/34/14/343393414.db2.gz JPLAAKDFRXNXQX-UHFFFAOYSA-N 0 3 240.347 1.181 20 30 BDEDHN C=C(C)[C@@H](CO)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000641084166 362206331 /nfs/dbraw/zinc/20/63/31/362206331.db2.gz HBHONSZKYUJVPP-MNOVXSKESA-N 0 3 238.335 1.434 20 30 BDEDHN C=CCOc1ccccc1CNC[C@@H](C)O ZINC000006455683 136332495 /nfs/dbraw/zinc/33/24/95/136332495.db2.gz IMIIUXMDRCAWRX-LLVKDONJSA-N 0 3 221.300 1.722 20 30 BDEDHN N#CCCCCN(CC(N)=O)C1CCCC1 ZINC000042428856 343437005 /nfs/dbraw/zinc/43/70/05/343437005.db2.gz RIVQVOLJVRPMKI-UHFFFAOYSA-N 0 3 223.320 1.410 20 30 BDEDHN C[C@H]1C[C@H](NC(=O)CC2(C#N)CC2)CN1C1CC1 ZINC000590296319 346940207 /nfs/dbraw/zinc/94/02/07/346940207.db2.gz RTNYIOGVQLDYBR-QWRGUYRKSA-N 0 3 247.342 1.422 20 30 BDEDHN C#CCSCCN[C@H](C)c1cn[nH]c1 ZINC000296900216 136375984 /nfs/dbraw/zinc/37/59/84/136375984.db2.gz OWLIWYGWSSZPEE-SECBINFHSA-N 0 3 209.318 1.427 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1n[nH]c(CC)n1 ZINC000584094907 343538239 /nfs/dbraw/zinc/53/82/39/343538239.db2.gz CUDQXNUCRCAXJA-ZJUUUORDSA-N 0 3 236.319 1.190 20 30 BDEDHN CC[C@H]1CN(C)CCCN1c1cccc(C#N)n1 ZINC000234157726 343499149 /nfs/dbraw/zinc/49/91/49/343499149.db2.gz WIMPEYGVFJVUDA-ZDUSSCGKSA-N 0 3 244.342 1.874 20 30 BDEDHN C[C@@H]1OCC[C@H]1CN1CC[C@@](C)(C#N)C1 ZINC000602901270 349816587 /nfs/dbraw/zinc/81/65/87/349816587.db2.gz AKEOSMYIPIHNGX-SRVKXCTJSA-N 0 3 208.305 1.647 20 30 BDEDHN COC[C@](C)(CO)NCc1ccc(C#N)c(C)c1 ZINC000618194379 343607271 /nfs/dbraw/zinc/60/72/71/343607271.db2.gz AWXGRODJANAYDM-AWEZNQCLSA-N 0 3 248.326 1.354 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC(SC)CC1 ZINC000602924361 349820575 /nfs/dbraw/zinc/82/05/75/349820575.db2.gz VQJJWJSIVVYRAU-NSHDSACASA-N 0 3 215.362 1.751 20 30 BDEDHN C[C@@H]1C[C@H](O)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000602930148 349822155 /nfs/dbraw/zinc/82/21/55/349822155.db2.gz IBHWMNMLJRZYLQ-UTUOFQBUSA-N 0 3 240.347 1.132 20 30 BDEDHN CC(C)[C@@H]1CN(CCOCCC#N)CCCO1 ZINC000339822466 343703643 /nfs/dbraw/zinc/70/36/43/343703643.db2.gz QEYSHRCDMGYSKZ-ZDUSSCGKSA-N 0 3 240.347 1.664 20 30 BDEDHN CC1(C)COC[C@@H]1NCc1ccnc(C#N)c1 ZINC000313013924 343729722 /nfs/dbraw/zinc/72/97/22/343729722.db2.gz DMRFOIPWJFCRNX-LBPRGKRZSA-N 0 3 231.299 1.468 20 30 BDEDHN C[C@]1(C2CCCCC2)CCN1CC(=O)NCC#N ZINC000603028816 349859219 /nfs/dbraw/zinc/85/92/19/349859219.db2.gz GRHJJTIPQNAWBV-CQSZACIVSA-N 0 3 249.358 1.671 20 30 BDEDHN C[C@@]1(C2CCCCC2)CCN1CC(=O)NCC#N ZINC000603028814 349859237 /nfs/dbraw/zinc/85/92/37/349859237.db2.gz GRHJJTIPQNAWBV-AWEZNQCLSA-N 0 3 249.358 1.671 20 30 BDEDHN N#CCNC(=O)CN1CCC[C@@H](C2CCC2)CC1 ZINC000602999421 349852113 /nfs/dbraw/zinc/85/21/13/349852113.db2.gz HRMHKNWHRSCINY-CYBMUJFWSA-N 0 3 249.358 1.528 20 30 BDEDHN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H](N)CCCC#N ZINC000576704762 343757918 /nfs/dbraw/zinc/75/79/18/343757918.db2.gz LXVSUKGFXGEJJY-NEPJUHHUSA-N 0 3 249.358 1.799 20 30 BDEDHN C#CCN(C)CCCCCC(=O)OCC ZINC000013727783 346964594 /nfs/dbraw/zinc/96/45/94/346964594.db2.gz HAPMBZKDJYFWHY-UHFFFAOYSA-N 0 3 211.305 1.675 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000582132053 346970569 /nfs/dbraw/zinc/97/05/69/346970569.db2.gz ZGNBLGHAXJQECE-ZYHUDNBSSA-N 0 3 229.283 1.557 20 30 BDEDHN C[C@H]1CN(C)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000334739224 343902946 /nfs/dbraw/zinc/90/29/46/343902946.db2.gz RKXUSLVNCZBIRR-HZMBPMFUSA-N 0 3 247.317 1.737 20 30 BDEDHN Cc1ccnc(N(C)C[C@H]2CCCN2C)c1C#N ZINC000135084691 343920638 /nfs/dbraw/zinc/92/06/38/343920638.db2.gz WCZXFRUSOJWESH-GFCCVEGCSA-N 0 3 244.342 1.792 20 30 BDEDHN C=CCC[C@H](O)Cn1cc([C@@H](N)CCC)nn1 ZINC000641212195 362272223 /nfs/dbraw/zinc/27/22/23/362272223.db2.gz HFZHJGGSVNRZAX-QWRGUYRKSA-N 0 3 238.335 1.405 20 30 BDEDHN C=CCC[C@H](O)Cn1cc([C@@](C)(N)CC)nn1 ZINC000641212593 362274970 /nfs/dbraw/zinc/27/49/70/362274970.db2.gz MKSXIXCCXUOJFI-JQWIXIFHSA-N 0 3 238.335 1.189 20 30 BDEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000625704827 344049753 /nfs/dbraw/zinc/04/97/53/344049753.db2.gz VJVOQMWXTREENU-CYBMUJFWSA-N 0 3 236.359 1.897 20 30 BDEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@H](C)N1C ZINC000135272392 344079448 /nfs/dbraw/zinc/07/94/48/344079448.db2.gz OHBFBUOPSIQBSE-TXEJJXNPSA-N 0 3 244.342 1.478 20 30 BDEDHN C=CC[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000625814753 344082299 /nfs/dbraw/zinc/08/22/99/344082299.db2.gz TXOCBIXNFZFOSU-QWRGUYRKSA-N 0 3 210.321 1.394 20 30 BDEDHN C#CCSCCNCc1cccc(O)c1 ZINC000152918158 166202662 /nfs/dbraw/zinc/20/26/62/166202662.db2.gz DRSOSLMIDWNZDZ-UHFFFAOYSA-N 0 3 221.325 1.848 20 30 BDEDHN C=CCC[C@@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634753479 344207698 /nfs/dbraw/zinc/20/76/98/344207698.db2.gz HDUAAIDKGYNGGT-GHMZBOCLSA-N 0 3 249.301 1.670 20 30 BDEDHN C=C(C)CNCc1cnc([C@H](C)O)s1 ZINC000289483057 344263237 /nfs/dbraw/zinc/26/32/37/344263237.db2.gz AZGSCMYMSGZVOU-QMMMGPOBSA-N 0 3 212.318 1.862 20 30 BDEDHN CCn1nccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600745824 344368261 /nfs/dbraw/zinc/36/82/61/344368261.db2.gz QAZXGUQWYQASHI-GFCCVEGCSA-N 0 3 248.330 1.047 20 30 BDEDHN N#CC1(C[C@H](O)CNCc2ccoc2)CC1 ZINC000600721439 344363147 /nfs/dbraw/zinc/36/31/47/344363147.db2.gz MIRXCQBGAJOLRD-NSHDSACASA-N 0 3 220.272 1.424 20 30 BDEDHN CC(C#N)C(=O)N1CCCC2(CC2)CC1 ZINC000600767527 344369997 /nfs/dbraw/zinc/36/99/97/344369997.db2.gz BALXDFRUCGXNFI-SNVBAGLBSA-N 0 3 206.289 1.939 20 30 BDEDHN C=CCN(CCC#N)C(=O)CN(C)C1CCC1 ZINC000600824197 344380123 /nfs/dbraw/zinc/38/01/23/344380123.db2.gz FZMHPIGXRWLJRA-UHFFFAOYSA-N 0 3 235.331 1.399 20 30 BDEDHN CN(CC(C)(C)C#N)C(=O)CN(C)C1CCC1 ZINC000600824257 344380145 /nfs/dbraw/zinc/38/01/45/344380145.db2.gz MESFHEZGTXOJRX-UHFFFAOYSA-N 0 3 237.347 1.479 20 30 BDEDHN CC(C)(C#N)CNCCC1CCOCC1 ZINC000258825641 344506406 /nfs/dbraw/zinc/50/64/06/344506406.db2.gz AQWNTVAQQRDRRK-UHFFFAOYSA-N 0 3 210.321 1.942 20 30 BDEDHN CCC[C@H](O)CNCc1cc(C#N)cs1 ZINC000135492713 344474147 /nfs/dbraw/zinc/47/41/47/344474147.db2.gz MCCJGSZULTUAOE-JTQLQIEISA-N 0 3 224.329 1.870 20 30 BDEDHN COC[C@@H](C)NCc1ccc(C#N)s1 ZINC000135494179 344483530 /nfs/dbraw/zinc/48/35/30/344483530.db2.gz OONLZGUGGAFDDY-MRVPVSSYSA-N 0 3 210.302 1.744 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc(F)cc1 ZINC000044811040 344549216 /nfs/dbraw/zinc/54/92/16/344549216.db2.gz WNFAQDUDENOKAC-MRVPVSSYSA-N 0 3 206.220 1.602 20 30 BDEDHN CC(C#N)C(=O)NCCc1ccsc1 ZINC000044825232 344551122 /nfs/dbraw/zinc/55/11/22/344551122.db2.gz QFRVOMHOCRVWGL-MRVPVSSYSA-N 0 3 208.286 1.566 20 30 BDEDHN CC(C#N)C(=O)NCCc1ccsc1 ZINC000044825231 344551137 /nfs/dbraw/zinc/55/11/37/344551137.db2.gz QFRVOMHOCRVWGL-QMMMGPOBSA-N 0 3 208.286 1.566 20 30 BDEDHN Cc1occc1CN(C)C(=O)C(C)C#N ZINC000044824387 344551154 /nfs/dbraw/zinc/55/11/54/344551154.db2.gz JGNUDZQROSLQSP-QMMMGPOBSA-N 0 3 206.245 1.706 20 30 BDEDHN C=CCC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000305098118 344658056 /nfs/dbraw/zinc/65/80/56/344658056.db2.gz WLMPYBYCDBQMCN-AWEZNQCLSA-N 0 3 240.391 1.587 20 30 BDEDHN COCC#CCN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625975965 344638474 /nfs/dbraw/zinc/63/84/74/344638474.db2.gz HMTRVCULWXVPGZ-BJDJZHNGSA-N 0 3 211.305 1.038 20 30 BDEDHN CCN1CCN(Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000289537936 344730046 /nfs/dbraw/zinc/73/00/46/344730046.db2.gz HXZUTEXPAQIBRC-GFCCVEGCSA-N 0 3 246.358 1.423 20 30 BDEDHN C=C(C)CN1CCN(CCCF)CC1 ZINC000626071456 344715966 /nfs/dbraw/zinc/71/59/66/344715966.db2.gz DNADZVPOQKTZJU-UHFFFAOYSA-N 0 3 200.301 1.540 20 30 BDEDHN CN(C[C@H]1CCCN1C)c1cnccc1C#N ZINC000135614308 344805206 /nfs/dbraw/zinc/80/52/06/344805206.db2.gz KXLDRGAGRPTSLY-GFCCVEGCSA-N 0 3 230.315 1.484 20 30 BDEDHN C#CCN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000077331325 344816775 /nfs/dbraw/zinc/81/67/75/344816775.db2.gz ATSRFFZKWIRBKK-GFCCVEGCSA-N 0 3 243.310 1.365 20 30 BDEDHN C=CCN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000077331883 344816985 /nfs/dbraw/zinc/81/69/85/344816985.db2.gz CDVOVFZBBNCXHT-GFCCVEGCSA-N 0 3 245.326 1.918 20 30 BDEDHN CCC1(O)CCN(CCOCCC#N)CC1 ZINC000339006127 168500519 /nfs/dbraw/zinc/50/05/19/168500519.db2.gz UJGAOJSDBYJTGL-UHFFFAOYSA-N 0 3 226.320 1.154 20 30 BDEDHN C=CCOc1ccccc1CNC(=O)C1(N)CC1 ZINC000237803058 344907553 /nfs/dbraw/zinc/90/75/53/344907553.db2.gz UNSAGWHPKYXLGH-UHFFFAOYSA-N 0 3 246.310 1.359 20 30 BDEDHN C=C[C@H](C)NCc1cc(C(=O)OC)c(C)n1C ZINC000305996343 344950224 /nfs/dbraw/zinc/95/02/24/344950224.db2.gz GBGFJKTWFDFADO-VIFPVBQESA-N 0 3 236.315 1.784 20 30 BDEDHN C=CCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000079491547 344978814 /nfs/dbraw/zinc/97/88/14/344978814.db2.gz XDXPBRICUBFFAD-GFCCVEGCSA-N 0 3 224.348 1.358 20 30 BDEDHN C=C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000583449099 344995477 /nfs/dbraw/zinc/99/54/77/344995477.db2.gz BIAKODICDHXEMU-GFCCVEGCSA-N 0 3 222.332 1.507 20 30 BDEDHN CC(C)(C#N)CCN1CCC2(CNC(=O)C2)CC1 ZINC000336353285 534985528 /nfs/dbraw/zinc/98/55/28/534985528.db2.gz IUBZJIADSCWXLD-UHFFFAOYSA-N 0 3 249.358 1.528 20 30 BDEDHN C#C[C@@H](C)NCc1ccc(C(=O)OC)cc1 ZINC000166511374 166211847 /nfs/dbraw/zinc/21/18/47/166211847.db2.gz YQOWCMDQYXZPTE-SNVBAGLBSA-N 0 3 217.268 1.585 20 30 BDEDHN CC#CCCNCc1ccc2c(c1)OCCO2 ZINC000158303050 345315221 /nfs/dbraw/zinc/31/52/21/345315221.db2.gz BYHDNNOOZWWUBU-UHFFFAOYSA-N 0 3 231.295 1.961 20 30 BDEDHN CN(C[C@@H]1CCCN(C)C1)c1cnccc1C#N ZINC000094159989 345681300 /nfs/dbraw/zinc/68/13/00/345681300.db2.gz JMRRCFBKFQHYTK-GFCCVEGCSA-N 0 3 244.342 1.731 20 30 BDEDHN C#C[C@H](C)NCc1cc(OC)cc(OC)c1 ZINC000166399109 166216668 /nfs/dbraw/zinc/21/66/68/166216668.db2.gz IGROZJHHOCSZMN-JTQLQIEISA-N 0 3 219.284 1.815 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631151688 345909476 /nfs/dbraw/zinc/90/94/76/345909476.db2.gz 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/nfs/dbraw/zinc/10/90/47/588109047.db2.gz PWNTYKIHFALIMZ-SMDDNHRTSA-N 0 3 215.296 1.935 20 30 BDEDHN C#C[C@H](NC(=O)C(=C)CN(C)C)c1ccccc1 ZINC000843967201 588152269 /nfs/dbraw/zinc/15/22/69/588152269.db2.gz JROOWARXVJAUOX-AWEZNQCLSA-N 0 3 242.322 1.595 20 30 BDEDHN C#CCCCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843990663 588154132 /nfs/dbraw/zinc/15/41/32/588154132.db2.gz WVDVGADDHUKHIK-ZDUSSCGKSA-N 0 3 236.359 1.733 20 30 BDEDHN C#CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000844006513 588155061 /nfs/dbraw/zinc/15/50/61/588155061.db2.gz YEAQQWQPGKZUEJ-ZDUSSCGKSA-N 0 3 248.370 1.733 20 30 BDEDHN C[C@H](C#N)OCCN1CCC([C@H](C)CO)CC1 ZINC000844415594 588191257 /nfs/dbraw/zinc/19/12/57/588191257.db2.gz FBRKNFXRIGGRMT-VXGBXAGGSA-N 0 3 240.347 1.255 20 30 BDEDHN C=C(C)CONC(=O)NC[C@@H]1CCCN1CC ZINC000845598908 588234882 /nfs/dbraw/zinc/23/48/82/588234882.db2.gz WCKNWGGAAWLJKA-NSHDSACASA-N 0 3 241.335 1.278 20 30 BDEDHN C=C[C@@H](C)ONC(=O)N(C)C[C@H]1CCCN1C ZINC000845618200 588236752 /nfs/dbraw/zinc/23/67/52/588236752.db2.gz GWQLKSJPCIPGQR-GHMZBOCLSA-N 0 3 241.335 1.228 20 30 BDEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000845629819 588238233 /nfs/dbraw/zinc/23/82/33/588238233.db2.gz GEISKDBBAWFRQA-OUAUKWLOSA-N 0 3 241.335 1.274 20 30 BDEDHN C=C[C@H](C)ONC(=O)N(C)CCN1CCCC1 ZINC000845631722 588238380 /nfs/dbraw/zinc/23/83/80/588238380.db2.gz FULLZNCSSIPHMG-NSHDSACASA-N 0 3 241.335 1.230 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](CO)[C@H](C)CCC ZINC000846361318 588264991 /nfs/dbraw/zinc/26/49/91/588264991.db2.gz PQTOSWZCDKFVRM-PWSUYJOCSA-N 0 3 242.363 1.018 20 30 BDEDHN C=C[C@@H](C)ONC(=O)CCN(C)c1ccncc1 ZINC000846548321 588274842 /nfs/dbraw/zinc/27/48/42/588274842.db2.gz IXDARMNJSKVKEP-LLVKDONJSA-N 0 3 249.314 1.530 20 30 BDEDHN C=C[C@H](C)ONC(=O)c1ccc(CN(C)C)cc1 ZINC000846551516 588275828 /nfs/dbraw/zinc/27/58/28/588275828.db2.gz TWEZOQNZCZFDPD-NSHDSACASA-N 0 3 248.326 1.984 20 30 BDEDHN C=C[C@H](C)O[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC000846555102 588276828 /nfs/dbraw/zinc/27/68/28/588276828.db2.gz OBOMHRABMPUUPJ-JTQLQIEISA-N 0 3 238.331 1.483 20 30 BDEDHN C=C[C@@H](C)O[N-]C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000846663183 588281433 /nfs/dbraw/zinc/28/14/33/588281433.db2.gz PKRNYLWQVRAUKU-VXGBXAGGSA-N 0 3 240.347 1.873 20 30 BDEDHN C=C[C@@H](C)O[N-]C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000846663183 588281434 /nfs/dbraw/zinc/28/14/34/588281434.db2.gz PKRNYLWQVRAUKU-VXGBXAGGSA-N 0 3 240.347 1.873 20 30 BDEDHN C#C[C@H](C)N(C)Cc1ccc2nonc2c1 ZINC000846880593 588295129 /nfs/dbraw/zinc/29/51/29/588295129.db2.gz WCJLPUMOQDIGII-VIFPVBQESA-N 0 3 215.256 1.676 20 30 BDEDHN C#C[C@@H]1CCCN(CCOC2CCC2)C1 ZINC000847019561 588301534 /nfs/dbraw/zinc/30/15/34/588301534.db2.gz RMFFQRFPQLJJOZ-GFCCVEGCSA-N 0 3 207.317 1.901 20 30 BDEDHN C#C[C@H]1CCCN(CCCN2CCCC2=O)C1 ZINC000847024828 588303479 /nfs/dbraw/zinc/30/34/79/588303479.db2.gz TUYICJUQFVEVTG-ZDUSSCGKSA-N 0 3 234.343 1.344 20 30 BDEDHN C#C[C@H]1CCCN(CCc2ccccn2)C1 ZINC000847028655 588304156 /nfs/dbraw/zinc/30/41/56/588304156.db2.gz JWRKJNSOSMGSKE-ZDUSSCGKSA-N 0 3 214.312 1.969 20 30 BDEDHN CCCN(CC(=O)NCCC#N)C(C)C ZINC000847034316 588304375 /nfs/dbraw/zinc/30/43/75/588304375.db2.gz SLCVZLXQPZNGCI-UHFFFAOYSA-N 0 3 211.309 1.137 20 30 BDEDHN CC(C)C#CC(=O)NC1(CN(C)C)CCC1 ZINC000847112273 588306611 /nfs/dbraw/zinc/30/66/11/588306611.db2.gz BEKJWOJOCWCVPP-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000847297250 588310332 /nfs/dbraw/zinc/31/03/32/588310332.db2.gz GDSSLLRNVYFUAG-STQMWFEESA-N 0 3 249.358 1.135 20 30 BDEDHN C#CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847444989 588313882 /nfs/dbraw/zinc/31/38/82/588313882.db2.gz NTELNXXOFBXCQI-STQMWFEESA-N 0 3 249.358 1.326 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)CCCCC#N ZINC000847488746 588314310 /nfs/dbraw/zinc/31/43/10/588314310.db2.gz DLDBVMJCJKTXQD-GFCCVEGCSA-N 0 3 239.363 1.773 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000848277100 588369406 /nfs/dbraw/zinc/36/94/06/588369406.db2.gz NLFXBTNSEZNKAB-STQMWFEESA-N 0 3 234.343 1.200 20 30 BDEDHN CN(C)C(=NCCC#N)NCc1ccccc1 ZINC000849023246 588439524 /nfs/dbraw/zinc/43/95/24/588439524.db2.gz BJDWHGPMJSXYBJ-UHFFFAOYSA-N 0 3 230.315 1.607 20 30 BDEDHN C=C(Cl)CN[C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000850147126 588521681 /nfs/dbraw/zinc/52/16/81/588521681.db2.gz WCUDBIJCWCFQBM-HRDYMLBCSA-N 0 3 217.696 1.526 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CNC/C=C\CO)cc1 ZINC000850357266 588538461 /nfs/dbraw/zinc/53/84/61/588538461.db2.gz CUUSYYGBRJHSOS-DLGQBQFBSA-N 0 3 246.310 1.616 20 30 BDEDHN C=CCCNCc1cccc(S(C)(=O)=O)c1 ZINC000850354386 588538526 /nfs/dbraw/zinc/53/85/26/588538526.db2.gz FQUCVDPQTAARPT-UHFFFAOYSA-N 0 3 239.340 1.756 20 30 BDEDHN C=C[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000850410460 588544241 /nfs/dbraw/zinc/54/42/41/588544241.db2.gz MNRNHSUVTKRRMI-GEXIGZQTSA-N 0 3 246.354 1.902 20 30 BDEDHN CON(C)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000850479072 588550465 /nfs/dbraw/zinc/55/04/65/588550465.db2.gz LCUJEFJZRDSCLO-NSHDSACASA-N 0 3 233.315 1.702 20 30 BDEDHN C#CCOc1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000850507751 588554074 /nfs/dbraw/zinc/55/40/74/588554074.db2.gz HPMQFLUBRILYMU-DSYXLKISSA-N 0 3 245.322 1.898 20 30 BDEDHN C[C@H](CC#N)C(=O)OC[C@H](C)N1CCCCC1 ZINC000851117452 588591850 /nfs/dbraw/zinc/59/18/50/588591850.db2.gz SFMUJNRSHJRTLA-NEPJUHHUSA-N 0 3 238.331 1.954 20 30 BDEDHN C#CCOCCN1CCC[C@H](OCC)C1 ZINC000851777991 588627130 /nfs/dbraw/zinc/62/71/30/588627130.db2.gz BLLVIWHCCUCOIF-LBPRGKRZSA-N 0 3 211.305 1.137 20 30 BDEDHN C#CCOCCN1CCS[C@@H](CC)C1 ZINC000851791906 588629328 /nfs/dbraw/zinc/62/93/28/588629328.db2.gz IINWNXFYBMDYHL-NSHDSACASA-N 0 3 213.346 1.464 20 30 BDEDHN C#CCOCCN1CCC(n2ccnc2)CC1 ZINC000851802691 588630916 /nfs/dbraw/zinc/63/09/16/588630916.db2.gz KFPHZCFFWRMMMH-UHFFFAOYSA-N 0 3 233.315 1.170 20 30 BDEDHN C#CCOCCN1CC[C@H](OCC(C)C)C1 ZINC000851808021 588631642 /nfs/dbraw/zinc/63/16/42/588631642.db2.gz FDEJUCLKYVEQEM-ZDUSSCGKSA-N 0 3 225.332 1.383 20 30 BDEDHN C#CCOCCN1CCC[C@@H]1c1cccn1C ZINC000851820055 588633450 /nfs/dbraw/zinc/63/34/50/588633450.db2.gz PKBKTRCSDHHEPI-CQSZACIVSA-N 0 3 232.327 1.812 20 30 BDEDHN C#CCCN1CCN([C@H]2CC[C@@H](OC)C2)CC1 ZINC000851872755 588637508 /nfs/dbraw/zinc/63/75/08/588637508.db2.gz LISVLVLTEPBQHD-UONOGXRCSA-N 0 3 236.359 1.195 20 30 BDEDHN C#CCOCCN1C[C@H](C)N(CC)C[C@H]1C ZINC000851883839 588639782 /nfs/dbraw/zinc/63/97/82/588639782.db2.gz JYSZTIHOZSOVDO-QWHCGFSZSA-N 0 3 224.348 1.051 20 30 BDEDHN C#CCOCCN[C@@H](CCCO)c1ccccc1 ZINC000851903689 588642014 /nfs/dbraw/zinc/64/20/14/588642014.db2.gz QWGHVJNOONKJRI-HNNXBMFYSA-N 0 3 247.338 1.740 20 30 BDEDHN C#C[C@H](NC[C@H](OC)C1CCC1)[C@@H]1CCCO1 ZINC000851950336 588646934 /nfs/dbraw/zinc/64/69/34/588646934.db2.gz NRZIJKPTUHHJHD-IHRRRGAJSA-N 0 3 237.343 1.572 20 30 BDEDHN C=CCN(C)CCn1cnc(Br)n1 ZINC000851955393 588647292 /nfs/dbraw/zinc/64/72/92/588647292.db2.gz VOURUQPUPGGYHJ-UHFFFAOYSA-N 0 3 245.124 1.158 20 30 BDEDHN C#CCOCCN1CCC[C@@](CC)(CO)C1 ZINC000851957165 588648120 /nfs/dbraw/zinc/64/81/20/588648120.db2.gz KQKLNMLGEHYJRI-CYBMUJFWSA-N 0 3 225.332 1.121 20 30 BDEDHN C=CCN(CCOC)CC[C@@H]1COC(C)(C)O1 ZINC000851979822 588650870 /nfs/dbraw/zinc/65/08/70/588650870.db2.gz JLXUENAHMNDARO-GFCCVEGCSA-N 0 3 243.347 1.662 20 30 BDEDHN C#CCOCCN1CCOC[C@H](C2CCC2)C1 ZINC000852078036 588660399 /nfs/dbraw/zinc/66/03/99/588660399.db2.gz JCDBLFJNDSNKAN-CQSZACIVSA-N 0 3 237.343 1.385 20 30 BDEDHN C#C[C@](C)(CC)NCCC(=O)Nc1cccnc1 ZINC000852103647 588663849 /nfs/dbraw/zinc/66/38/49/588663849.db2.gz NNFYLCIPTHNUQZ-CQSZACIVSA-N 0 3 245.326 1.802 20 30 BDEDHN C#CCOCCN1C[C@H](C)OC2(CCCC2)C1 ZINC000852209006 588672384 /nfs/dbraw/zinc/67/23/84/588672384.db2.gz MEQJUEWQPFDWDG-ZDUSSCGKSA-N 0 3 237.343 1.670 20 30 BDEDHN C#CCCN(C)[C@@H](CO)Cc1ccccc1 ZINC000852288469 588675700 /nfs/dbraw/zinc/67/57/00/588675700.db2.gz NWLNXKHSOGLNFT-CQSZACIVSA-N 0 3 217.312 1.545 20 30 BDEDHN CC1(C)OC[C@@H](CN2CCC[C@@H](CC#N)C2)O1 ZINC000852321403 588678195 /nfs/dbraw/zinc/67/81/95/588678195.db2.gz UWGHCJWBCKRKBU-NWDGAFQWSA-N 0 3 238.331 1.764 20 30 BDEDHN C=CCN(CCC(=O)CC)[C@H](C)COC ZINC000852356378 588679637 /nfs/dbraw/zinc/67/96/37/588679637.db2.gz CPTQTSKKKKRKHG-LLVKDONJSA-N 0 3 213.321 1.879 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCC(C2CCC2)CC1 ZINC000852408324 588680852 /nfs/dbraw/zinc/68/08/52/588680852.db2.gz ULHSQUWLUBGUCB-LBPRGKRZSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852434559 588682436 /nfs/dbraw/zinc/68/24/36/588682436.db2.gz ZKFPXXJTSGLQNZ-SNVBAGLBSA-N 0 3 210.277 1.089 20 30 BDEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C ZINC000110717724 588691959 /nfs/dbraw/zinc/69/19/59/588691959.db2.gz SKBLBIMQCSGDRX-GFCCVEGCSA-N 0 3 229.327 1.694 20 30 BDEDHN C#CCNC(=O)CN(C)CCCC(CC)CC ZINC000852670997 588695060 /nfs/dbraw/zinc/69/50/60/588695060.db2.gz CDDNGOQJJFYKOK-UHFFFAOYSA-N 0 3 238.375 1.884 20 30 BDEDHN C#CCCN(CCOC)CCC1(O)CCC1 ZINC000852750195 588696924 /nfs/dbraw/zinc/69/69/24/588696924.db2.gz NHKGXQNEOXOYAE-UHFFFAOYSA-N 0 3 225.332 1.263 20 30 BDEDHN C=C[C@H](CO)NC[C@@H](O)c1cccc(Cl)c1 ZINC000852714430 588697441 /nfs/dbraw/zinc/69/74/41/588697441.db2.gz PCWQSEYZUFPAFI-VXGBXAGGSA-N 0 3 241.718 1.510 20 30 BDEDHN C#CCCN(CCOC)CCC(=O)CC ZINC000852748524 588699709 /nfs/dbraw/zinc/69/97/09/588699709.db2.gz CIDYRRHVCQQDDS-UHFFFAOYSA-N 0 3 211.305 1.327 20 30 BDEDHN COC(=O)NC1CCN([C@@H](C)CCC#N)CC1 ZINC000852765046 588701024 /nfs/dbraw/zinc/70/10/24/588701024.db2.gz OHVPOKKEYRCEJD-JTQLQIEISA-N 0 3 239.319 1.499 20 30 BDEDHN C=CCCSCCNC(=O)[C@@]1(F)CCNC1 ZINC000852846316 588708085 /nfs/dbraw/zinc/70/80/85/588708085.db2.gz UWQFJIXYFIDZHV-LLVKDONJSA-N 0 3 246.351 1.114 20 30 BDEDHN C=CCCCC(=O)Nc1nn(C)c(C)c1CN ZINC000852899929 588712211 /nfs/dbraw/zinc/71/22/11/588712211.db2.gz OSKITSGQOZDZJY-UHFFFAOYSA-N 0 3 236.319 1.482 20 30 BDEDHN C=CCC1(NC(=O)[C@]2(F)CCNC2)CCCC1 ZINC000852912400 588712757 /nfs/dbraw/zinc/71/27/57/588712757.db2.gz KITJTBLQFFTIFX-ZDUSSCGKSA-N 0 3 240.322 1.693 20 30 BDEDHN CCCCCCN(C)CC(=O)NCC#N ZINC000118324941 589167810 /nfs/dbraw/zinc/16/78/10/589167810.db2.gz WNIKTRBFNLJZFJ-UHFFFAOYSA-N 0 3 211.309 1.138 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000862444587 589213881 /nfs/dbraw/zinc/21/38/81/589213881.db2.gz CROSCZNHNUVTMN-LBPRGKRZSA-N 0 3 240.310 1.575 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cnn(CCOC)c2)C1 ZINC000862444629 589214397 /nfs/dbraw/zinc/21/43/97/589214397.db2.gz DSPJXSNXRNJPEZ-ZDUSSCGKSA-N 0 3 247.342 1.375 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cccc(OC)n2)C1 ZINC000862444903 589214589 /nfs/dbraw/zinc/21/45/89/589214589.db2.gz IOMVKBRVPXBJLK-LBPRGKRZSA-N 0 3 230.311 1.935 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2cnn(CC)c2)C1 ZINC000862445658 589214731 /nfs/dbraw/zinc/21/47/31/589214731.db2.gz ZAZATGXDCHMCBD-GFCCVEGCSA-N 0 3 217.316 1.748 20 30 BDEDHN CCON(CC)C(=O)CN[C@@H]1CC[C@@H](C#N)C1 ZINC000862453810 589215802 /nfs/dbraw/zinc/21/58/02/589215802.db2.gz NRKWKKGGTJNWLF-GHMZBOCLSA-N 0 3 239.319 1.068 20 30 BDEDHN C=CC[C@@H]1CCN(C(=O)C(=C)CN(C)C)C1 ZINC000862545525 589219868 /nfs/dbraw/zinc/21/98/68/589219868.db2.gz WDAOEFNDBBDJAE-GFCCVEGCSA-N 0 3 222.332 1.529 20 30 BDEDHN C#CC[C@H](COC)N[C@@H]1CCC[C@H](C#N)C1 ZINC000862548345 589219958 /nfs/dbraw/zinc/21/99/58/589219958.db2.gz CYMPZPZISNPYJL-YNEHKIRRSA-N 0 3 220.316 1.697 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000862571874 589224076 /nfs/dbraw/zinc/22/40/76/589224076.db2.gz WJTYROFGAUIVJW-LBPRGKRZSA-N 0 3 234.343 1.343 20 30 BDEDHN CCC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N)cc1 ZINC000863121069 589260643 /nfs/dbraw/zinc/26/06/43/589260643.db2.gz YMRGUWSNKNIXJZ-ZIAGYGMSSA-N 0 3 247.342 1.886 20 30 BDEDHN CN(C)c1ccc(C=NNCC(C)(C)O)cc1 ZINC000863140226 589262825 /nfs/dbraw/zinc/26/28/25/589262825.db2.gz FXMORROPSCACQQ-UHFFFAOYSA-N 0 3 235.331 1.447 20 30 BDEDHN Cc1cnccc1N=NC1C[C@@H](C)N(C)C1 ZINC000863157958 589263681 /nfs/dbraw/zinc/26/36/81/589263681.db2.gz WTQUDEWDFHGERJ-SNVBAGLBSA-N 0 3 218.304 1.304 20 30 BDEDHN Cc1cnccc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000863157771 589263872 /nfs/dbraw/zinc/26/38/72/589263872.db2.gz SQHABJGUCGVGFQ-NSHDSACASA-N 0 3 244.342 1.694 20 30 BDEDHN Cc1cc(NN=C2CCn3ccnc32)ccn1 ZINC000863159104 589264165 /nfs/dbraw/zinc/26/41/65/589264165.db2.gz CSFGIMJEHTVOIA-UHFFFAOYSA-N 0 3 227.271 1.228 20 30 BDEDHN Cc1cc(N=NC2C[C@@H](C)N(C)C2)ccn1 ZINC000863159473 589264228 /nfs/dbraw/zinc/26/42/28/589264228.db2.gz STAZFUSGJYXAFZ-SNVBAGLBSA-N 0 3 218.304 1.304 20 30 BDEDHN CCn1cc(C=NNc2ccnc(C)c2)cn1 ZINC000863158991 589264257 /nfs/dbraw/zinc/26/42/57/589264257.db2.gz YRFFJQHTJSSCCK-UHFFFAOYSA-N 0 3 229.287 1.474 20 30 BDEDHN N#CC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000120317652 589401672 /nfs/dbraw/zinc/40/16/72/589401672.db2.gz YXWVQEHPIJXBDU-LLVKDONJSA-N 0 3 222.288 1.175 20 30 BDEDHN CCCN1CC[C@@H](NC(=O)c2coc(C#N)c2)C1 ZINC000869284506 589596358 /nfs/dbraw/zinc/59/63/58/589596358.db2.gz GJFKHSSRHDSJTC-LLVKDONJSA-N 0 3 247.298 1.365 20 30 BDEDHN C#CCN1CCC(C(=O)NCC(C)(C)F)CC1 ZINC000869628611 589618176 /nfs/dbraw/zinc/61/81/76/589618176.db2.gz ZMXDLSNKYIVKST-UHFFFAOYSA-N 0 3 240.322 1.196 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000870141550 589645912 /nfs/dbraw/zinc/64/59/12/589645912.db2.gz ZZQFOFVASALMRL-PREPNJAASA-N 0 3 246.310 1.290 20 30 BDEDHN C#C[C@@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000123132263 589665447 /nfs/dbraw/zinc/66/54/47/589665447.db2.gz JGRDKWWNXLZRIC-GHMZBOCLSA-N 0 3 238.331 1.607 20 30 BDEDHN CC(C)[C@@H](CN(C)C)OC(=O)[C@@H](C)CC#N ZINC000870564213 589676442 /nfs/dbraw/zinc/67/64/42/589676442.db2.gz HCDUJTDBWAJJCX-WDEREUQCSA-N 0 3 226.320 1.666 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000870671743 589682299 /nfs/dbraw/zinc/68/22/99/589682299.db2.gz QQXVAGBHGXMHMW-NEPJUHHUSA-N 0 3 235.331 1.255 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@H](OC)CC[C@H]1C ZINC000870726884 589687271 /nfs/dbraw/zinc/68/72/71/589687271.db2.gz YXYHZNGNXGEWKZ-VXGBXAGGSA-N 0 3 240.347 1.130 20 30 BDEDHN C=CCCCC(=O)N1CCNCCC1(C)C 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0 3 242.322 1.402 20 30 BDEDHN C=CCN(C)C[C@@H](O)COCC(C)C ZINC000494624760 527575739 /nfs/dbraw/zinc/57/57/39/527575739.db2.gz HVXRXFSBVIGXFN-LLVKDONJSA-N 0 3 201.310 1.138 20 30 BDEDHN CC(C)[C@H]1CN(c2cccc(C#N)n2)CCN1C ZINC000487058561 527861616 /nfs/dbraw/zinc/86/16/16/527861616.db2.gz HRDKNZVNSUNAHM-CYBMUJFWSA-N 0 3 244.342 1.730 20 30 BDEDHN CCCN1CCC[C@H]1C(=O)NCCCCC#N ZINC000505512383 528229508 /nfs/dbraw/zinc/22/95/08/528229508.db2.gz KHIJLABYHWRGFZ-LBPRGKRZSA-N 0 3 237.347 1.671 20 30 BDEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCC1 ZINC000173613986 528616518 /nfs/dbraw/zinc/61/65/18/528616518.db2.gz AOUAMEWIMCTNIS-NSHDSACASA-N 0 3 237.347 1.479 20 30 BDEDHN CC1(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329545135 535098333 /nfs/dbraw/zinc/09/83/33/535098333.db2.gz GKXSETVCMJNXMV-SECBINFHSA-N 0 3 248.330 1.571 20 30 BDEDHN CC1(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329545135 535098343 /nfs/dbraw/zinc/09/83/43/535098343.db2.gz GKXSETVCMJNXMV-SECBINFHSA-N 0 3 248.330 1.571 20 30 BDEDHN CC(C)[C@H]1CN(C)CCN1c1ccc(C#N)cn1 ZINC000301332563 535236091 /nfs/dbraw/zinc/23/60/91/535236091.db2.gz AVAJHDONHMTITO-CYBMUJFWSA-N 0 3 244.342 1.730 20 30 BDEDHN CCOCCC1(CNC(=O)C(C)C#N)CCC1 ZINC000361705866 535481306 /nfs/dbraw/zinc/48/13/06/535481306.db2.gz NNUYVXDGDNDALK-NSHDSACASA-N 0 3 238.331 1.859 20 30 BDEDHN COCCO[C@@H]1CCCN(CCCC#N)C1 ZINC000179296550 536557286 /nfs/dbraw/zinc/55/72/86/536557286.db2.gz BPYXNEHMYFDNTC-GFCCVEGCSA-N 0 3 226.320 1.418 20 30 BDEDHN COC1([C@H](C)NC(=O)C(C)C#N)CCC1 ZINC000332056939 536711946 /nfs/dbraw/zinc/71/19/46/536711946.db2.gz NUGYWMQZSPDGRX-BDAKNGLRSA-N 0 3 210.277 1.220 20 30 BDEDHN COCC1(C#N)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339168789 536801601 /nfs/dbraw/zinc/80/16/01/536801601.db2.gz CXECRNLDFYFDRS-OLZOCXBDSA-N 0 3 247.342 1.931 20 30 BDEDHN COC(=O)c1cc(CNCCCC#N)cn1C ZINC000348256988 536885556 /nfs/dbraw/zinc/88/55/56/536885556.db2.gz ZGHHGOMNEVJMKP-UHFFFAOYSA-N 0 3 235.287 1.205 20 30 BDEDHN C=CC[C@@H](CO)CNCc1ccc(OCC)o1 ZINC000893285696 583085883 /nfs/dbraw/zinc/08/58/83/583085883.db2.gz ZBBILZVWUWDCQT-LLVKDONJSA-N 0 3 239.315 1.953 20 30 BDEDHN C=CCCOCCNC[C@H](O)c1ccccn1 ZINC000853104059 588720344 /nfs/dbraw/zinc/72/03/44/588720344.db2.gz QQISCCJQQWFBLH-ZDUSSCGKSA-N 0 3 236.315 1.297 20 30 BDEDHN C[C@H]1CNC(NN=C2CCCSCC2)=N1 ZINC000853330676 588733959 /nfs/dbraw/zinc/73/39/59/588733959.db2.gz SKVGGHUTUIRSMJ-QMMMGPOBSA-N 0 3 226.349 1.197 20 30 BDEDHN C#Cc1cccnc1N[C@@H](C)CN(C)C ZINC000853625209 588750835 /nfs/dbraw/zinc/75/08/35/588750835.db2.gz VEPIDSQDQVEGJY-JTQLQIEISA-N 0 3 203.289 1.425 20 30 BDEDHN C#Cc1cnc(NC[C@@H]2CCN2C(C)(C)C)nc1 ZINC000853748688 588761021 /nfs/dbraw/zinc/76/10/21/588761021.db2.gz QTCUZGWLJMJBHZ-LBPRGKRZSA-N 0 3 244.342 1.743 20 30 BDEDHN Cc1cc(N2CCC[C@H](CC#N)C2)nc(N)n1 ZINC000853761638 588762076 /nfs/dbraw/zinc/76/20/76/588762076.db2.gz PQKSKBXMLLRBAF-SNVBAGLBSA-N 0 3 231.303 1.497 20 30 BDEDHN Cc1cc(N2CCC[C@@H](CC#N)C2)nc(N)n1 ZINC000853761632 588762176 /nfs/dbraw/zinc/76/21/76/588762176.db2.gz PQKSKBXMLLRBAF-JTQLQIEISA-N 0 3 231.303 1.497 20 30 BDEDHN CCCCCCN(C)CC(=O)N[C@@H](C)CC#N ZINC000111587082 588762906 /nfs/dbraw/zinc/76/29/06/588762906.db2.gz QCHAPTCHCJSFND-LBPRGKRZSA-N 0 3 239.363 1.917 20 30 BDEDHN C#CCNC(=O)CN1CCC(C)(CC)CC1 ZINC000112014329 588780371 /nfs/dbraw/zinc/78/03/71/588780371.db2.gz IAOROXKCCQRLAM-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN CCN1CCC[C@H]1CNC(=O)C#CC(C)C ZINC000854297191 588783207 /nfs/dbraw/zinc/78/32/07/588783207.db2.gz OVYCVMQWYOWHSS-LBPRGKRZSA-N 0 3 222.332 1.246 20 30 BDEDHN C#C[C@@](C)(CC)NC(=O)CN(C)C(C)C ZINC000854697104 588802577 /nfs/dbraw/zinc/80/25/77/588802577.db2.gz UOVSZJNMNANTKP-LBPRGKRZSA-N 0 3 210.321 1.245 20 30 BDEDHN C#C[C@](C)(CC)NC(=O)CN(C)CCC ZINC000854696595 588802627 /nfs/dbraw/zinc/80/26/27/588802627.db2.gz IIPSREULQGUHTD-GFCCVEGCSA-N 0 3 210.321 1.246 20 30 BDEDHN C#C[C@@](C)(CC)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000854697871 588802779 /nfs/dbraw/zinc/80/27/79/588802779.db2.gz MVRYWOMPFQNNKM-SCRDCRAPSA-N 0 3 236.359 1.777 20 30 BDEDHN C=CC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC000890547932 582469839 /nfs/dbraw/zinc/46/98/39/582469839.db2.gz GZSHRFZPUDIFDF-WDEREUQCSA-N 0 3 208.305 1.258 20 30 BDEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855360796 588829144 /nfs/dbraw/zinc/82/91/44/588829144.db2.gz OKIUINCISILIOO-LBPRGKRZSA-N 0 3 222.332 1.343 20 30 BDEDHN CC[C@H](O)CNN=C(C)c1ccc(N(C)C)cc1 ZINC000811653817 582483773 /nfs/dbraw/zinc/48/37/73/582483773.db2.gz OZNGJJOXQPHDDO-AWEZNQCLSA-N 0 3 249.358 1.837 20 30 BDEDHN C#C[C@@H](CC)NC(=O)NCCN1CCCCC1 ZINC000811657586 582485794 /nfs/dbraw/zinc/48/57/94/582485794.db2.gz BDMCSJYEWXOZAE-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN C[C@@H](CCO)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844445769 582587811 /nfs/dbraw/zinc/58/78/11/582587811.db2.gz DJGKHFYHSSWJRC-SMDDNHRTSA-N 0 3 248.326 1.294 20 30 BDEDHN C#CCCCNC(=O)N1CCNCCC12CCC2 ZINC000891847536 582729002 /nfs/dbraw/zinc/72/90/02/582729002.db2.gz BDEKIYUSIIMKIS-UHFFFAOYSA-N 0 3 249.358 1.327 20 30 BDEDHN CC(C#N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000855786436 588848011 /nfs/dbraw/zinc/84/80/11/588848011.db2.gz XPGUNBAGGGHOLQ-MRTMQBJTSA-N 0 3 244.241 1.077 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@H]1CCOC1(C)C ZINC000856262486 588865663 /nfs/dbraw/zinc/86/56/63/588865663.db2.gz UOFKFNRFKSLZSJ-LLVKDONJSA-N 0 3 240.347 1.036 20 30 BDEDHN C#CCCCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000856489389 588873811 /nfs/dbraw/zinc/87/38/11/588873811.db2.gz NMZNNFCGBUKCJH-LBPRGKRZSA-N 0 3 222.332 1.246 20 30 BDEDHN C=CC[C@@H](CO)CNCc1ccc(OC)o1 ZINC000893282505 583084536 /nfs/dbraw/zinc/08/45/36/583084536.db2.gz DSGWAFISPMPRMD-SNVBAGLBSA-N 0 3 225.288 1.562 20 30 BDEDHN C#CCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893302760 583094645 /nfs/dbraw/zinc/09/46/45/583094645.db2.gz HJKMSYUJTFJIML-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C=C(C)[C@@H]1CCC(C)=C(N=NC2=NCCN2)C1 ZINC000841661330 583166262 /nfs/dbraw/zinc/16/62/62/583166262.db2.gz MFAHHBXXTRJWOH-LLVKDONJSA-N 0 3 232.331 1.824 20 30 BDEDHN Cc1nc(N2CC[C@H]3CN(C)C[C@H]32)ccc1C#N ZINC000893939565 583255139 /nfs/dbraw/zinc/25/51/39/583255139.db2.gz IVEXHAKLBWWWGH-QWHCGFSZSA-N 0 3 242.326 1.402 20 30 BDEDHN C=CC(C)(C)CNc1nc(C)cc(N)n1 ZINC000894059812 583291685 /nfs/dbraw/zinc/29/16/85/583291685.db2.gz ZLZGQBWJUINOKM-UHFFFAOYSA-N 0 3 206.293 1.991 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1Nc1nc(C)cc(N)n1 ZINC000894067278 583293203 /nfs/dbraw/zinc/29/32/03/583293203.db2.gz KCYVPCMBIXXWQU-BDAKNGLRSA-N 0 3 220.276 1.123 20 30 BDEDHN C=CC[C@H](C(=O)OC)N(CC)C[C@H]1CCOC1 ZINC000877973536 583355367 /nfs/dbraw/zinc/35/53/67/583355367.db2.gz SOPKNOCGEZGZDE-VXGBXAGGSA-N 0 3 241.331 1.463 20 30 BDEDHN N#CCCCOc1cccc(C=NNC(=N)N)c1 ZINC000726737410 583370938 /nfs/dbraw/zinc/37/09/38/583370938.db2.gz FSECKPKTOCROQQ-UHFFFAOYSA-N 0 3 245.286 1.186 20 30 BDEDHN C=CC[C@@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000878690075 583394194 /nfs/dbraw/zinc/39/41/94/583394194.db2.gz LWRAHYYHJARGFS-NEPJUHHUSA-N 0 3 239.363 1.687 20 30 BDEDHN CC#CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000894272070 583403492 /nfs/dbraw/zinc/40/34/92/583403492.db2.gz PTCOHMNGJLJDFI-STQMWFEESA-N 0 3 249.358 1.278 20 30 BDEDHN C=CC[C@@H](CO)CNCc1c(C)ccnc1N ZINC000894369970 583440188 /nfs/dbraw/zinc/44/01/88/583440188.db2.gz FGXAJWXMASWMMD-LLVKDONJSA-N 0 3 235.331 1.246 20 30 BDEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OC)c1O ZINC000894387550 583444670 /nfs/dbraw/zinc/44/46/70/583444670.db2.gz PNHHKBLNJBTBAM-NSHDSACASA-N 0 3 249.310 1.911 20 30 BDEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc[nH]1 ZINC000857236401 588899770 /nfs/dbraw/zinc/89/97/70/588899770.db2.gz DFMQKQNSTDVFNO-WDEREUQCSA-N 0 3 235.331 1.966 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC(CC2CC2)C1 ZINC000857737952 588907171 /nfs/dbraw/zinc/90/71/71/588907171.db2.gz IADQUNRNSACWQD-UHFFFAOYSA-N 0 3 222.332 1.363 20 30 BDEDHN C#C[C@@H](CC)NCc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894737529 583514619 /nfs/dbraw/zinc/51/46/19/583514619.db2.gz BLRJDBRWVXMPKI-JTQLQIEISA-N 0 3 248.326 1.865 20 30 BDEDHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000894774771 583517872 /nfs/dbraw/zinc/51/78/72/583517872.db2.gz XCSQGWLJHBSART-GDPRMGEGSA-N 0 3 233.319 1.846 20 30 BDEDHN C#Cc1cccc(CN[C@H](C)COC(C)=O)c1 ZINC000894775452 583518530 /nfs/dbraw/zinc/51/85/30/583518530.db2.gz MFUADCOJXGIHAK-LLVKDONJSA-N 0 3 231.295 1.709 20 30 BDEDHN N#Cc1cc(CNC[C@H]2COCO2)cs1 ZINC000894890469 583547839 /nfs/dbraw/zinc/54/78/39/583547839.db2.gz SGDJJMMLODEDHK-VIFPVBQESA-N 0 3 224.285 1.082 20 30 BDEDHN COCCON=C1CCN(C)[C@@H](C)C1 ZINC000748789007 583549387 /nfs/dbraw/zinc/54/93/87/583549387.db2.gz BUNJQWDOLFIZPS-VIFPVBQESA-N 0 3 200.282 1.120 20 30 BDEDHN C[C@H]1CNC(NN=C[C@]2(C)CCCS2)=N1 ZINC000793039978 583551176 /nfs/dbraw/zinc/55/11/76/583551176.db2.gz RLGPJIDCROLJLJ-WPRPVWTQSA-N 0 3 226.349 1.195 20 30 BDEDHN C#C[C@H]1CC[C@H](Nc2nc(C)cc(N)n2)CC1 ZINC000895092307 583587033 /nfs/dbraw/zinc/58/70/33/583587033.db2.gz PGAUVICIUSGJEM-XYPYZODXSA-N 0 3 230.315 1.971 20 30 BDEDHN C=C(C)CCNC(=O)NCCN1CC[C@@H](C)C1 ZINC000895146649 583604797 /nfs/dbraw/zinc/60/47/97/583604797.db2.gz HUPUYFSNWQDYFY-GFCCVEGCSA-N 0 3 239.363 1.594 20 30 BDEDHN C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159471 583608356 /nfs/dbraw/zinc/60/83/56/583608356.db2.gz GICHBHHCUKHKJR-WOPDTQHZSA-N 0 3 240.347 1.783 20 30 BDEDHN C#CCCCCCC[NH2+][C@H]1CCCN([O-])C1=O ZINC000895158655 583608375 /nfs/dbraw/zinc/60/83/75/583608375.db2.gz LUPYHUHXLDGUQL-LBPRGKRZSA-N 0 3 238.331 1.540 20 30 BDEDHN C=CCC[C@H](CC)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158964 583608841 /nfs/dbraw/zinc/60/88/41/583608841.db2.gz AHPCAZNNYOCDHH-WDEREUQCSA-N 0 3 226.320 1.701 20 30 BDEDHN C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895160194 583609063 /nfs/dbraw/zinc/60/90/63/583609063.db2.gz KTBDVVAEGGONQR-IJLUTSLNSA-N 0 3 240.347 1.783 20 30 BDEDHN CC[C@H](C)C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158946 583609267 /nfs/dbraw/zinc/60/92/67/583609267.db2.gz ADOOUAHGXFKMSQ-DTWKUNHWSA-N 0 3 200.282 1.002 20 30 BDEDHN CCCC[C@@H](CC)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159256 583609293 /nfs/dbraw/zinc/60/92/93/583609293.db2.gz CKDKSDHZAHCYEE-MNOVXSKESA-N 0 3 228.336 1.925 20 30 BDEDHN CC(C)C[C@H](C)C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160693 583609860 /nfs/dbraw/zinc/60/98/60/583609860.db2.gz OPBMIGCOLOSOCY-QWRGUYRKSA-N 0 3 228.336 1.638 20 30 BDEDHN CCC(CC)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160417 583610042 /nfs/dbraw/zinc/61/00/42/583610042.db2.gz MWYCVIGETYXXIQ-VIFPVBQESA-N 0 3 200.282 1.145 20 30 BDEDHN O=C1[C@H]([NH2+]C2CCCCC2)CCCN1[O-] ZINC000895161934 583610478 /nfs/dbraw/zinc/61/04/78/583610478.db2.gz IMVACWRJXIZWMO-SNVBAGLBSA-N 0 3 212.293 1.289 20 30 BDEDHN CC1(C)CCCC[C@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162353 583610830 /nfs/dbraw/zinc/61/08/30/583610830.db2.gz KRJCXIREUZUTLJ-WDEREUQCSA-N 0 3 240.347 1.925 20 30 BDEDHN C=CCOCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857872667 588917948 /nfs/dbraw/zinc/91/79/48/588917948.db2.gz PNSFKKSASNZLBI-GFCCVEGCSA-N 0 3 235.331 1.969 20 30 BDEDHN C=C[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000895340047 583654743 /nfs/dbraw/zinc/65/47/43/583654743.db2.gz FSLLCZWGDUBELX-SNVBAGLBSA-N 0 3 207.273 1.337 20 30 BDEDHN C[C@@H](O)C1(NCc2csc(C#N)c2)CC1 ZINC000895441674 583675484 /nfs/dbraw/zinc/67/54/84/583675484.db2.gz DIDIQGMJACPYGG-MRVPVSSYSA-N 0 3 222.313 1.623 20 30 BDEDHN C#CCOc1ccccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895646274 583698672 /nfs/dbraw/zinc/69/86/72/583698672.db2.gz GEJRPLQCPGGWGV-ZFWWWQNUSA-N 0 3 243.306 1.265 20 30 BDEDHN C#CCC1(O)CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000895670029 583706139 /nfs/dbraw/zinc/70/61/39/583706139.db2.gz JMRJDSCVESSJKD-UHFFFAOYSA-N 0 3 246.310 1.137 20 30 BDEDHN C=CCCNC(=O)N1CCC12CCN(C)CC2 ZINC000895692075 583708014 /nfs/dbraw/zinc/70/80/14/583708014.db2.gz NWJUODACXNJJII-UHFFFAOYSA-N 0 3 237.347 1.442 20 30 BDEDHN C=CCC[C@H](CO)NCc1ccc(C)nn1 ZINC000883138531 583714127 /nfs/dbraw/zinc/71/41/27/583714127.db2.gz HFKQKBCZBVNCLJ-GFCCVEGCSA-N 0 3 221.304 1.202 20 30 BDEDHN COC(OC)[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000895788887 583727810 /nfs/dbraw/zinc/72/78/10/583727810.db2.gz BKHZURYHTOIYAS-ZJUUUORDSA-N 0 3 228.336 1.912 20 30 BDEDHN C#CCN1CCC(Nc2cc(NC)ncn2)CC1 ZINC000895810530 583730129 /nfs/dbraw/zinc/73/01/29/583730129.db2.gz FHGIWIFFYYHWGE-UHFFFAOYSA-N 0 3 245.330 1.028 20 30 BDEDHN C#CCN(CCC[C@H]1CCO1)C1CSC1 ZINC000895813735 583734005 /nfs/dbraw/zinc/73/40/05/583734005.db2.gz FPYUTJJKWXCPPK-LBPRGKRZSA-N 0 3 225.357 1.606 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)cn1 ZINC000896034954 583764465 /nfs/dbraw/zinc/76/44/65/583764465.db2.gz JUCAEGCIBZZULD-LBPRGKRZSA-N 0 3 236.315 1.507 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1ccc(COC)o1 ZINC000883400614 583795975 /nfs/dbraw/zinc/79/59/75/583795975.db2.gz QYEKKECZYVZQCL-NSHDSACASA-N 0 3 239.315 1.843 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000896617828 583817969 /nfs/dbraw/zinc/81/79/69/583817969.db2.gz KMEIICNWKDADPG-XQQFMLRXSA-N 0 3 249.358 1.276 20 30 BDEDHN C=CC(C)(C)CCNCc1cnn(CC)n1 ZINC000858205962 588938629 /nfs/dbraw/zinc/93/86/29/588938629.db2.gz JSEOIQKOTRSUPU-UHFFFAOYSA-N 0 3 222.336 1.990 20 30 BDEDHN C#C[C@@H]1CCCCN1c1ccnc(CO)c1 ZINC000897361023 583938959 /nfs/dbraw/zinc/93/89/59/583938959.db2.gz XBZCWKXLSBTMPC-GFCCVEGCSA-N 0 3 216.284 1.566 20 30 BDEDHN C[C@@H](CCC#N)CNCc1noc2c1COCC2 ZINC000897365666 583942681 /nfs/dbraw/zinc/94/26/81/583942681.db2.gz GZBHOHYSONELPG-JTQLQIEISA-N 0 3 249.314 1.777 20 30 BDEDHN CC(=NNc1ccnc(C)c1)c1ccnn1C ZINC000863159378 583979296 /nfs/dbraw/zinc/97/92/96/583979296.db2.gz OJBPOMDUQPYKHY-UHFFFAOYSA-N 0 3 229.287 1.382 20 30 BDEDHN CCn1nccc1C=NNc1ccnc(C)c1 ZINC000863159421 583979385 /nfs/dbraw/zinc/97/93/85/583979385.db2.gz QMIOHYSTKRQELG-UHFFFAOYSA-N 0 3 229.287 1.474 20 30 BDEDHN C#CC[C@H](CCOC)[NH2+]Cc1nc(C)ccc1[O-] ZINC000858333532 588946286 /nfs/dbraw/zinc/94/62/86/588946286.db2.gz JDVSDLHCXRZVMA-GFCCVEGCSA-N 0 3 248.326 1.614 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cnc(C)nc1 ZINC000858334100 588946323 /nfs/dbraw/zinc/94/63/23/588946323.db2.gz RTGBJQACVROSEH-CYBMUJFWSA-N 0 3 233.315 1.303 20 30 BDEDHN C#CC[C@H](COC)NCc1cc2cnccc2o1 ZINC000858333976 588946369 /nfs/dbraw/zinc/94/63/69/588946369.db2.gz FCJBCDNUGXWURM-GFCCVEGCSA-N 0 3 244.294 1.956 20 30 BDEDHN C=CCN1CCC(NC(=S)NC(C)C)CC1 ZINC000729943013 584030769 /nfs/dbraw/zinc/03/07/69/584030769.db2.gz XGQAPWBWMJYJMQ-UHFFFAOYSA-N 0 3 241.404 1.509 20 30 BDEDHN C#C[C@H](N[C@H](C)[C@H]1CCCCO1)[C@H]1CCCO1 ZINC000858406367 588951354 /nfs/dbraw/zinc/95/13/54/588951354.db2.gz IZFZCAMXVMREOQ-XJFOESAGSA-N 0 3 237.343 1.714 20 30 BDEDHN C(#Cc1ccccc1)CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897809613 584050640 /nfs/dbraw/zinc/05/06/40/584050640.db2.gz LGODJARDVUASAV-LEOABGAYSA-N 0 3 239.318 1.804 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000898398984 584131531 /nfs/dbraw/zinc/13/15/31/584131531.db2.gz UQLPKDXHQFOQFG-VHSXEESVSA-N 0 3 246.314 1.556 20 30 BDEDHN C=CCN(CC=C)C(=O)C12CCN(CC1)C2 ZINC000899920543 584254070 /nfs/dbraw/zinc/25/40/70/584254070.db2.gz JYEZYGDWBSEPFQ-UHFFFAOYSA-N 0 3 220.316 1.283 20 30 BDEDHN C#CCCOC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000859015178 588988975 /nfs/dbraw/zinc/98/89/75/588988975.db2.gz TTWKFYZIBCDPFI-VXGBXAGGSA-N 0 3 238.331 1.561 20 30 BDEDHN C=CCN1CCC(NC(=O)OCCF)CC1 ZINC000858950550 588986904 /nfs/dbraw/zinc/98/69/04/588986904.db2.gz NXTUKRPPCIBVOJ-UHFFFAOYSA-N 0 3 230.283 1.333 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccccc1NCC ZINC000902572394 584636817 /nfs/dbraw/zinc/63/68/17/584636817.db2.gz SQDXWZOHNLCDTL-ZDUSSCGKSA-N 0 3 232.327 1.592 20 30 BDEDHN C=C[C@H](CO)NCc1cc(C)ccc1NC ZINC000902622163 584645298 /nfs/dbraw/zinc/64/52/98/584645298.db2.gz ZYNTVZRGEUOHFV-GFCCVEGCSA-N 0 3 220.316 1.673 20 30 BDEDHN C[C@H](NC[C@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902766012 584666703 /nfs/dbraw/zinc/66/67/03/584666703.db2.gz WJPQBQDOXMOGAS-CMPLNLGQSA-N 0 3 231.299 1.640 20 30 BDEDHN CNC(=O)CCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902775660 584669394 /nfs/dbraw/zinc/66/93/94/584669394.db2.gz CAQPOQIJEIWCTD-JTQLQIEISA-N 0 3 246.314 1.130 20 30 BDEDHN C[C@H](N[C@H]1CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000902802354 584670616 /nfs/dbraw/zinc/67/06/16/584670616.db2.gz MIKHOLROGOLBJO-JKOKRWQUSA-N 0 3 245.326 1.907 20 30 BDEDHN C[C@@H](NCC[C@H](C)O)c1cc(C#N)ccn1 ZINC000902804635 584671523 /nfs/dbraw/zinc/67/15/23/584671523.db2.gz TZFJOGPEPLTWGV-VHSXEESVSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@@H](N[C@H]1CCN(C)C1)c1cc(C#N)ccn1 ZINC000902790485 584672886 /nfs/dbraw/zinc/67/28/86/584672886.db2.gz PHCGESJCQMWQHO-PWSUYJOCSA-N 0 3 230.315 1.308 20 30 BDEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902792860 584673146 /nfs/dbraw/zinc/67/31/46/584673146.db2.gz DTWNMXURCKVUHN-MNOVXSKESA-N 0 3 232.331 1.554 20 30 BDEDHN C[C@@H](N[C@@H]1CCCOC1)c1cc(C#N)ccn1 ZINC000902796928 584674617 /nfs/dbraw/zinc/67/46/17/584674617.db2.gz WUFGBOCTSRURED-ZYHUDNBSSA-N 0 3 231.299 1.783 20 30 BDEDHN CC[C@@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902796722 584674705 /nfs/dbraw/zinc/67/47/05/584674705.db2.gz UHLXMBNRLLHVLV-ZWNOBZJWSA-N 0 3 233.315 1.765 20 30 BDEDHN CC[C@H](NC[C@H](O)COC)c1cccc(C#N)c1 ZINC000902981555 584708431 /nfs/dbraw/zinc/70/84/31/584708431.db2.gz BCCFFEBFKQMHSO-KBPBESRZSA-N 0 3 248.326 1.606 20 30 BDEDHN C[C@H](NCCN(C)C)c1cc(C#N)ccn1 ZINC000902989297 584709277 /nfs/dbraw/zinc/70/92/77/584709277.db2.gz AFFROKYJXCOUTP-JTQLQIEISA-N 0 3 218.304 1.165 20 30 BDEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)CCO1 ZINC000903033252 584718723 /nfs/dbraw/zinc/71/87/23/584718723.db2.gz RCFBSIYZEZEENO-MNOVXSKESA-N 0 3 208.305 1.837 20 30 BDEDHN C=C[C@H](CO)N[C@H](C)[C@@H]1COc2ccccc2C1 ZINC000903056705 584722527 /nfs/dbraw/zinc/72/25/27/584722527.db2.gz RJJFBRSAFZOJMB-KWCYVHTRSA-N 0 3 247.338 1.763 20 30 BDEDHN C[C@@H](N[C@@H](CO)C1CCC1)c1cc(C#N)ccn1 ZINC000903047957 584723572 /nfs/dbraw/zinc/72/35/72/584723572.db2.gz ULBJAFIVSNYSPD-YGRLFVJLSA-N 0 3 245.326 1.765 20 30 BDEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCCc2c[nH]nc21 ZINC000903093270 584729202 /nfs/dbraw/zinc/72/92/02/584729202.db2.gz HTGZLVRPUNEERR-NWDGAFQWSA-N 0 3 235.331 1.704 20 30 BDEDHN C[C@H](NC[C@@H]1CCN1C)c1cc(C#N)ccn1 ZINC000903316364 584749618 /nfs/dbraw/zinc/74/96/18/584749618.db2.gz OHGNFRKYOFUATM-JQWIXIFHSA-N 0 3 230.315 1.308 20 30 BDEDHN CCN1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000903392058 584756041 /nfs/dbraw/zinc/75/60/41/584756041.db2.gz LTROBLQBNPQOQN-UPJWGTAASA-N 0 3 249.358 1.669 20 30 BDEDHN C=CC(C)(C)Cc1nc(N2CCNCC2)no1 ZINC000904126490 584842721 /nfs/dbraw/zinc/84/27/21/584842721.db2.gz LPZUJAVEOLQJCO-UHFFFAOYSA-N 0 3 236.319 1.234 20 30 BDEDHN N#Cc1cccc(CN[C@@H](CCO)C2CC2)n1 ZINC000877058988 584889374 /nfs/dbraw/zinc/88/93/74/584889374.db2.gz IMMGIXCUQDTDJD-ZDUSSCGKSA-N 0 3 231.299 1.204 20 30 BDEDHN C=CCON=C1CCN(CCC(=O)OC)CC1 ZINC000835013206 584918132 /nfs/dbraw/zinc/91/81/32/584918132.db2.gz LOJGVLQWUAOVFF-UHFFFAOYSA-N 0 3 240.303 1.204 20 30 BDEDHN CC[C@@H](C(=O)NC1=NO[C@@H](C)C1)N(CC)CC ZINC000765456000 584937616 /nfs/dbraw/zinc/93/76/16/584937616.db2.gz 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1.742 20 30 BDEDHN C#Cc1ccc(CNC[C@@H]2CCCNC2=O)cc1 ZINC000839196159 585098910 /nfs/dbraw/zinc/09/89/10/585098910.db2.gz SJAYMAHBHKYSFC-AWEZNQCLSA-N 0 3 242.322 1.284 20 30 BDEDHN N=C(N)N=NC1CCC[C@H]1c1ccc(F)cc1 ZINC000741159611 585110555 /nfs/dbraw/zinc/11/05/55/585110555.db2.gz ANHJDXBIJBYFRS-JTQLQIEISA-N 0 3 234.278 1.932 20 30 BDEDHN C=CCNC(=S)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741485219 585114674 /nfs/dbraw/zinc/11/46/74/585114674.db2.gz IBOPALPPRRELKX-WDEREUQCSA-N 0 3 241.404 1.461 20 30 BDEDHN C#CCNC(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000741794474 585119669 /nfs/dbraw/zinc/11/96/69/585119669.db2.gz UTMFTWMCITXSOO-RYUDHWBXSA-N 0 3 222.332 1.246 20 30 BDEDHN C[C@@H](Cc1cnccn1)NCc1ccc(C#N)o1 ZINC000742369339 585125106 /nfs/dbraw/zinc/12/51/06/585125106.db2.gz VQYXJGRFEBZEFI-JTQLQIEISA-N 0 3 242.282 1.662 20 30 BDEDHN C=C(C)CNC(=S)NCCN1CCC[C@@H]1C ZINC000743015695 585133154 /nfs/dbraw/zinc/13/31/54/585133154.db2.gz AQJHHEIRVRSXQQ-NSHDSACASA-N 0 3 241.404 1.511 20 30 BDEDHN C[C@H]1CCCN1CCNC(=O)C1(C#N)CCC1 ZINC000744348132 585149441 /nfs/dbraw/zinc/14/94/41/585149441.db2.gz FHVJRACZVRJBSA-NSHDSACASA-N 0 3 235.331 1.281 20 30 BDEDHN CC(=NN=C1CCN(C)[C@@H](C)C1)c1cnccn1 ZINC000745203149 585157810 /nfs/dbraw/zinc/15/78/10/585157810.db2.gz DWKBNBLHFJDSDW-JTQLQIEISA-N 0 3 245.330 1.756 20 30 BDEDHN c1cncc(CON=C2CN3CCC2CC3)c1 ZINC000746587011 585170422 /nfs/dbraw/zinc/17/04/22/585170422.db2.gz BVGAIJUFFQMCNH-UHFFFAOYSA-N 0 3 231.299 1.680 20 30 BDEDHN C#CCC1(NC(=O)C(=C)CN(C)C)CCCCC1 ZINC000886655659 585172516 /nfs/dbraw/zinc/17/25/16/585172516.db2.gz AECYMZXSYMRPLP-UHFFFAOYSA-N 0 3 248.370 1.947 20 30 BDEDHN C#CCCN1CCC(NC(=O)C2(C)CCC2)CC1 ZINC000750026182 585209636 /nfs/dbraw/zinc/20/96/36/585209636.db2.gz DCKUIGDIGCMRRZ-UHFFFAOYSA-N 0 3 248.370 1.781 20 30 BDEDHN CCC(=O)CCN1CCC(C)(C#N)CC1 ZINC000753750888 585268308 /nfs/dbraw/zinc/26/83/08/585268308.db2.gz ZDKLIPYIHHBNLF-UHFFFAOYSA-N 0 3 208.305 1.981 20 30 BDEDHN Cn1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753936335 585272568 /nfs/dbraw/zinc/27/25/68/585272568.db2.gz RUQXZBXLKZKONR-VXGBXAGGSA-N 0 3 245.330 1.219 20 30 BDEDHN Cc1nnc(C)n1N=C1C[C@H](C)N(C2CC2)C1 ZINC000753954510 585273420 /nfs/dbraw/zinc/27/34/20/585273420.db2.gz DJCIOMSRDQPTSW-QMMMGPOBSA-N 0 3 233.319 1.356 20 30 BDEDHN C#CCOCCN(C)CCc1ccccn1 ZINC000839532910 585328748 /nfs/dbraw/zinc/32/87/48/585328748.db2.gz XODNWWKEUVDJBT-UHFFFAOYSA-N 0 3 218.300 1.206 20 30 BDEDHN C[C@@H]1CC(C)(C)CN1CC(=O)NCCC#N ZINC000839660254 585334352 /nfs/dbraw/zinc/33/43/52/585334352.db2.gz KJOKGSXQTLFAMA-SNVBAGLBSA-N 0 3 223.320 1.137 20 30 BDEDHN C=CCNC(=S)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757539735 585340728 /nfs/dbraw/zinc/34/07/28/585340728.db2.gz BLOZTWMKEQBJKV-KOLCDFICSA-N 0 3 239.388 1.119 20 30 BDEDHN CC(C)N1CC(=NOCC(F)F)[C@@H](C)C1 ZINC000758899644 585361902 /nfs/dbraw/zinc/36/19/02/585361902.db2.gz KCENXYOSTCPQDH-QMMMGPOBSA-N 0 3 220.263 1.984 20 30 BDEDHN N#CCCNC(=O)CN1CCCC12CCCCC2 ZINC000759399367 585372038 /nfs/dbraw/zinc/37/20/38/585372038.db2.gz OPSNLABDEMYBJH-UHFFFAOYSA-N 0 3 249.358 1.815 20 30 BDEDHN C#CCCCC(=O)N(C)CCN1CCCC1 ZINC000760262350 585388007 /nfs/dbraw/zinc/38/80/07/585388007.db2.gz SBUNWYLTZDRCSZ-UHFFFAOYSA-N 0 3 222.332 1.344 20 30 BDEDHN CCO[C@@H](CC)C(=O)C(C#N)c1ccncn1 ZINC000760341628 585390717 /nfs/dbraw/zinc/39/07/17/585390717.db2.gz SPUICGMFDRVIFF-ONGXEEELSA-N 0 3 233.271 1.468 20 30 BDEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)c1ccncn1 ZINC000760342817 585390829 /nfs/dbraw/zinc/39/08/29/585390829.db2.gz YAXZJLLQWJAUIQ-MWLCHTKSSA-N 0 3 245.282 1.468 20 30 BDEDHN CC(C)CO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760344414 585390869 /nfs/dbraw/zinc/39/08/69/585390869.db2.gz HRSPNKMJAJTZTN-QWRGUYRKSA-N 0 3 247.298 1.714 20 30 BDEDHN N#CCCN(CCN1CCCC1)CC1CC1 ZINC000760842719 585399391 /nfs/dbraw/zinc/39/93/91/585399391.db2.gz IUDKEFGXDNTYHN-UHFFFAOYSA-N 0 3 221.348 1.708 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](CCO)c1cccs1 ZINC000761936215 585423151 /nfs/dbraw/zinc/42/31/51/585423151.db2.gz LIZTUWXNPYBMMP-IUCAKERBSA-N 0 3 238.312 1.447 20 30 BDEDHN C#CCCc1noc([C@@H]2CCN(C)C2)n1 ZINC000762016278 585424276 /nfs/dbraw/zinc/42/42/76/585424276.db2.gz KUTMTXIADQIHSR-SECBINFHSA-N 0 3 205.261 1.055 20 30 BDEDHN CCC1(CC)C(=Nn2cnnc2)C[C@@H]1OC ZINC000762605591 585434549 /nfs/dbraw/zinc/43/45/49/585434549.db2.gz RXTYJNBDMYFPKN-JTQLQIEISA-N 0 3 222.292 1.707 20 30 BDEDHN C=C(C)CN(CC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763660584 585451847 /nfs/dbraw/zinc/45/18/47/585451847.db2.gz MZVRMICSLUMIOI-LLVKDONJSA-N 0 3 223.316 1.980 20 30 BDEDHN C=C(CN(C)C)C(=O)Nn1cnc2ccccc21 ZINC000764072882 585459102 /nfs/dbraw/zinc/45/91/02/585459102.db2.gz OJDHTVYSDUNJSV-UHFFFAOYSA-N 0 3 244.298 1.224 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccsc1 ZINC000764275100 585463356 /nfs/dbraw/zinc/46/33/56/585463356.db2.gz BQINMNKQJYANCH-UHFFFAOYSA-N 0 3 224.329 1.482 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1(C#N)CCCC1 ZINC000764500104 585466922 /nfs/dbraw/zinc/46/69/22/585466922.db2.gz SEPKSMJYBJVFLT-UHFFFAOYSA-N 0 3 221.304 1.057 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000764542050 585467402 /nfs/dbraw/zinc/46/74/02/585467402.db2.gz UCWMFRKZOVELHZ-QWRGUYRKSA-N 0 3 242.388 1.457 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000764608690 585468955 /nfs/dbraw/zinc/46/89/55/585468955.db2.gz POFZRCVGVHIYHA-LLVKDONJSA-N 0 3 224.348 1.751 20 30 BDEDHN FC(F)(F)CON=C1CCN2CCC[C@H]12 ZINC000765582737 585490390 /nfs/dbraw/zinc/49/03/90/585490390.db2.gz FLVANZQRZMFEMJ-MRVPVSSYSA-N 0 3 222.210 1.789 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CC(C)C ZINC000765589034 585490690 /nfs/dbraw/zinc/49/06/90/585490690.db2.gz ULGSWRCBAVWLGA-GHMZBOCLSA-N 0 3 236.315 1.680 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1cc2c(cc1O)OCO2 ZINC000766661282 585504697 /nfs/dbraw/zinc/50/46/97/585504697.db2.gz ATRWLDKFYSYORZ-SECBINFHSA-N 0 3 233.267 1.574 20 30 BDEDHN C#CCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000766900508 585510168 /nfs/dbraw/zinc/51/01/68/585510168.db2.gz LKTPQHBXBKDYJS-NXEZZACHSA-N 0 3 235.249 1.787 20 30 BDEDHN C#CCCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000766907221 585511111 /nfs/dbraw/zinc/51/11/11/585511111.db2.gz XBHCKERHNDCTRP-NEPJUHHUSA-N 0 3 220.316 1.143 20 30 BDEDHN C#CCC(C)(C)C(=O)N(CCC)CCN(C)C ZINC000767067071 585513293 /nfs/dbraw/zinc/51/32/93/585513293.db2.gz HXZYVIZUKJDFTH-UHFFFAOYSA-N 0 3 238.375 1.836 20 30 BDEDHN COC(=O)CCCC[C@H](C)C(C)N=NC(=N)N ZINC000767743100 585525525 /nfs/dbraw/zinc/52/55/25/585525525.db2.gz FWWFSMIBTKGWIU-QMMMGPOBSA-N 0 3 242.323 1.215 20 30 BDEDHN C[C@@H](CO)CN(C)Cc1cc(C#N)cs1 ZINC000769447031 585556871 /nfs/dbraw/zinc/55/68/71/585556871.db2.gz RPUXNTAGPPGGAG-SECBINFHSA-N 0 3 224.329 1.680 20 30 BDEDHN N#Cc1cc(CN[C@@H](CO)C2CC2)ccc1F ZINC000771800811 585600396 /nfs/dbraw/zinc/60/03/96/585600396.db2.gz GDZJFRBBONRACK-ZDUSSCGKSA-N 0 3 234.274 1.558 20 30 BDEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)NCCC#N ZINC000772341109 585613152 /nfs/dbraw/zinc/61/31/52/585613152.db2.gz CDNZZWFURNSGAC-WDEREUQCSA-N 0 3 223.320 1.279 20 30 BDEDHN C#CCNC(=O)CCN[C@H](C)c1cnccc1C ZINC000772449927 585615942 /nfs/dbraw/zinc/61/59/42/585615942.db2.gz ZRAAMZQCJDAHLL-GFCCVEGCSA-N 0 3 245.326 1.180 20 30 BDEDHN CCCCCCCOC(=O)C1CCN(C)C1=O ZINC000772534129 585617670 /nfs/dbraw/zinc/61/76/70/585617670.db2.gz OXSIFXNDHCUYMU-LLVKDONJSA-N 0 3 241.331 1.978 20 30 BDEDHN N#CC(C(=O)Cc1ccco1)C(=O)N1CCCC1 ZINC000772645430 585619839 /nfs/dbraw/zinc/61/98/39/585619839.db2.gz ZLQMSRQWYOKMNP-LLVKDONJSA-N 0 3 246.266 1.153 20 30 BDEDHN C#CCCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773552030 585640419 /nfs/dbraw/zinc/64/04/19/585640419.db2.gz YEWGHBYJXUPJPK-UHFFFAOYSA-N 0 3 238.331 1.322 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C(C)C ZINC000773980230 585647512 /nfs/dbraw/zinc/64/75/12/585647512.db2.gz PDNOTVYRFYNIOY-GARJFASQSA-N 0 3 234.299 1.290 20 30 BDEDHN C#CC[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774131479 585651290 /nfs/dbraw/zinc/65/12/90/585651290.db2.gz UHNRGAGJMIBQSH-GHMZBOCLSA-N 0 3 237.299 1.056 20 30 BDEDHN COCC#CCN[C@@H](C)c1cc(OC)ccc1O ZINC000775371804 585676700 /nfs/dbraw/zinc/67/67/00/585676700.db2.gz UCYGJHLEBWGXQR-NSHDSACASA-N 0 3 249.310 1.701 20 30 BDEDHN CC[C@](C)(NCC(=O)NCC#N)c1ccccc1 ZINC000775390604 585677374 /nfs/dbraw/zinc/67/73/74/585677374.db2.gz OJRDQMMDLWOGFK-AWEZNQCLSA-N 0 3 245.326 1.541 20 30 BDEDHN C#C[C@H](NCCc1c(C)noc1C)[C@H]1CCCO1 ZINC000775789830 585684879 /nfs/dbraw/zinc/68/48/79/585684879.db2.gz FCWCHVFGTDHBNK-UONOGXRCSA-N 0 3 248.326 1.604 20 30 BDEDHN C#C[C@H](NCCCCCCCO)[C@H]1CCCO1 ZINC000775797225 585685125 /nfs/dbraw/zinc/68/51/25/585685125.db2.gz BXYMPMQXVNTIIC-UONOGXRCSA-N 0 3 239.359 1.700 20 30 BDEDHN C=CCCC[C@H](C)NC(=S)NCCN(C)C ZINC000776204540 585692838 /nfs/dbraw/zinc/69/28/38/585692838.db2.gz VFPRYKQGSQAPTC-NSHDSACASA-N 0 3 243.420 1.757 20 30 BDEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(C)c1[O-] ZINC000776256222 585693916 /nfs/dbraw/zinc/69/39/16/585693916.db2.gz NMVOZILZZNMNJL-GFCCVEGCSA-N 0 3 235.327 1.975 20 30 BDEDHN C#C[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000776478245 585699310 /nfs/dbraw/zinc/69/93/10/585699310.db2.gz RMPAWFCAANTVCA-VXGBXAGGSA-N 0 3 237.347 1.039 20 30 BDEDHN COC[C@@H](C)NN=C1CCN(C)[C@H](C)C1 ZINC000777894063 585722103 /nfs/dbraw/zinc/72/21/03/585722103.db2.gz ZHPRXUCAWUWNJU-NXEZZACHSA-N 0 3 213.325 1.081 20 30 BDEDHN C[C@H]1CN=C(NN=C2c3ccccc3C[C@@H]2C)N1 ZINC000779792858 585764044 /nfs/dbraw/zinc/76/40/44/585764044.db2.gz VMRXBXWMJFEENM-UWVGGRQHSA-N 0 3 242.326 1.520 20 30 BDEDHN CC(Cc1ccsc1)=NNC1=N[C@H](C)CN1 ZINC000779792646 585764068 /nfs/dbraw/zinc/76/40/68/585764068.db2.gz OQVKHYOIPXJLLK-SECBINFHSA-N 0 3 236.344 1.604 20 30 BDEDHN C[C@H]1CNC(NN=C[C@@H]2CCC[C@@H](C)C2)=N1 ZINC000779794514 585764281 /nfs/dbraw/zinc/76/42/81/585764281.db2.gz JMNDVXASUYEUJV-OUAUKWLOSA-N 0 3 222.336 1.736 20 30 BDEDHN COc1cccc(N=NC2CCN(C)[C@@H](C)C2)n1 ZINC000779817462 585766978 /nfs/dbraw/zinc/76/69/78/585766978.db2.gz OIHUXFBFDCJFHO-JTQLQIEISA-N 0 3 248.330 1.972 20 30 BDEDHN C#CCCCCCC(=O)NCC1=CCN(C)CC1 ZINC000780728699 585783590 /nfs/dbraw/zinc/78/35/90/585783590.db2.gz KLCYBVYWQCKMLZ-UHFFFAOYSA-N 0 3 248.370 1.948 20 30 BDEDHN COCCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000783300206 585833284 /nfs/dbraw/zinc/83/32/84/585833284.db2.gz KJJLCBSSQYSMTB-LLVKDONJSA-N 0 3 233.315 1.858 20 30 BDEDHN C[C@H](C=Nn1cnnc1)Cc1ccccc1 ZINC000783773460 585842767 /nfs/dbraw/zinc/84/27/67/585842767.db2.gz YKRGBZWMLHGICK-NSHDSACASA-N 0 3 214.272 1.991 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@H](COC)C1 ZINC000784371836 585857583 /nfs/dbraw/zinc/85/75/83/585857583.db2.gz BJCZUWBUMDNUSO-RYUDHWBXSA-N 0 3 211.305 1.136 20 30 BDEDHN CN(CC(=O)NCCC#N)C[C@H]1CC=CCC1 ZINC000784391270 585858308 /nfs/dbraw/zinc/85/83/08/585858308.db2.gz JQIPDAISCWJKRL-LBPRGKRZSA-N 0 3 235.331 1.304 20 30 BDEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000786297059 585889382 /nfs/dbraw/zinc/88/93/82/585889382.db2.gz NHFDJNFEXORGCT-SNVBAGLBSA-N 0 3 247.298 1.258 20 30 BDEDHN C#CCCCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000791590479 585984824 /nfs/dbraw/zinc/98/48/24/585984824.db2.gz MPDHUGVFFANVNE-OLZOCXBDSA-N 0 3 223.316 1.280 20 30 BDEDHN C=CCNC(=S)N1CC[C@]2(CCN(C)C2)C1 ZINC000793322648 586016784 /nfs/dbraw/zinc/01/67/84/586016784.db2.gz OYEVVXDQGJWJHQ-LBPRGKRZSA-N 0 3 239.388 1.075 20 30 BDEDHN C=CCCOCCN[C@H](C)c1cc(C)nn1C ZINC000793548926 586022674 /nfs/dbraw/zinc/02/26/74/586022674.db2.gz MNQJONUFNNNQDG-GFCCVEGCSA-N 0 3 237.347 1.972 20 30 BDEDHN C#C[C@@H](C)N(C)CCOC1CCOCC1 ZINC000859281947 589027633 /nfs/dbraw/zinc/02/76/33/589027633.db2.gz ZCVDQHNBLKTMJR-LLVKDONJSA-N 0 3 211.305 1.136 20 30 BDEDHN N=C(N)N=NC1CCC[C@@H]1c1ccccn1 ZINC000794887527 586053331 /nfs/dbraw/zinc/05/33/31/586053331.db2.gz GSGPJJNDAQAEEA-MRVPVSSYSA-N 0 3 217.276 1.188 20 30 BDEDHN C[C@H]1CNC(NN=C2CCC[C@H]2CCF)=N1 ZINC000794927469 586055905 /nfs/dbraw/zinc/05/59/05/586055905.db2.gz NSRQITKAHNQWQX-IUCAKERBSA-N 0 3 226.299 1.439 20 30 BDEDHN CC(C)(C(=O)C(C#N)c1ccncn1)C(F)F ZINC000796847609 586114569 /nfs/dbraw/zinc/11/45/69/586114569.db2.gz VTOHMOWNSBDYTK-ZETCQYMHSA-N 0 3 239.225 1.944 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)nc(N)n1 ZINC000797836617 586132636 /nfs/dbraw/zinc/13/26/36/586132636.db2.gz XCHRHDVMABQUIZ-PWSUYJOCSA-N 0 3 248.330 1.760 20 30 BDEDHN C#C[C@H](NC(=O)N[C@H]1CCCN(C)C1)C(C)C ZINC000798543192 586144754 /nfs/dbraw/zinc/14/47/54/586144754.db2.gz QLXSVBFJUKGRJE-RYUDHWBXSA-N 0 3 237.347 1.038 20 30 BDEDHN c1nncn1N=C1CCC[C@H]([C@H]2CCOC2)C1 ZINC000799105189 586156409 /nfs/dbraw/zinc/15/64/09/586156409.db2.gz OKYCGSLFSGEORQ-QWRGUYRKSA-N 0 3 234.303 1.709 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179151 586165568 /nfs/dbraw/zinc/16/55/68/586165568.db2.gz BRTDHZHRNCIAPG-UTUOFQBUSA-N 0 3 236.315 1.219 20 30 BDEDHN CC(=NNC(=N)N)c1coc(C(C)C)n1 ZINC000799476774 586178084 /nfs/dbraw/zinc/17/80/84/586178084.db2.gz VBNWGEXJFZHXOH-UHFFFAOYSA-N 0 3 209.253 1.005 20 30 BDEDHN Cc1ccc([C@H](O)CN[C@H]2CC[C@H](C#N)C2)o1 ZINC000799718464 586193214 /nfs/dbraw/zinc/19/32/14/586193214.db2.gz BOQAJJYNBCJEHG-SDDRHHMPSA-N 0 3 234.299 1.903 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800387861 586215255 /nfs/dbraw/zinc/21/52/55/586215255.db2.gz VVSRMXJKELIUQY-YUMQZZPRSA-N 0 3 244.241 1.267 20 30 BDEDHN C#CCOCCN1CCC(CCOC)CC1 ZINC000859401463 589035392 /nfs/dbraw/zinc/03/53/92/589035392.db2.gz COCBLWDALXRBLN-UHFFFAOYSA-N 0 3 225.332 1.385 20 30 BDEDHN CC#CC(=O)N1CCCC12CCN(C)CC2 ZINC000801181412 586245817 /nfs/dbraw/zinc/24/58/17/586245817.db2.gz OGEVTBWYQKPUOC-UHFFFAOYSA-N 0 3 220.316 1.097 20 30 BDEDHN CC#CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000801253262 586250321 /nfs/dbraw/zinc/25/03/21/586250321.db2.gz UAWHOSSWQNIYBS-GFCCVEGCSA-N 0 3 220.316 1.143 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@H](n2ccnc2)C1 ZINC000801918560 586276206 /nfs/dbraw/zinc/27/62/06/586276206.db2.gz RCMVIXCADZWDMX-OLZOCXBDSA-N 0 3 248.330 1.449 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@H](c2ccccn2)C1 ZINC000801953893 586284005 /nfs/dbraw/zinc/28/40/05/586284005.db2.gz YGGBYLOGRIOWAE-STQMWFEESA-N 0 3 245.326 1.800 20 30 BDEDHN CC#CCN1CCC[C@@](O)(c2ccccc2)C1 ZINC000859586020 589047639 /nfs/dbraw/zinc/04/76/39/589047639.db2.gz FRGPFLGUENGPHQ-HNNXBMFYSA-N 0 3 229.323 1.993 20 30 BDEDHN C#CCOC(=O)CC[C@@H]1CCCCN1C ZINC000803857261 586377413 /nfs/dbraw/zinc/37/74/13/586377413.db2.gz VYZZJAPFZUUUQA-NSHDSACASA-N 0 3 209.289 1.427 20 30 BDEDHN C[C@@H](C#N)OC(=O)CC[C@@H]1CCCCN1C ZINC000803856978 586377425 /nfs/dbraw/zinc/37/74/25/586377425.db2.gz VQYGVODZTBMRNY-QWRGUYRKSA-N 0 3 224.304 1.706 20 30 BDEDHN CC#CCOC(=O)CC[C@@H]1CCCCN1C ZINC000803857411 586377980 /nfs/dbraw/zinc/37/79/80/586377980.db2.gz FLYOOEBQTAMGQI-LBPRGKRZSA-N 0 3 223.316 1.817 20 30 BDEDHN CCSCC(=NNC(=N)N)c1ccccc1 ZINC000807962288 586452853 /nfs/dbraw/zinc/45/28/53/586452853.db2.gz UIDITLSXNUEDKQ-UHFFFAOYSA-N 0 3 236.344 1.627 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(C)cn1 ZINC000808411137 586471782 /nfs/dbraw/zinc/47/17/82/586471782.db2.gz SPZCNTRSMFXVRM-AAEUAGOBSA-N 0 3 235.331 1.491 20 30 BDEDHN C#Cc1ccc(CN[C@H](C)C(=O)N(C)C)cc1 ZINC000809634163 586510256 /nfs/dbraw/zinc/51/02/56/586510256.db2.gz UXNDWRXBIQOJGX-LLVKDONJSA-N 0 3 230.311 1.234 20 30 BDEDHN C#Cc1ccc(CN(C)C[C@H](O)C2CC2)cc1 ZINC000809751818 586517473 /nfs/dbraw/zinc/51/74/73/586517473.db2.gz LGPDLFBCYNDLLG-HNNXBMFYSA-N 0 3 229.323 1.871 20 30 BDEDHN C#C[C@H](NCCc1ccncc1)[C@H]1CCCO1 ZINC000809981096 586528231 /nfs/dbraw/zinc/52/82/31/586528231.db2.gz ZDSPVVWKEFNCKI-UONOGXRCSA-N 0 3 230.311 1.395 20 30 BDEDHN CC(C)CNN=Cc1cnc(N(C)C)n1C ZINC000811646553 586562489 /nfs/dbraw/zinc/56/24/89/586562489.db2.gz CWEGSCRMRNXGMB-UHFFFAOYSA-N 0 3 223.324 1.066 20 30 BDEDHN C=C(C)CN=NC1CN(C2CC2)C[C@@H]1C ZINC000811649967 586562796 /nfs/dbraw/zinc/56/27/96/586562796.db2.gz FQUMQNGBNPBDRI-JTQLQIEISA-N 0 3 207.321 1.622 20 30 BDEDHN C=C(C)CNN=Cc1ccc(N(C)CCO)cc1 ZINC000811652548 586563381 /nfs/dbraw/zinc/56/33/81/586563381.db2.gz PGHPBMJDFIGIEN-UHFFFAOYSA-N 0 3 247.342 1.615 20 30 BDEDHN CC[C@H](O)CNN=C1CCCNc2ccccc21 ZINC000811655430 586564007 /nfs/dbraw/zinc/56/40/07/586564007.db2.gz NUQIYGKVLPEEJF-NSHDSACASA-N 0 3 247.342 1.957 20 30 BDEDHN C#CCN(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000812010029 586569615 /nfs/dbraw/zinc/56/96/15/586569615.db2.gz MATHAOXLQLUGFR-LBPRGKRZSA-N 0 3 237.347 1.135 20 30 BDEDHN COc1ccccc1CN(OC)C(=O)C(C)C#N ZINC000812366143 586574916 /nfs/dbraw/zinc/57/49/16/586574916.db2.gz UZHHQQXXTHQTQP-SNVBAGLBSA-N 0 3 248.282 1.745 20 30 BDEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CCOC1 ZINC000812454685 586577569 /nfs/dbraw/zinc/57/75/69/586577569.db2.gz ODHWKQRYLAULFL-LLVKDONJSA-N 0 3 242.282 1.816 20 30 BDEDHN C[C@@H]1CCCN1CCNc1ncc(C#N)cc1F ZINC000840267190 586583637 /nfs/dbraw/zinc/58/36/37/586583637.db2.gz CSROUKBHAVTCRT-SNVBAGLBSA-N 0 3 248.305 1.989 20 30 BDEDHN CC(COC(=O)c1cccc(CC#N)c1)[N+](=O)[O-] ZINC000813106012 586592928 /nfs/dbraw/zinc/59/29/28/586592928.db2.gz XMRZMRHMDBEUKN-SECBINFHSA-N 0 3 248.238 1.575 20 30 BDEDHN C=CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109715 586593399 /nfs/dbraw/zinc/59/33/99/586593399.db2.gz OFCZKRBJUNTRLU-QMMMGPOBSA-N 0 3 201.222 1.551 20 30 BDEDHN CC(COC(=O)c1ccc(C#N)cc1)[N+](=O)[O-] ZINC000813112614 586594038 /nfs/dbraw/zinc/59/40/38/586594038.db2.gz JQKOUKKFVNMPBO-QMMMGPOBSA-N 0 3 234.211 1.380 20 30 BDEDHN C#C[C@H](NC(=O)CC1CCN(C)CC1)C(C)C ZINC000813557011 586603259 /nfs/dbraw/zinc/60/32/59/586603259.db2.gz BLJVAGADJPCASK-ZDUSSCGKSA-N 0 3 236.359 1.492 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000813729960 586605874 /nfs/dbraw/zinc/60/58/74/586605874.db2.gz KBZUIANLRCALPV-SECBINFHSA-N 0 3 232.274 1.408 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000813729964 586605927 /nfs/dbraw/zinc/60/59/27/586605927.db2.gz KBZUIANLRCALPV-VIFPVBQESA-N 0 3 232.274 1.408 20 30 BDEDHN C#CCCCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000814143074 586614101 /nfs/dbraw/zinc/61/41/01/586614101.db2.gz LQCNKOJJAJLEKI-STQMWFEESA-N 0 3 234.343 1.343 20 30 BDEDHN c1nncn1N=C1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000814681851 586629138 /nfs/dbraw/zinc/62/91/38/586629138.db2.gz AMVNCFJPLJEFFE-GHMZBOCLSA-N 0 3 234.303 1.709 20 30 BDEDHN C=CCC(F)(F)C(=O)NC[C@H]1CCCN(C)C1 ZINC000815527948 586686956 /nfs/dbraw/zinc/68/69/56/586686956.db2.gz WMFZDLJMWGBVDR-SNVBAGLBSA-N 0 3 246.301 1.656 20 30 BDEDHN C#CCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000817161702 586784541 /nfs/dbraw/zinc/78/45/41/586784541.db2.gz NCGRTNJEOFFAIC-LBPRGKRZSA-N 0 3 237.347 1.135 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC2(C1)CCCCC2 ZINC000818055894 586867495 /nfs/dbraw/zinc/86/74/95/586867495.db2.gz HYPDRENLLRSRCS-UHFFFAOYSA-N 0 3 236.359 1.897 20 30 BDEDHN C#CCCCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000818179200 586879245 /nfs/dbraw/zinc/87/92/45/586879245.db2.gz WXADOVQZCSOZRF-OAHLLOKOSA-N 0 3 248.370 1.734 20 30 BDEDHN CC#CCCNC[C@H](O)c1ccc(F)cn1 ZINC000819212820 586939553 /nfs/dbraw/zinc/93/95/53/586939553.db2.gz ACCNMDXRKULHKX-LBPRGKRZSA-N 0 3 222.263 1.257 20 30 BDEDHN C=CCOCCNC[C@H](O)c1ccc(C)cc1 ZINC000819217984 586939602 /nfs/dbraw/zinc/93/96/02/586939602.db2.gz JRSFYCKXNUNKPT-AWEZNQCLSA-N 0 3 235.327 1.821 20 30 BDEDHN C#Cc1ccc(CNC[C@H](O)CCOCC)cc1 ZINC000819340443 586954588 /nfs/dbraw/zinc/95/45/88/586954588.db2.gz YVKVHWAIUCYOIX-OAHLLOKOSA-N 0 3 247.338 1.545 20 30 BDEDHN C#Cc1cccc(CNC[C@H](O)C2CC2)c1 ZINC000819356176 586956234 /nfs/dbraw/zinc/95/62/34/586956234.db2.gz BKEODTHYTGLOGT-AWEZNQCLSA-N 0 3 215.296 1.528 20 30 BDEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000820271018 587039371 /nfs/dbraw/zinc/03/93/71/587039371.db2.gz FFJUHDBQZHHEMS-JHJVBQTASA-N 0 3 236.359 1.751 20 30 BDEDHN C#C[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000820394880 587045749 /nfs/dbraw/zinc/04/57/49/587045749.db2.gz PLVMQSGSKBKSDS-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820399272 587046236 /nfs/dbraw/zinc/04/62/36/587046236.db2.gz CTBWHCUIPYFDGC-RYUDHWBXSA-N 0 3 249.358 1.134 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000821567505 587129177 /nfs/dbraw/zinc/12/91/77/587129177.db2.gz OOTTXBGOVLJPDG-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCCN1CCN(C[C@H](OC)C2CC2)CC1 ZINC000822784680 587186018 /nfs/dbraw/zinc/18/60/18/587186018.db2.gz FQGWKEWUOJFTKI-AWEZNQCLSA-N 0 3 236.359 1.052 20 30 BDEDHN C#C[C@H](NC[C@H](OC)C1CC1)[C@@H]1CCCO1 ZINC000822870303 587190079 /nfs/dbraw/zinc/19/00/79/587190079.db2.gz SOTPGKMFAMEJBU-AVGNSLFASA-N 0 3 223.316 1.182 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000823044984 587198994 /nfs/dbraw/zinc/19/89/94/587198994.db2.gz OWGFQKBWHFOUEN-NEPJUHHUSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000824259245 587263659 /nfs/dbraw/zinc/26/36/59/587263659.db2.gz QOAMIMMYGIIBGO-KBPBESRZSA-N 0 3 248.370 1.731 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000824861050 587290693 /nfs/dbraw/zinc/29/06/93/587290693.db2.gz FKZPWAFNPCSOAY-YPMHNXCESA-N 0 3 237.274 1.964 20 30 BDEDHN CC#CC(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826660247 587358247 /nfs/dbraw/zinc/35/82/47/587358247.db2.gz JPLYAVNSWWHXJQ-AWEZNQCLSA-N 0 3 248.370 1.923 20 30 BDEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000826867107 587364452 /nfs/dbraw/zinc/36/44/52/587364452.db2.gz HAMPDIDMIWSNDF-CYBMUJFWSA-N 0 3 234.343 1.246 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000826878044 587364674 /nfs/dbraw/zinc/36/46/74/587364674.db2.gz RBGHHNKMVNWVKJ-LBPRGKRZSA-N 0 3 222.332 1.104 20 30 BDEDHN CCCCN(C)CCNC(=O)C#CC(C)C ZINC000827407519 587380249 /nfs/dbraw/zinc/38/02/49/587380249.db2.gz LUQVFKSFLQFENA-UHFFFAOYSA-N 0 3 224.348 1.494 20 30 BDEDHN C#C[C@H](NCc1cccc(O)c1)C1CCOCC1 ZINC000827571250 587389381 /nfs/dbraw/zinc/38/93/81/587389381.db2.gz XUJXFLHDHNATAT-HNNXBMFYSA-N 0 3 245.322 1.910 20 30 BDEDHN C#C[C@H](NCc1ccoc1)C1CCOCC1 ZINC000827570975 587389388 /nfs/dbraw/zinc/38/93/88/587389388.db2.gz VHEHDGFRNCIKHC-ZDUSSCGKSA-N 0 3 219.284 1.798 20 30 BDEDHN C#C[C@H](NCc1cccnc1)C1CCOCC1 ZINC000827570343 587389529 /nfs/dbraw/zinc/38/95/29/587389529.db2.gz MSZUXRQZWHQWCC-AWEZNQCLSA-N 0 3 230.311 1.600 20 30 BDEDHN COc1ccc(CNC2([C@@H](C)O)CC2)cc1C#N ZINC000827586615 587390634 /nfs/dbraw/zinc/39/06/34/587390634.db2.gz ZNZUSLKQQXYAQD-SNVBAGLBSA-N 0 3 246.310 1.570 20 30 BDEDHN C#Cc1cnc(N[C@H]2CCN(C)[C@H](C)C2)nc1 ZINC000827679493 587395810 /nfs/dbraw/zinc/39/58/10/587395810.db2.gz MBKRMWUUQYKXDC-PWSUYJOCSA-N 0 3 230.315 1.353 20 30 BDEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)C1CC1 ZINC000828775341 587461602 /nfs/dbraw/zinc/46/16/02/587461602.db2.gz WXGRTBPRYJCFGV-UHFFFAOYSA-N 0 3 246.301 1.750 20 30 BDEDHN N#CC(C(=O)N1CCCC1)C(=O)C12CC(C1)C2 ZINC000860460777 589101762 /nfs/dbraw/zinc/10/17/62/589101762.db2.gz AQNPRSGINUNKLR-RUETXSTFSA-N 0 3 232.283 1.118 20 30 BDEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000829768264 587514547 /nfs/dbraw/zinc/51/45/47/587514547.db2.gz AVFZIJLCKQNQKQ-NWDGAFQWSA-N 0 3 222.332 1.198 20 30 BDEDHN C#CC[C@H]1CCCN([C@H](C(=O)OC)C2CC2)C1 ZINC000829810870 587518530 /nfs/dbraw/zinc/51/85/30/587518530.db2.gz VJTWAANARGTERF-AAEUAGOBSA-N 0 3 235.327 1.673 20 30 BDEDHN C#CC1CCN(CCC(=O)C(C)C)CC1 ZINC000830350673 587547297 /nfs/dbraw/zinc/54/72/97/587547297.db2.gz GBMQUQWDEFUQMT-UHFFFAOYSA-N 0 3 207.317 1.947 20 30 BDEDHN N#CCCCCN1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC000830949998 587578673 /nfs/dbraw/zinc/57/86/73/587578673.db2.gz SIYHFIPQWHVGPQ-WDEREUQCSA-N 0 3 237.303 1.111 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCC1CC=CC1 ZINC000831433705 587606290 /nfs/dbraw/zinc/60/62/90/587606290.db2.gz PVTROPNYIICBQF-UHFFFAOYSA-N 0 3 222.332 1.577 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NC[C@H](O)c1ccc(C)cc1 ZINC000831679096 587627650 /nfs/dbraw/zinc/62/76/50/587627650.db2.gz OGTJADPMRUHURV-ILXRZTDVSA-N 0 3 247.338 1.962 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1CCCC2(CCC2)O1 ZINC000832326109 587654208 /nfs/dbraw/zinc/65/42/08/587654208.db2.gz CAOKGQOZSQKHQF-MNOVXSKESA-N 0 3 236.315 1.754 20 30 BDEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000832469569 587661832 /nfs/dbraw/zinc/66/18/32/587661832.db2.gz SFQNDBHNNOVEKU-NWDGAFQWSA-N 0 3 237.347 1.527 20 30 BDEDHN CC(C#N)C(=O)NCc1noc2ccccc12 ZINC000834692243 587764253 /nfs/dbraw/zinc/76/42/53/587764253.db2.gz ZBPVLZCLJUHIKJ-QMMMGPOBSA-N 0 3 229.239 1.604 20 30 BDEDHN C[C@H](CO)NN=C1CCCc2cc(N)ccc21 ZINC000834964906 587773096 /nfs/dbraw/zinc/77/30/96/587773096.db2.gz ROYQDNXGWUCGMI-SECBINFHSA-N 0 3 233.315 1.280 20 30 BDEDHN C[C@H](CO)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834964344 587773203 /nfs/dbraw/zinc/77/32/03/587773203.db2.gz KXGUEJFHYZCRPH-DYWVNOLRSA-N 0 3 247.342 1.722 20 30 BDEDHN C[C@@H](O)CNN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834982839 587775967 /nfs/dbraw/zinc/77/59/67/587775967.db2.gz MBVMLMFLSBKQBG-CMMRPPCJSA-N 0 3 247.342 1.722 20 30 BDEDHN C=CC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835456945 587803339 /nfs/dbraw/zinc/80/33/39/587803339.db2.gz VAOZLVKEODYEAK-ZETCQYMHSA-N 0 3 201.222 1.407 20 30 BDEDHN C#CCN(C)CCCNC(=O)N(C)CC(=C)C ZINC000836490064 587834262 /nfs/dbraw/zinc/83/42/62/587834262.db2.gz FGAGLDCUBFYWSO-UHFFFAOYSA-N 0 3 237.347 1.159 20 30 BDEDHN C=CC(C)(C)CNC(=O)C1(N(C)C)CCC1 ZINC000836828047 587839092 /nfs/dbraw/zinc/83/90/92/587839092.db2.gz JMRDWLRRFCHQGR-UHFFFAOYSA-N 0 3 224.348 1.799 20 30 BDEDHN CN1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC000837355782 587868800 /nfs/dbraw/zinc/86/88/00/587868800.db2.gz JBFDVUJBKRPVOJ-LLVKDONJSA-N 0 3 222.332 1.104 20 30 BDEDHN CCCCN(C)CCNC(=O)C#CC(C)(C)C ZINC000837413799 587870929 /nfs/dbraw/zinc/87/09/29/587870929.db2.gz RNWHAMLBFYJUOE-UHFFFAOYSA-N 0 3 238.375 1.884 20 30 BDEDHN C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)CCN1C ZINC000837434294 587872977 /nfs/dbraw/zinc/87/29/77/587872977.db2.gz HYEAGVYNYPMKCT-VXGBXAGGSA-N 0 3 236.359 1.635 20 30 BDEDHN O=C(C#CC1CC1)NC[C@H]1CCCCN1C1CC1 ZINC000837583054 587883863 /nfs/dbraw/zinc/88/38/63/587883863.db2.gz VFHXUZVYZRCJIL-CQSZACIVSA-N 0 3 246.354 1.533 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)C#CC(C)(C)C ZINC000837652499 587887853 /nfs/dbraw/zinc/88/78/53/587887853.db2.gz NFWAKUXXYYHNQT-JTQLQIEISA-N 0 3 210.321 1.102 20 30 BDEDHN C=C[C@@H](O)C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837747838 587893913 /nfs/dbraw/zinc/89/39/13/587893913.db2.gz WCHXDZXZDJJUQB-NWDGAFQWSA-N 0 3 241.331 1.339 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840514255 587909096 /nfs/dbraw/zinc/90/90/96/587909096.db2.gz DROHNSHYLJGIRX-WOPDTQHZSA-N 0 3 240.347 1.034 20 30 BDEDHN C#CCCCCN[C@H](C)c1ccn(C)n1 ZINC000840727339 587918345 /nfs/dbraw/zinc/91/83/45/587918345.db2.gz GQQJGUFDMWKBCJ-LLVKDONJSA-N 0 3 205.305 1.874 20 30 BDEDHN C=CCON=C([O-])Nc1cccc2c1CC[NH2+]C2 ZINC000841307116 587950519 /nfs/dbraw/zinc/95/05/19/587950519.db2.gz HHBQJBADBCJVDG-UHFFFAOYSA-N 0 3 247.298 1.571 20 30 BDEDHN C=CCON=C([O-])Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841303855 587951200 /nfs/dbraw/zinc/95/12/00/587951200.db2.gz KYOLBRMTSZQLHH-UHFFFAOYSA-N 0 3 247.298 1.571 20 30 BDEDHN C#C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000841425048 587953841 /nfs/dbraw/zinc/95/38/41/587953841.db2.gz ZOSIYDLJZSBZSG-JSGCOSHPSA-N 0 3 244.338 1.817 20 30 BDEDHN CC[C@@H](O)CNN=Cc1ccc(N(C)C)cc1C ZINC000841638304 587964774 /nfs/dbraw/zinc/96/47/74/587964774.db2.gz BEBSNQWIAHENLU-CQSZACIVSA-N 0 3 249.358 1.755 20 30 BDEDHN Cc1cc(N(C)C)ccc1C=NN(C)C[C@@H](C)O ZINC000841648584 587966672 /nfs/dbraw/zinc/96/66/72/587966672.db2.gz OKLMXNKXBHHKSI-GFCCVEGCSA-N 0 3 249.358 1.708 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCC1(C#N)CCC1 ZINC000841895852 587982505 /nfs/dbraw/zinc/98/25/05/587982505.db2.gz DGBVWYDAMCPCLF-AAEUAGOBSA-N 0 3 233.359 1.753 20 30 BDEDHN C[C@H](CO)N(C)N=Cc1ccc(N(C)C)cc1 ZINC000842544407 588039179 /nfs/dbraw/zinc/03/91/79/588039179.db2.gz IADRWGSWQFOHGB-LLVKDONJSA-N 0 3 235.331 1.399 20 30 BDEDHN C#CC[C@H]1CCCN(CN2CCCC2=O)C1 ZINC000842629970 588046188 /nfs/dbraw/zinc/04/61/88/588046188.db2.gz UBBPVEGOHRXASP-LBPRGKRZSA-N 0 3 220.316 1.302 20 30 BDEDHN C#CC[C@H]1CCCN(CN2CC(C)(C)CC2=O)C1 ZINC000842630207 588047077 /nfs/dbraw/zinc/04/70/77/588047077.db2.gz ZVPJHDQUVLFDMC-ZDUSSCGKSA-N 0 3 248.370 1.938 20 30 BDEDHN C#Cc1cccc(CN[C@@H]2CO[C@@H](C)C2)c1 ZINC000842712539 588055199 /nfs/dbraw/zinc/05/51/99/588055199.db2.gz NXSPFUDMANQGME-FZMZJTMJSA-N 0 3 215.296 1.935 20 30 BDEDHN C=CCCc1noc(C[C@@H]2CSCCN2)n1 ZINC000843238499 588095528 /nfs/dbraw/zinc/09/55/28/588095528.db2.gz SCFHRTWJZGIIFW-SECBINFHSA-N 0 3 239.344 1.436 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCC1(COC)CC1 ZINC000843962483 588151755 /nfs/dbraw/zinc/15/17/55/588151755.db2.gz VBFILXCQTUPYHQ-UHFFFAOYSA-N 0 3 240.347 1.037 20 30 BDEDHN C#CCCCC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000843990662 588154153 /nfs/dbraw/zinc/15/41/53/588154153.db2.gz WVDVGADDHUKHIK-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN C#CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000844046808 588157569 /nfs/dbraw/zinc/15/75/69/588157569.db2.gz INLVKQZSMNYDEP-AWEZNQCLSA-N 0 3 246.354 1.485 20 30 BDEDHN C#CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000844045322 588157605 /nfs/dbraw/zinc/15/76/05/588157605.db2.gz HRIYCWFOXRMQQS-UHFFFAOYSA-N 0 3 248.370 1.590 20 30 BDEDHN C#CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000844045798 588157623 /nfs/dbraw/zinc/15/76/23/588157623.db2.gz PUEJGYMZWRIOFJ-BETUJISGSA-N 0 3 248.370 1.731 20 30 BDEDHN C#CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844348239 588186677 /nfs/dbraw/zinc/18/66/77/588186677.db2.gz WWUYVKKZXUQRCT-CYBMUJFWSA-N 0 3 248.326 1.315 20 30 BDEDHN C#CCCN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000844421251 588191509 /nfs/dbraw/zinc/19/15/09/588191509.db2.gz FHTMOMPUMGEHFI-MRXNPFEDSA-N 0 3 242.366 1.868 20 30 BDEDHN C=CCC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448427 588194272 /nfs/dbraw/zinc/19/42/72/588194272.db2.gz ABLAVIDEQIWBIV-BBBLOLIVSA-N 0 3 217.259 1.510 20 30 BDEDHN C=C[C@@H](C)ONC(=O)NCCN(C)CCCC ZINC000845635407 588238911 /nfs/dbraw/zinc/23/89/11/588238911.db2.gz YFBNBZNFUCQTMU-LLVKDONJSA-N 0 3 243.351 1.524 20 30 BDEDHN CC[C@H]1CN(C)CCCN1C(=O)C#CC(C)C ZINC000846976640 588299871 /nfs/dbraw/zinc/29/98/71/588299871.db2.gz YJHBADWIVWZJIK-ZDUSSCGKSA-N 0 3 236.359 1.589 20 30 BDEDHN C#C[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000847019652 588302303 /nfs/dbraw/zinc/30/23/03/588302303.db2.gz SKUARFJWWKWKHQ-NSHDSACASA-N 0 3 203.289 1.297 20 30 BDEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(CC)CC)C1 ZINC000847023378 588303059 /nfs/dbraw/zinc/30/30/59/588303059.db2.gz LTFKXTNURXXLGH-CHWSQXEVSA-N 0 3 236.359 1.589 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000847025281 588303798 /nfs/dbraw/zinc/30/37/98/588303798.db2.gz NNJDMSZSOQQVFT-OLZOCXBDSA-N 0 3 225.332 1.118 20 30 BDEDHN C#C[C@H]1CCCN(C[C@@H](O)COC(C)C)C1 ZINC000847025283 588303958 /nfs/dbraw/zinc/30/39/58/588303958.db2.gz NNJDMSZSOQQVFT-QWHCGFSZSA-N 0 3 225.332 1.118 20 30 BDEDHN N#CC(C(=O)CC1=CCCCC1)C(=O)NC1CC1 ZINC000106984567 588318465 /nfs/dbraw/zinc/31/84/65/588318465.db2.gz OHTVMOLQJMXYGP-LBPRGKRZSA-N 0 3 246.310 1.864 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCCC#N ZINC000847624286 588319019 /nfs/dbraw/zinc/31/90/19/588319019.db2.gz UCVOTBPDCNCBLZ-SNVBAGLBSA-N 0 3 233.271 1.081 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ncc(OC)s1 ZINC000848038703 588349289 /nfs/dbraw/zinc/34/92/89/588349289.db2.gz NNKBPZRBHVLDOA-UHFFFAOYSA-N 0 3 241.316 1.208 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC)C(C)C ZINC000848291774 588370755 /nfs/dbraw/zinc/37/07/55/588370755.db2.gz FDCOKBANDHHHCM-UHFFFAOYSA-N 0 3 212.337 1.751 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCC1CC1 ZINC000848292800 588371408 /nfs/dbraw/zinc/37/14/08/588371408.db2.gz TWXHYDLNXMJDDF-UHFFFAOYSA-N 0 3 210.321 1.411 20 30 BDEDHN C[C@H](C#N)CNC(=N)Nc1ccccn1 ZINC000849004101 588431574 /nfs/dbraw/zinc/43/15/74/588431574.db2.gz XUNBODDYRKXWDI-MRVPVSSYSA-N 0 3 203.249 1.178 20 30 BDEDHN C[NH+]=C(NCc1ccc(OC)cc1[O-])NC1CC1 ZINC000849025228 588440393 /nfs/dbraw/zinc/44/03/93/588440393.db2.gz VAVIQKMBTIEAGR-UHFFFAOYSA-N 0 3 249.314 1.228 20 30 BDEDHN C=CCNC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000849082516 588452431 /nfs/dbraw/zinc/45/24/31/588452431.db2.gz YTQSWTBJAVIQHE-UHFFFAOYSA-N 0 3 223.251 1.331 20 30 BDEDHN CO[C@@H](CN1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000851740000 588621375 /nfs/dbraw/zinc/62/13/75/588621375.db2.gz KFGKZMBXBNDBAD-OLZOCXBDSA-N 0 3 238.331 1.273 20 30 BDEDHN C#CCOCCN(CCO)Cc1ccccc1 ZINC000851750932 588623011 /nfs/dbraw/zinc/62/30/11/588623011.db2.gz LSMBFUKQIYJCEL-UHFFFAOYSA-N 0 3 233.311 1.131 20 30 BDEDHN C#CCOCCN1CCC[C@@H](n2ccnc2)C1 ZINC000851752531 588623891 /nfs/dbraw/zinc/62/38/91/588623891.db2.gz DFANVLANVCGJEC-CYBMUJFWSA-N 0 3 233.315 1.170 20 30 BDEDHN C#CCOCCN1CCC(OC(C)C)CC1 ZINC000851763908 588624644 /nfs/dbraw/zinc/62/46/44/588624644.db2.gz YKSVDSWKOKTMTQ-UHFFFAOYSA-N 0 3 225.332 1.526 20 30 BDEDHN C#CCOCCN1CCC[C@H]1c1ccc[nH]1 ZINC000851824511 588633712 /nfs/dbraw/zinc/63/37/12/588633712.db2.gz UXAUHVGYKWAZNP-ZDUSSCGKSA-N 0 3 218.300 1.801 20 30 BDEDHN C#CCOCCN[C@H](CCO)c1ccccc1 ZINC000851893480 588641321 /nfs/dbraw/zinc/64/13/21/588641321.db2.gz ASXCNEDPKLNCGN-CQSZACIVSA-N 0 3 233.311 1.350 20 30 BDEDHN C[C@@H](NC[C@H]1CCC(=O)O1)c1cccc(C#N)c1 ZINC000851900123 588641915 /nfs/dbraw/zinc/64/19/15/588641915.db2.gz PLDSOEIALGVMBE-ZWNOBZJWSA-N 0 3 244.294 1.914 20 30 BDEDHN C#CC(C)(C)N(C)C[C@H](OC)[C@@H]1CCOC1 ZINC000851986571 588651631 /nfs/dbraw/zinc/65/16/31/588651631.db2.gz LLLUBDZPWUBVBO-NEPJUHHUSA-N 0 3 225.332 1.382 20 30 BDEDHN C#CCOCCN1CC[C@H](c2ccncc2)C1 ZINC000852058948 588658080 /nfs/dbraw/zinc/65/80/80/588658080.db2.gz QKOYQSREDOOKMC-AWEZNQCLSA-N 0 3 230.311 1.521 20 30 BDEDHN C#CCOCCN1CCC(F)(F)[C@H](C)C1 ZINC000852058224 588658265 /nfs/dbraw/zinc/65/82/65/588658265.db2.gz VTHTXMXKCNOLAK-SNVBAGLBSA-N 0 3 217.259 1.613 20 30 BDEDHN C#C[C@](C)(CC)NCC(=O)N1CCC[C@H](C)C1 ZINC000852097154 588662234 /nfs/dbraw/zinc/66/22/34/588662234.db2.gz MKLRRMBQOPYEFF-GXTWGEPZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#C[C@@](C)(CC)NCCO[C@@H]1CCCCO1 ZINC000852100487 588662884 /nfs/dbraw/zinc/66/28/84/588662884.db2.gz HGPUCSPWUKYRID-OLZOCXBDSA-N 0 3 225.332 1.921 20 30 BDEDHN C#C[C@](C)(CC)NCCc1nc(C(C)=O)c(C)[nH]1 ZINC000852101156 588662977 /nfs/dbraw/zinc/66/29/77/588662977.db2.gz NAUTXPSEQPKBAB-CQSZACIVSA-N 0 3 247.342 1.855 20 30 BDEDHN C#C[C@](C)(CC)NCCC(=O)N1CCCC1 ZINC000852104038 588663685 /nfs/dbraw/zinc/66/36/85/588663685.db2.gz ZCQCZEOOTUFJQE-CYBMUJFWSA-N 0 3 222.332 1.390 20 30 BDEDHN C=CCN1CCC(NC(=O)N[C@H]2C=CCC2)CC1 ZINC000852127938 588665691 /nfs/dbraw/zinc/66/56/91/588665691.db2.gz ZCBPFOZTPAYLPQ-LBPRGKRZSA-N 0 3 249.358 1.655 20 30 BDEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1 ZINC000852205958 588671663 /nfs/dbraw/zinc/67/16/63/588671663.db2.gz BICSIUJHDNSEAW-UKRRQHHQSA-N 0 3 244.338 1.850 20 30 BDEDHN C#CCOCCN1CC[C@H](c2cccnc2)C1 ZINC000852206725 588671687 /nfs/dbraw/zinc/67/16/87/588671687.db2.gz QISICNZBPYAMLS-AWEZNQCLSA-N 0 3 230.311 1.521 20 30 BDEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000852262190 588674853 /nfs/dbraw/zinc/67/48/53/588674853.db2.gz HEMCQWFTMVSTJP-GHMZBOCLSA-N 0 3 237.347 1.180 20 30 BDEDHN C#CCN(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308892 588677705 /nfs/dbraw/zinc/67/77/05/588677705.db2.gz QUUHAIHFJUKOJS-UHFFFAOYSA-N 0 3 240.347 1.855 20 30 BDEDHN C=CCN(C[C@@H]1COC(C)(C)O1)[C@H](C)COC ZINC000852356348 588679455 /nfs/dbraw/zinc/67/94/55/588679455.db2.gz BSQQXUKMWWAZSR-VXGBXAGGSA-N 0 3 243.347 1.661 20 30 BDEDHN C=CCN(C[C@@H](O)C1CC1)[C@@H](C)COC ZINC000852356332 588679532 /nfs/dbraw/zinc/67/95/32/588679532.db2.gz BNLFAPZEXJRCGQ-CMPLNLGQSA-N 0 3 213.321 1.280 20 30 BDEDHN C#CCNC(=O)CN1CCCC2(CCCC2)CC1 ZINC000852354404 588679673 /nfs/dbraw/zinc/67/96/73/588679673.db2.gz OCBBUYLBYNKXOR-UHFFFAOYSA-N 0 3 248.370 1.782 20 30 BDEDHN C=CC[C@H]1CCCN(CC(=O)N(C)OC)C1 ZINC000852410149 588681308 /nfs/dbraw/zinc/68/13/08/588681308.db2.gz JBZGVXFDLDOLIC-NSHDSACASA-N 0 3 226.320 1.294 20 30 BDEDHN C#CCCN1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000852652443 588693948 /nfs/dbraw/zinc/69/39/48/588693948.db2.gz WCEJMWFGDXTCKL-WDEREUQCSA-N 0 3 209.289 1.141 20 30 BDEDHN C=C[C@H](CO)NCCOc1cccc(F)c1 ZINC000852714565 588697665 /nfs/dbraw/zinc/69/76/65/588697665.db2.gz VFPWBGRNUYWGMT-LLVKDONJSA-N 0 3 225.263 1.341 20 30 BDEDHN C=C(Cl)CN1CCNC[C@H]1C(F)F ZINC000852748726 588699504 /nfs/dbraw/zinc/69/95/04/588699504.db2.gz BLFPSAWAGHLNDO-ZETCQYMHSA-N 0 3 210.655 1.278 20 30 BDEDHN C#CCCN(CCOC)CCc1cncs1 ZINC000852750324 588699891 /nfs/dbraw/zinc/69/98/91/588699891.db2.gz QFVLKLXSENNIBP-UHFFFAOYSA-N 0 3 238.356 1.657 20 30 BDEDHN C#CCCN(CCOC)CCOCC1CCC1 ZINC000852750365 588700102 /nfs/dbraw/zinc/70/01/02/588700102.db2.gz RUURSMACFHRKNW-UHFFFAOYSA-N 0 3 239.359 1.775 20 30 BDEDHN C#CCNC(=O)[C@H](C)N(C)C[C@H]1CC1(C)C ZINC000852773895 588702040 /nfs/dbraw/zinc/70/20/40/588702040.db2.gz ITSPATLCYFYTCQ-WDEREUQCSA-N 0 3 222.332 1.102 20 30 BDEDHN Cc1c(F)nccc1CNCCCC#N ZINC000862317871 589200522 /nfs/dbraw/zinc/20/05/22/589200522.db2.gz LFWSWFVSTJOCCU-UHFFFAOYSA-N 0 3 207.252 1.923 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cnn(C=C)c2)C1 ZINC000862445681 589214892 /nfs/dbraw/zinc/21/48/92/589214892.db2.gz ZNUIQWDULDOSAB-LBPRGKRZSA-N 0 3 215.300 1.829 20 30 BDEDHN C=CCC[C@@H](C)NCC(=O)N(CC)OCC ZINC000862452402 589215337 /nfs/dbraw/zinc/21/53/37/589215337.db2.gz KJFYTMODYDMUOV-LLVKDONJSA-N 0 3 228.336 1.731 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](CO)CCC(C)C ZINC000862777776 589241080 /nfs/dbraw/zinc/24/10/80/589241080.db2.gz AFGAEYFJAAIPOI-GFCCVEGCSA-N 0 3 242.363 1.018 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC[C@H]1CC=CCC1 ZINC000862949071 589248255 /nfs/dbraw/zinc/24/82/55/589248255.db2.gz WRPWRJUCBDSINI-ZDUSSCGKSA-N 0 3 236.359 1.967 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863029214 589252623 /nfs/dbraw/zinc/25/26/23/589252623.db2.gz BKURIFMZIXCFTQ-AWEZNQCLSA-N 0 3 248.370 1.779 20 30 BDEDHN Cc1cc(N=NC2CCN3CCC[C@@H]23)ccn1 ZINC000863159381 589264101 /nfs/dbraw/zinc/26/41/01/589264101.db2.gz ONDUGPGEIUPNLQ-ZDUSSCGKSA-N 0 3 230.315 1.448 20 30 BDEDHN Cc1nc(C)c(C=NNc2ccnc(C)c2)o1 ZINC000863159446 589264119 /nfs/dbraw/zinc/26/41/19/589264119.db2.gz RHZJOKULTWKXQG-UHFFFAOYSA-N 0 3 230.271 1.863 20 30 BDEDHN Cc1cc(N=NC2CN(C3CC3)C[C@H]2C)ccn1 ZINC000863159093 589264125 /nfs/dbraw/zinc/26/41/25/589264125.db2.gz CJRAVDWZVDONBJ-SNVBAGLBSA-N 0 3 244.342 1.694 20 30 BDEDHN Cc1cnn(C)c1C=NNc1ccnc(C)c1 ZINC000863159042 589264179 /nfs/dbraw/zinc/26/41/79/589264179.db2.gz AFIZFWOERZJYKB-UHFFFAOYSA-N 0 3 229.287 1.300 20 30 BDEDHN CC(=NNc1ccnc(C)c1)c1cc(C)nn1C ZINC000863159314 589264370 /nfs/dbraw/zinc/26/43/70/589264370.db2.gz LOBQQBYRFSPJSM-UHFFFAOYSA-N 0 3 243.314 1.690 20 30 BDEDHN Cn1c(=O)ccc2c1CCCC2=Nn1cccn1 ZINC000863163852 589266326 /nfs/dbraw/zinc/26/63/26/589266326.db2.gz QYPJSGDPUNEEDY-UHFFFAOYSA-N 0 3 242.282 1.171 20 30 BDEDHN C#CC[C@H](COC)NC[C@H](O)Cc1ccccc1 ZINC000863589613 589302793 /nfs/dbraw/zinc/30/27/93/589302793.db2.gz SKBILMKXHVKJLK-HUUCEWRRSA-N 0 3 247.338 1.218 20 30 BDEDHN C=CCN(C(=O)CN(C)C1CCC1)C(C)C ZINC000863943076 589328477 /nfs/dbraw/zinc/32/84/77/589328477.db2.gz MVRPKPRWFNYQCL-UHFFFAOYSA-N 0 3 224.348 1.894 20 30 BDEDHN C[C@H](CNC(=O)c1coc(C#N)c1)N(C)C1CC1 ZINC000865143303 589411038 /nfs/dbraw/zinc/41/10/38/589411038.db2.gz UWWABICOFFWRAT-SECBINFHSA-N 0 3 247.298 1.364 20 30 BDEDHN CCCn1cc(CNCCCCC#N)nn1 ZINC000865448857 589436592 /nfs/dbraw/zinc/43/65/92/589436592.db2.gz ORCYOIDZCAZWMJ-UHFFFAOYSA-N 0 3 221.308 1.472 20 30 BDEDHN C[C@@H](CCO)NCc1cc(C#N)ccc1N(C)C ZINC000865470291 589438805 /nfs/dbraw/zinc/43/88/05/589438805.db2.gz DDTTZPRVILBGBD-NSHDSACASA-N 0 3 247.342 1.485 20 30 BDEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CCOC1 ZINC000865507604 589442337 /nfs/dbraw/zinc/44/23/37/589442337.db2.gz BNXPXPXRWQXLOL-ZDUSSCGKSA-N 0 3 245.326 1.503 20 30 BDEDHN C=CCOCCNCc1cnc2c(cnn2C)c1 ZINC000865523481 589442623 /nfs/dbraw/zinc/44/26/23/589442623.db2.gz CDRMFXCETRMRHG-UHFFFAOYSA-N 0 3 246.314 1.261 20 30 BDEDHN CC[C@H](CN(C)C)OC(=O)c1cc(C#N)[nH]c1C ZINC000870547505 589673157 /nfs/dbraw/zinc/67/31/57/589673157.db2.gz IKRITOSQDWEPCM-LLVKDONJSA-N 0 3 249.314 1.692 20 30 BDEDHN CC[C@H](CN(C)C)OC(=O)[C@@H](C)CC#N ZINC000870549362 589673502 /nfs/dbraw/zinc/67/35/02/589673502.db2.gz XQGWDZPVMPKQGY-VHSXEESVSA-N 0 3 212.293 1.420 20 30 BDEDHN C#CCO[C@H](C)C(=O)O[C@H](CN(C)C)C(C)C ZINC000870567689 589676227 /nfs/dbraw/zinc/67/62/27/589676227.db2.gz TVWNOGYPZJVCNM-VXGBXAGGSA-N 0 3 241.331 1.154 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000870671745 589682247 /nfs/dbraw/zinc/68/22/47/589682247.db2.gz QQXVAGBHGXMHMW-RYUDHWBXSA-N 0 3 235.331 1.255 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@H](OC)CC[C@@H]1C ZINC000870726880 589687373 /nfs/dbraw/zinc/68/73/73/589687373.db2.gz YXYHZNGNXGEWKZ-NWDGAFQWSA-N 0 3 240.347 1.130 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871158458 589741535 /nfs/dbraw/zinc/74/15/35/589741535.db2.gz COTJUNCIFXGIGZ-LLVKDONJSA-N 0 3 237.347 1.479 20 30 BDEDHN CCCC(=NNC(=N)N)c1cc(C)ccn1 ZINC000872341221 589914713 /nfs/dbraw/zinc/91/47/13/589914713.db2.gz IHRDMZUXBONEOG-UHFFFAOYSA-N 0 3 219.292 1.377 20 30 BDEDHN CCNc1ccccc1C=NN(C)C[C@@H](C)O ZINC000872385440 589929582 /nfs/dbraw/zinc/92/95/82/589929582.db2.gz HCTFSTJZAVJUGE-LLVKDONJSA-N 0 3 235.331 1.765 20 30 BDEDHN COc1ccc(CNCC(C)(C)CO)cc1C#N ZINC000124307745 589974210 /nfs/dbraw/zinc/97/42/10/589974210.db2.gz AMFSKIXJALVAFL-UHFFFAOYSA-N 0 3 248.326 1.675 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cnn(CC)c1C ZINC000874815888 590140294 /nfs/dbraw/zinc/14/02/94/590140294.db2.gz PMASCZDJFPSTLF-UHFFFAOYSA-N 0 3 236.319 1.268 20 30 BDEDHN C=C(Br)CN[C@H](COC)C1CC1 ZINC000125167652 590143598 /nfs/dbraw/zinc/14/35/98/590143598.db2.gz QLELOZQNNHTSKM-SECBINFHSA-N 0 3 234.137 1.910 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000876545179 590213070 /nfs/dbraw/zinc/21/30/70/590213070.db2.gz CJGIWCMWVLJKCD-KKZNHRDASA-N 0 3 244.766 1.961 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCCC1 ZINC000876546940 590214306 /nfs/dbraw/zinc/21/43/06/590214306.db2.gz AXASEGXPRWOXKQ-VIFPVBQESA-N 0 3 216.712 1.515 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)nn1C ZINC000876552121 590214949 /nfs/dbraw/zinc/21/49/49/590214949.db2.gz JXBIFLUWUORHPO-MRVPVSSYSA-N 0 3 242.710 1.137 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCC ZINC000876578163 590217985 /nfs/dbraw/zinc/21/79/85/590217985.db2.gz DJCKKUNJHPHSCU-VIFPVBQESA-N 0 3 218.728 1.715 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](OC)C1 ZINC000876601641 590220703 /nfs/dbraw/zinc/22/07/03/590220703.db2.gz WXXXFLPOSYRTSB-NXEZZACHSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C)CCCC1 ZINC000876604218 590221324 /nfs/dbraw/zinc/22/13/24/590221324.db2.gz HVAYMOQLALINQX-SECBINFHSA-N 0 3 230.739 1.905 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCCOC ZINC000876628773 590223688 /nfs/dbraw/zinc/22/36/88/590223688.db2.gz VCXJXLQZZQUPTD-SNVBAGLBSA-N 0 3 248.754 1.389 20 30 BDEDHN C=C[C@@H](C)NC(=O)[C@@H](N)CC(=C)Cl ZINC000876668691 590228372 /nfs/dbraw/zinc/22/83/72/590228372.db2.gz NYDZJTKXSIEIGK-SFYZADRCSA-N 0 3 202.685 1.147 20 30 BDEDHN C=CCCCN(C)C(=O)[C@@H](N)CC(=C)Cl ZINC000876672545 590228773 /nfs/dbraw/zinc/22/87/73/590228773.db2.gz NVKZHCHNWDWENJ-JTQLQIEISA-N 0 3 230.739 1.881 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000876670243 590228885 /nfs/dbraw/zinc/22/88/85/590228885.db2.gz IKXQKLWKQYVERI-KHQFGBGNSA-N 0 3 230.739 1.571 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CSC ZINC000876674103 590229298 /nfs/dbraw/zinc/22/92/98/590229298.db2.gz ZMRHQVOYLWACAS-HTQZYQBOSA-N 0 3 236.768 1.324 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](COC)C(C)C ZINC000876678278 590230001 /nfs/dbraw/zinc/23/00/01/590230001.db2.gz ZLXOZCZGDSVXMU-VHSXEESVSA-N 0 3 248.754 1.244 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C(C)C)C1 ZINC000876704871 590230729 /nfs/dbraw/zinc/23/07/29/590230729.db2.gz SPNBEXGZQAKDMD-WDEREUQCSA-N 0 3 244.766 1.961 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](OC)C(C)C ZINC000876693254 590231415 /nfs/dbraw/zinc/23/14/15/590231415.db2.gz CDBZDJJNVTVDRF-ZJUUUORDSA-N 0 3 248.754 1.244 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)SC ZINC000876805631 590238789 /nfs/dbraw/zinc/23/87/89/590238789.db2.gz DGMKTKIUPXMPOY-JGVFFNPUSA-N 0 3 236.768 1.324 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1cccnc1 ZINC000876762868 590238811 /nfs/dbraw/zinc/23/88/11/590238811.db2.gz ASZBUOFCOWONPV-SNVBAGLBSA-N 0 3 239.706 1.514 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccco1 ZINC000876788043 590240887 /nfs/dbraw/zinc/24/08/87/590240887.db2.gz XHOZSXDBFZYTFF-VIFPVBQESA-N 0 3 228.679 1.366 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000876882519 590253024 /nfs/dbraw/zinc/25/30/24/590253024.db2.gz KDFREDYDODFWQN-GUBZILKMSA-N 0 3 246.738 1.140 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCC1CC1 ZINC000876903449 590255519 /nfs/dbraw/zinc/25/55/19/590255519.db2.gz ULOFWGXEJKKLQH-SNVBAGLBSA-N 0 3 230.739 1.715 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cnn1C ZINC000876958401 590261527 /nfs/dbraw/zinc/26/15/27/590261527.db2.gz BMQRVSMZYXHHMY-MRVPVSSYSA-N 0 3 242.710 1.137 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000876972938 590263226 /nfs/dbraw/zinc/26/32/26/590263226.db2.gz SQVGLEBFKXWBGH-GUBZILKMSA-N 0 3 228.723 1.325 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CC=CC1 ZINC000876997979 590266933 /nfs/dbraw/zinc/26/69/33/590266933.db2.gz AXDBFRBJEUAPLV-JTQLQIEISA-N 0 3 228.723 1.539 20 30 BDEDHN C=CCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877185093 590298638 /nfs/dbraw/zinc/29/86/38/590298638.db2.gz PJNMYWIVUIYCTE-UHFFFAOYSA-N 0 3 221.300 1.993 20 30 BDEDHN C#C[C@H](NC1CC(n2cccn2)C1)[C@@H]1CCCO1 ZINC000877416728 590324791 /nfs/dbraw/zinc/32/47/91/590324791.db2.gz KZINSYAFKMNSHG-HOAMVYINSA-N 0 3 245.326 1.357 20 30 BDEDHN N#Cc1cccc(CNC[C@H]2CCC=CO2)n1 ZINC000877460681 590331200 /nfs/dbraw/zinc/33/12/00/590331200.db2.gz WIPGNAAHBAHYFO-CYBMUJFWSA-N 0 3 229.283 1.736 20 30 BDEDHN C#C[C@H](CC)NC[C@@H](OC)[C@H]1CCOC1 ZINC000877512927 590344278 /nfs/dbraw/zinc/34/42/78/590344278.db2.gz GHPLFNYTPYJDML-QJPTWQEYSA-N 0 3 211.305 1.039 20 30 BDEDHN C#C[C@@H](C)NCc1cnc2c(cnn2C)c1 ZINC000877513518 590344350 /nfs/dbraw/zinc/34/43/50/590344350.db2.gz AMCVJKISNNNTBC-SECBINFHSA-N 0 3 214.272 1.080 20 30 BDEDHN C#C[C@H](NCc1ccc(=O)[nH]c1)C(C)(C)C ZINC000877534640 590349991 /nfs/dbraw/zinc/34/99/91/590349991.db2.gz MAFMMMGMOSVCBR-NSHDSACASA-N 0 3 218.300 1.925 20 30 BDEDHN C=CC[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000877902197 590443693 /nfs/dbraw/zinc/44/36/93/590443693.db2.gz IOPWNSSIRCPIAK-KBPBESRZSA-N 0 3 238.375 1.748 20 30 BDEDHN C=CC[C@H](C)N1CCN(CCOC(C)C)CC1 ZINC000878155399 590508677 /nfs/dbraw/zinc/50/86/77/590508677.db2.gz AGOPNHAUBIDWKW-AWEZNQCLSA-N 0 3 240.391 1.994 20 30 BDEDHN C#CCN(CC)CCCOC(F)(F)F ZINC000878167704 590513561 /nfs/dbraw/zinc/51/35/61/590513561.db2.gz YAUOYFFVLWTKCM-UHFFFAOYSA-N 0 3 209.211 1.868 20 30 BDEDHN C#CCN(CC)C[C@@H](O)CC1(CO)CCCC1 ZINC000878167046 590514167 /nfs/dbraw/zinc/51/41/67/590514167.db2.gz MMGNRVZIWMLKEX-ZDUSSCGKSA-N 0 3 239.359 1.245 20 30 BDEDHN C=CC[C@H](C)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000878185344 590518706 /nfs/dbraw/zinc/51/87/06/590518706.db2.gz HOBQPPQUPPXXHK-YNEHKIRRSA-N 0 3 225.332 1.831 20 30 BDEDHN C=C(C)CN(C)C[C@H](O)CC1(O)CCCCC1 ZINC000878383206 590557779 /nfs/dbraw/zinc/55/77/79/590557779.db2.gz LIRLQCYXDDMXCJ-CYBMUJFWSA-N 0 3 241.375 1.941 20 30 BDEDHN C=CC[C@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000878423790 590565546 /nfs/dbraw/zinc/56/55/46/590565546.db2.gz WLWARFNJGYDNFV-GXSJLCMTSA-N 0 3 209.293 1.008 20 30 BDEDHN C#CCCCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000878451376 590569179 /nfs/dbraw/zinc/56/91/79/590569179.db2.gz BDAYBFKHCRQWSB-UHFFFAOYSA-N 0 3 245.326 1.734 20 30 BDEDHN C#C[C@@H](NCc1cc[nH]c(=O)c1)[C@H]1CCCO1 ZINC000878452653 590569335 /nfs/dbraw/zinc/56/93/35/590569335.db2.gz CSNAUDQAKNOFRX-VXGBXAGGSA-N 0 3 232.283 1.058 20 30 BDEDHN C#C[C@H](NCC/C=C/C=C)[C@H]1CCCO1 ZINC000878453570 590569498 /nfs/dbraw/zinc/56/94/98/590569498.db2.gz MHFROLLJIMPUJK-JQSFKPKSSA-N 0 3 205.301 1.889 20 30 BDEDHN C#C[C@@H](NCC1(CC#N)CC1)[C@H]1CCCO1 ZINC000878452924 590569917 /nfs/dbraw/zinc/56/99/17/590569917.db2.gz FGZLZKDROUMEAD-VXGBXAGGSA-N 0 3 218.300 1.451 20 30 BDEDHN C=CCN(C)C[C@H](O)CC1(CO)CCCC1 ZINC000878461976 590572183 /nfs/dbraw/zinc/57/21/83/590572183.db2.gz QFLMHVGEECNRFZ-GFCCVEGCSA-N 0 3 227.348 1.408 20 30 BDEDHN C#C[C@H](C)N(C)C[C@H]1CC2(CCC2)CO1 ZINC000878517979 590585458 /nfs/dbraw/zinc/58/54/58/590585458.db2.gz XESGXEAAWFUTAG-NWDGAFQWSA-N 0 3 207.317 1.899 20 30 BDEDHN C=C/C=C\CCN(C)[C@@H]1CCN(CC=C)C1=O ZINC000878550088 590590577 /nfs/dbraw/zinc/59/05/77/590590577.db2.gz PIFOTCYUAPRNPB-FMFIFOJESA-N 0 3 234.343 1.837 20 30 BDEDHN C#C[C@](C)(CC)NC[C@@H](O)CC1(O)CCCC1 ZINC000878661670 590604284 /nfs/dbraw/zinc/60/42/84/590604284.db2.gz GVOITDWJIWANPN-QWHCGFSZSA-N 0 3 239.359 1.434 20 30 BDEDHN C=CC[C@H](C)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771219 590620635 /nfs/dbraw/zinc/62/06/35/590620635.db2.gz GEPVUFRBQZRTQI-AVGNSLFASA-N 0 3 221.348 1.869 20 30 BDEDHN C=CCN(CC[C@H](O)C(C)C)[C@H](C)COC ZINC000878890293 590642427 /nfs/dbraw/zinc/64/24/27/590642427.db2.gz ZQMCEKMSGCWZIJ-OLZOCXBDSA-N 0 3 229.364 1.916 20 30 BDEDHN C#CCN(CCCc1cncn1C)C1CSC1 ZINC000878910469 590646659 /nfs/dbraw/zinc/64/66/59/590646659.db2.gz NGSUAFGQPFFEGO-UHFFFAOYSA-N 0 3 249.383 1.403 20 30 BDEDHN C=C(C)[C@H](CO)N(C)CCc1cccc(C#N)c1 ZINC000879433543 590768718 /nfs/dbraw/zinc/76/87/18/590768718.db2.gz WOGGAAHAMMLRSH-HNNXBMFYSA-N 0 3 244.338 1.970 20 30 BDEDHN CC#CCCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486335 590778899 /nfs/dbraw/zinc/77/88/99/590778899.db2.gz LYWBACBJLZDZFB-CYBMUJFWSA-N 0 3 234.343 1.376 20 30 BDEDHN CC(C)[C@H]1CN(CCO[C@@H](C)C#N)CCN1C ZINC000879601716 590826678 /nfs/dbraw/zinc/82/66/78/590826678.db2.gz RUZUAGMELGASGG-QWHCGFSZSA-N 0 3 239.363 1.187 20 30 BDEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653021 590844041 /nfs/dbraw/zinc/84/40/41/590844041.db2.gz KEVCQIHLGZFQHD-WDEREUQCSA-N 0 3 246.310 1.181 20 30 BDEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](CF)C1 ZINC000880291152 590986275 /nfs/dbraw/zinc/98/62/75/590986275.db2.gz BYUNGAGTSMATMP-MNOVXSKESA-N 0 3 241.310 1.038 20 30 BDEDHN CO[C@@H]1COCC[C@H]1N(C)CCCC#N ZINC000880425462 591030050 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NBTSJTVBRNALEO-PEBLQZBPSA-N 0 3 246.354 1.245 20 30 BDEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000989437576 636834897 /nfs/dbraw/zinc/83/48/97/636834897.db2.gz FZYHGKAIMLJALW-WCQYABFASA-N 0 3 246.354 1.389 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000083607869 636873199 /nfs/dbraw/zinc/87/31/99/636873199.db2.gz CRTBWYJTPRNRHF-CYBMUJFWSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN1CC[C@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC000989884727 636894083 /nfs/dbraw/zinc/89/40/83/636894083.db2.gz USPDVBXVDYZBTP-GXTWGEPZSA-N 0 3 232.327 1.143 20 30 BDEDHN C[C@@H](N[C@H]1CCCN(C)C1)c1cc(C#N)ccn1 ZINC000902761098 637333864 /nfs/dbraw/zinc/33/38/64/637333864.db2.gz KEDZTXRCLJXWHG-YPMHNXCESA-N 0 3 244.342 1.698 20 30 BDEDHN CCN1CC[C@H]1CNC[C@@H](C#N)CCC#N ZINC000905805355 637934627 /nfs/dbraw/zinc/93/46/27/637934627.db2.gz XFXPOFICODKXIY-NEPJUHHUSA-N 0 3 220.320 1.114 20 30 BDEDHN CC(C)(C(=O)N1CC(C#N)C1)N1CCCCC1 ZINC000908399268 638696357 /nfs/dbraw/zinc/69/63/57/638696357.db2.gz OQISJJXYAFCNJB-UHFFFAOYSA-N 0 3 235.331 1.233 20 30 BDEDHN C#CCN(C)CCCNC(=O)C1(C2CC2)CC1 ZINC000908436156 638714780 /nfs/dbraw/zinc/71/47/80/638714780.db2.gz CHVPGRWFSQMDBC-UHFFFAOYSA-N 0 3 234.343 1.248 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911661545 639695442 /nfs/dbraw/zinc/69/54/42/639695442.db2.gz WQOLFMFFBCWWIH-GFCCVEGCSA-N 0 3 233.315 1.891 20 30 BDEDHN C#CC[C@@H]1CCCN(Cc2nn(C)cc2C)C1 ZINC000930816958 639917760 /nfs/dbraw/zinc/91/77/60/639917760.db2.gz RXQSUYLAJDHILN-CYBMUJFWSA-N 0 3 231.343 1.964 20 30 BDEDHN C#CC1CCN(Cc2cc(C)nnc2C)CC1 ZINC000930822114 639923525 /nfs/dbraw/zinc/92/35/25/639923525.db2.gz LFWNZUHZUFNSOF-UHFFFAOYSA-N 0 3 229.327 1.939 20 30 BDEDHN C=CCCCN1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000930829823 639930932 /nfs/dbraw/zinc/93/09/32/639930932.db2.gz CKGNNBYBCVQZKD-GARJFASQSA-N 0 3 210.321 1.550 20 30 BDEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1CCCO1 ZINC000912209093 639993716 /nfs/dbraw/zinc/99/37/16/639993716.db2.gz VWOMDONMAWHXKV-NEPJUHHUSA-N 0 3 240.347 1.355 20 30 BDEDHN C=CCCC[C@H](N)C(=O)NCCC(F)(F)F ZINC000912265371 640009260 /nfs/dbraw/zinc/00/92/60/640009260.db2.gz KPDZPZGDKOENRF-QMMMGPOBSA-N 0 3 238.253 1.739 20 30 BDEDHN C[C@]1(NC(=O)C#CC2CC2)CN2CCC1CC2 ZINC000912374696 640044449 /nfs/dbraw/zinc/04/44/49/640044449.db2.gz QFWUKDBJKGJCKG-AWEZNQCLSA-N 0 3 232.327 1.000 20 30 BDEDHN C#CC1(O)CCN([C@@H](C)c2ccccn2)CC1 ZINC000931148307 640077586 /nfs/dbraw/zinc/07/75/86/640077586.db2.gz VKRXJJMGOIPWOY-LBPRGKRZSA-N 0 3 230.311 1.603 20 30 BDEDHN C#CC1(O)CCN(CCc2cccc(F)c2)CC1 ZINC000931154328 640079914 /nfs/dbraw/zinc/07/99/14/640079914.db2.gz SONXYKSNHSNTID-UHFFFAOYSA-N 0 3 247.313 1.828 20 30 BDEDHN C=CC[C@@H](C)N1CCc2c(n(C)[nH]c2=O)C1 ZINC000931190127 640097539 /nfs/dbraw/zinc/09/75/39/640097539.db2.gz GMFQRCLBJRVZNV-SECBINFHSA-N 0 3 221.304 1.448 20 30 BDEDHN C#CCCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912910170 640237774 /nfs/dbraw/zinc/23/77/74/640237774.db2.gz LRZOSXLOLCEOAW-LBPRGKRZSA-N 0 3 220.316 1.097 20 30 BDEDHN CC(C)(C#N)CCN1CCc2nccc(N)c2C1 ZINC000931514539 640242379 /nfs/dbraw/zinc/24/23/79/640242379.db2.gz AKMGFHLQARBLCX-UHFFFAOYSA-N 0 3 244.342 1.962 20 30 BDEDHN N#C[C@@H]1CC[C@H](N2CCc3nccc(N)c3C2)C1 ZINC000931518095 640244870 /nfs/dbraw/zinc/24/48/70/640244870.db2.gz HFVBAEULTMLKFR-MNOVXSKESA-N 0 3 242.326 1.714 20 30 BDEDHN C#CC[C@H]1CCN(Cc2[nH]nc3c2COCC3)C1 ZINC000931714883 640334915 /nfs/dbraw/zinc/33/49/15/640334915.db2.gz LVIFVBJHGQLYPH-NSHDSACASA-N 0 3 245.326 1.328 20 30 BDEDHN CC#CCN1CC[C@H](NC(=O)C(C)C)C[C@@H]1C ZINC000947071154 640371085 /nfs/dbraw/zinc/37/10/85/640371085.db2.gz QEPCQOWSRYVEQR-STQMWFEESA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCN1CC[C@@H](NC(=O)C(C)C)C[C@H]1C ZINC000947074338 640404450 /nfs/dbraw/zinc/40/44/50/640404450.db2.gz AWYGSZOBJLPPOL-VXGBXAGGSA-N 0 3 222.332 1.245 20 30 BDEDHN C[C@H](C#N)C(=O)NC[C@H](C)N1CCCCC1 ZINC000045008498 640487837 /nfs/dbraw/zinc/48/78/37/640487837.db2.gz FLABYRAFGORPEH-MNOVXSKESA-N 0 3 223.320 1.137 20 30 BDEDHN COc1ccc([C@H](C)NC[C@H](O)CC#N)cc1C ZINC000932569854 640578351 /nfs/dbraw/zinc/57/83/51/640578351.db2.gz LPCYWWFFFYYZCE-WCQYABFASA-N 0 3 248.326 1.929 20 30 BDEDHN CCOC(=O)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000932639630 640592908 /nfs/dbraw/zinc/59/29/08/640592908.db2.gz ADKPCFIRFFYFFR-LLVKDONJSA-N 0 3 236.315 1.565 20 30 BDEDHN CC#CCCN1CCOC[C@@H]1CC1CC1 ZINC000933209876 640679355 /nfs/dbraw/zinc/67/93/55/640679355.db2.gz QYFVXLCKJOBYKV-ZDUSSCGKSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933693307 640743340 /nfs/dbraw/zinc/74/33/40/640743340.db2.gz UDMIOVNCQASNIP-ZIAGYGMSSA-N 0 3 237.343 1.670 20 30 BDEDHN C=C(C)CN(CC)c1cc(C)nc(N)n1 ZINC000226567756 640772776 /nfs/dbraw/zinc/77/27/76/640772776.db2.gz CKGRFXIGDHAECK-UHFFFAOYSA-N 0 3 206.293 1.770 20 30 BDEDHN N#CCC[C@@H](C#N)CN[C@@H](CCO)C1CCCC1 ZINC000934006583 640805410 /nfs/dbraw/zinc/80/54/10/640805410.db2.gz PDMKUZOIJXOUCE-JSGCOSHPSA-N 0 3 249.358 1.961 20 30 BDEDHN C=C[C@H](CC)CC(=O)N(C)CCN(C)C ZINC000934008307 640805995 /nfs/dbraw/zinc/80/59/95/640805995.db2.gz RGGTZXNEEWMDFL-LLVKDONJSA-N 0 3 212.337 1.609 20 30 BDEDHN COCCN(C)CCNCC#Cc1ccccc1 ZINC000061378365 640959377 /nfs/dbraw/zinc/95/93/77/640959377.db2.gz SAVHZCAIJSDAGZ-UHFFFAOYSA-N 0 3 246.354 1.206 20 30 BDEDHN C=CC[C@H]1CCN1CCc1nnc(C)o1 ZINC000934463189 641157452 /nfs/dbraw/zinc/15/74/52/641157452.db2.gz URXNYLUXVVRKHI-JTQLQIEISA-N 0 3 207.277 1.571 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)SC)C1 ZINC000971109441 641162924 /nfs/dbraw/zinc/16/29/24/641162924.db2.gz PUQPILONKGWFGW-GHMZBOCLSA-N 0 3 242.388 1.457 20 30 BDEDHN C#CCSCCNCC#Cc1ccccc1 ZINC000231948464 641220927 /nfs/dbraw/zinc/22/09/27/641220927.db2.gz IFIVYKXYRBBGAG-UHFFFAOYSA-N 0 3 229.348 1.994 20 30 BDEDHN C=CCCCN(CC)CCCS(C)(=O)=O ZINC000934646757 641231432 /nfs/dbraw/zinc/23/14/32/641231432.db2.gz UMYWXXYJJFPRSX-UHFFFAOYSA-N 0 3 233.377 1.709 20 30 BDEDHN C=C1CCN(C[C@H]2CCC3(COC3)O2)CC1 ZINC000929605160 641375426 /nfs/dbraw/zinc/37/54/26/641375426.db2.gz WUKZCMIGBRESFF-GFCCVEGCSA-N 0 3 223.316 1.586 20 30 BDEDHN C=CCCCCCN(C)CC[N+](=O)[O-] ZINC000929696215 641403080 /nfs/dbraw/zinc/40/30/80/641403080.db2.gz ULLWLTZLFYBWET-UHFFFAOYSA-N 0 3 200.282 1.941 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN1C(C)C ZINC000935623658 641449133 /nfs/dbraw/zinc/44/91/33/641449133.db2.gz FZSLPNLYDRXVRN-STQMWFEESA-N 0 3 236.359 1.777 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)o1 ZINC000914432626 641701921 /nfs/dbraw/zinc/70/19/21/641701921.db2.gz ASEUQRKZXUHOMK-CHWSQXEVSA-N 0 3 232.283 1.666 20 30 BDEDHN CC(C)CNN=Cc1ccc(N(C)CCO)cc1 ZINC000916366173 641933262 /nfs/dbraw/zinc/93/32/62/641933262.db2.gz QUBSMPDFOVGMIF-UHFFFAOYSA-N 0 3 249.358 1.695 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000971179457 642316452 /nfs/dbraw/zinc/31/64/52/642316452.db2.gz CKCSGHZLTWGESU-SNVBAGLBSA-N 0 3 235.287 1.007 20 30 BDEDHN C=CCCNCc1nc(Br)c[nH]1 ZINC000308070283 642347826 /nfs/dbraw/zinc/34/78/26/642347826.db2.gz BBKQXKHODOQFOC-UHFFFAOYSA-N 0 3 230.109 1.838 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC000971305052 642350101 /nfs/dbraw/zinc/35/01/01/642350101.db2.gz MQEHPSUGELVYFL-IGEMTJHASA-N 0 3 222.332 1.671 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971338579 642363931 /nfs/dbraw/zinc/36/39/31/642363931.db2.gz WUQZPSLNLVCQPN-CYBMUJFWSA-N 0 3 247.342 1.357 20 30 BDEDHN C=CCCOC(=O)C1CCCN(C2CC2)C1=O ZINC000924050610 642378445 /nfs/dbraw/zinc/37/84/45/642378445.db2.gz HUZSCPAARGUREW-LLVKDONJSA-N 0 3 237.299 1.507 20 30 BDEDHN C=C(Br)CNC(=O)[C@H](N)CC1CC1 ZINC000308179226 642474716 /nfs/dbraw/zinc/47/47/16/642474716.db2.gz GLJQOIBMEFSQDV-MRVPVSSYSA-N 0 3 247.136 1.139 20 30 BDEDHN C=CCNCc1cnn(CC2CCC2)c1 ZINC000921474827 642633672 /nfs/dbraw/zinc/63/36/72/642633672.db2.gz IVYSAFOCIKNTJF-UHFFFAOYSA-N 0 3 205.305 1.959 20 30 BDEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCC2 ZINC000961908223 642711273 /nfs/dbraw/zinc/71/12/73/642711273.db2.gz ZVXZWJZVKIUVRB-QNWHQSFQSA-N 0 3 246.354 1.409 20 30 BDEDHN C=C(Cl)CNC1CC2(C1)CC(NC(C)=O)C2 ZINC000963427787 642745146 /nfs/dbraw/zinc/74/51/46/642745146.db2.gz BYNPWHLPJBMDBP-UHFFFAOYSA-N 0 3 242.750 1.776 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000179950426 642760212 /nfs/dbraw/zinc/76/02/12/642760212.db2.gz KHXZCRACKSVQCG-DGCLKSJQSA-N 0 3 246.310 1.544 20 30 BDEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN ZINC000237944474 642765523 /nfs/dbraw/zinc/76/55/23/642765523.db2.gz HORXXFALEORDST-UHFFFAOYSA-N 0 3 249.270 1.068 20 30 BDEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000966295767 642787191 /nfs/dbraw/zinc/78/71/91/642787191.db2.gz JSRFMNSPGCXTJW-QWHCGFSZSA-N 0 3 248.370 1.636 20 30 BDEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001007387279 642826862 /nfs/dbraw/zinc/82/68/62/642826862.db2.gz QPYQCONJTWTDRD-GFCCVEGCSA-N 0 3 234.343 1.390 20 30 BDEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001010134255 642851588 /nfs/dbraw/zinc/85/15/88/642851588.db2.gz ZAPRDNVGFMSZLA-KGLIPLIRSA-N 0 3 246.354 1.557 20 30 BDEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC1 ZINC000013760266 642875475 /nfs/dbraw/zinc/87/54/75/642875475.db2.gz UNRSQHSAEAPJRT-LLVKDONJSA-N 0 3 228.251 1.744 20 30 BDEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001014903418 642894941 /nfs/dbraw/zinc/89/49/41/642894941.db2.gz GLEADLPNDIGESU-GXTWGEPZSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CCCN1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001015542532 642905162 /nfs/dbraw/zinc/90/51/62/642905162.db2.gz MPUDXHMDVLTYTR-LBPRGKRZSA-N 0 3 248.326 1.968 20 30 BDEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015751614 642924368 /nfs/dbraw/zinc/92/43/68/642924368.db2.gz GGHBWQPXLVQGSC-VXGBXAGGSA-N 0 3 232.327 1.000 20 30 BDEDHN C#CCN[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001018422709 642989634 /nfs/dbraw/zinc/98/96/34/642989634.db2.gz BSQNFMULCDDAEM-NSHDSACASA-N 0 3 248.351 1.494 20 30 BDEDHN C#Cc1ccc(C(=O)NCC2CN(CC)C2)cc1 ZINC001031892143 643000100 /nfs/dbraw/zinc/00/01/00/643000100.db2.gz 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248.370 1.895 20 30 BDEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001041875808 710772163 /nfs/dbraw/zinc/77/21/63/710772163.db2.gz IGOGZHIBGQILQE-AAEUAGOBSA-N 0 3 234.343 1.505 20 30 BDEDHN C#C[C@@](C)(CC)NCc1cn(C)nc1C ZINC000384184071 710807540 /nfs/dbraw/zinc/80/75/40/710807540.db2.gz RLLDGBVAGSZBNK-LBPRGKRZSA-N 0 3 205.305 1.620 20 30 BDEDHN C#C[C@](C)(CC)NC[C@@](C)(O)C(F)(F)F ZINC000384194036 710815319 /nfs/dbraw/zinc/81/53/19/710815319.db2.gz XBEQXNOGKOQBPB-RKDXNWHRSA-N 0 3 223.238 1.691 20 30 BDEDHN C=CCN1CC[C@](C)(NC(=O)C2CCC2)C1 ZINC001046096246 710847379 /nfs/dbraw/zinc/84/73/79/710847379.db2.gz POSWBOSIUDJBEW-ZDUSSCGKSA-N 0 3 222.332 1.553 20 30 BDEDHN C=CCN1CC[C@@](C)(NC(=O)C2CCC2)C1 ZINC001046096244 710848916 /nfs/dbraw/zinc/84/89/16/710848916.db2.gz POSWBOSIUDJBEW-CYBMUJFWSA-N 0 3 222.332 1.553 20 30 BDEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046221599 710854641 /nfs/dbraw/zinc/85/46/41/710854641.db2.gz SNVHMYIGMGZVII-UKTARXLSSA-N 0 3 248.370 1.799 20 30 BDEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C ZINC001049646784 710901989 /nfs/dbraw/zinc/90/19/89/710901989.db2.gz OTJUUXLTCMUXMF-YIYPIFLZSA-N 0 3 248.370 1.894 20 30 BDEDHN C#CCN1CCC[C@H](NC(=O)c2ccco2)CC1 ZINC001052159277 710961844 /nfs/dbraw/zinc/96/18/44/710961844.db2.gz VHGYSDCIFREYEL-LBPRGKRZSA-N 0 3 246.310 1.497 20 30 BDEDHN C#CCN1CCC[C@@H](NC(=O)C2CCCC2)CC1 ZINC001052142301 710962584 /nfs/dbraw/zinc/96/25/84/710962584.db2.gz KJSBIXVWKFNGCQ-CQSZACIVSA-N 0 3 248.370 1.781 20 30 BDEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)C2CC2)CC1 ZINC001052282669 710964697 /nfs/dbraw/zinc/96/46/97/710964697.db2.gz QFCXWXGNJWVWKP-TZMCWYRMSA-N 0 3 248.370 1.636 20 30 BDEDHN C#CCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000393756377 711172359 /nfs/dbraw/zinc/17/23/59/711172359.db2.gz HTLNINWXIDKMIP-SECBINFHSA-N 0 3 221.222 1.399 20 30 BDEDHN C=C(C)CN1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071279473 711182494 /nfs/dbraw/zinc/18/24/94/711182494.db2.gz UEPUSYCWOJWJON-VXGBXAGGSA-N 0 3 224.348 1.942 20 30 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C=CC(C)(C)C(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001054977117 710943602 /nfs/dbraw/zinc/94/36/02/710943602.db2.gz UKNCRVGGQRTROF-QWRGUYRKSA-N 0 3 242.338 1.605 20 30 BDEDHN CC#CCN1CCC2(CN(C(=O)CC)C2)CC1 ZINC001050393966 710952289 /nfs/dbraw/zinc/95/22/89/710952289.db2.gz OBGUCUJWZASJGH-UHFFFAOYSA-N 0 3 234.343 1.344 20 30 BDEDHN CN1CC[C@@H]1CNCC#Cc1ccccc1 ZINC000712537474 711472686 /nfs/dbraw/zinc/47/26/86/711472686.db2.gz ZEQLUWCDJUMXFK-CQSZACIVSA-N 0 3 214.312 1.332 20 30 BDEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001039179240 711477642 /nfs/dbraw/zinc/47/76/42/711477642.db2.gz CVTPYAAIMUMFAV-ZIAGYGMSSA-N 0 3 248.370 1.733 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000971400281 711507990 /nfs/dbraw/zinc/50/79/90/711507990.db2.gz LAZCAEBLQBTPEH-NSHDSACASA-N 0 3 249.314 1.315 20 30 BDEDHN C#CCN1CC[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001041894328 711534170 /nfs/dbraw/zinc/53/41/70/711534170.db2.gz DWUVYKDOKQTSRD-UONOGXRCSA-N 0 3 246.354 1.343 20 30 BDEDHN 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ZINC001035639547 712138753 /nfs/dbraw/zinc/13/87/53/712138753.db2.gz FBPLTBMYQFHCME-UHFFFAOYSA-N 0 3 248.370 1.734 20 30 BDEDHN C=CC1CCN(c2ccncc2CO)CC1 ZINC000706467756 712146863 /nfs/dbraw/zinc/14/68/63/712146863.db2.gz HMAQHSKCDRSCJZ-UHFFFAOYSA-N 0 3 218.300 1.976 20 30 BDEDHN CO[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC000706581636 712150450 /nfs/dbraw/zinc/15/04/50/712150450.db2.gz OINLVRLFYMEHHU-HDJSIYSDSA-N 0 3 215.296 1.805 20 30 BDEDHN C=CC1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000706662334 712151216 /nfs/dbraw/zinc/15/12/16/712151216.db2.gz ONQHPVGYZNXWMS-LBPRGKRZSA-N 0 3 222.332 1.538 20 30 BDEDHN C=CCCC(C)(C)CNC(=O)[C@H](CN)OC ZINC000707740258 712176816 /nfs/dbraw/zinc/17/68/16/712176816.db2.gz RLQMGBJJGBRVMW-JTQLQIEISA-N 0 3 228.336 1.069 20 30 BDEDHN N#Cc1ccc(CNCCc2ccns2)o1 ZINC000709789474 712226715 /nfs/dbraw/zinc/22/67/15/712226715.db2.gz AGZMAXUZOAZOJL-UHFFFAOYSA-N 0 3 233.296 1.940 20 30 BDEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001079405410 712349056 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/nfs/dbraw/zinc/92/02/16/584920216.db2.gz UVNXPGGINZGDHG-UHFFFAOYSA-N 0 3 245.322 1.924 20 30 BDEDHN C[C@@H]1CC(=NOC[C@H]2CCOC2)CCN1C ZINC000788033696 584923341 /nfs/dbraw/zinc/92/33/41/584923341.db2.gz KNDLQNYYXQZJGV-MNOVXSKESA-N 0 3 226.320 1.510 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)COc1ccccc1 ZINC000736673148 585009348 /nfs/dbraw/zinc/00/93/48/585009348.db2.gz QFKCUHUEIDUWKM-WDEREUQCSA-N 0 3 232.283 1.730 20 30 BDEDHN COc1ccc(O)c(CNC(=O)C(C)C#N)c1 ZINC000736680778 585009555 /nfs/dbraw/zinc/00/95/55/585009555.db2.gz UJZIQSMWKDKSKW-QMMMGPOBSA-N 0 3 234.255 1.177 20 30 BDEDHN CC(C#N)C(=O)NC[C@](C)(O)c1ccccc1 ZINC000736680747 585009656 /nfs/dbraw/zinc/00/96/56/585009656.db2.gz SHMKLZNAPVLHMX-MFKMUULPSA-N 0 3 232.283 1.170 20 30 BDEDHN Cc1cc(C#N)ccc1N(C)CCN(C)C ZINC000203392465 585029877 /nfs/dbraw/zinc/02/98/77/585029877.db2.gz MGBLQGBIQGVMTI-UHFFFAOYSA-N 0 3 217.316 1.865 20 30 BDEDHN CCN(CC)CCOC(=O)C#CC1CC1 ZINC000838366674 585054876 /nfs/dbraw/zinc/05/48/76/585054876.db2.gz KAYDQIWHSWSREK-UHFFFAOYSA-N 0 3 209.289 1.285 20 30 BDEDHN C=CCOC(=O)C1CN(C2CCCCC2)C1 ZINC000838462211 585058426 /nfs/dbraw/zinc/05/84/26/585058426.db2.gz CDVDMROVAGDLAU-UHFFFAOYSA-N 0 3 223.316 1.980 20 30 BDEDHN C#CCCCCNC(=O)NC(C)(C)CN(C)C ZINC000838516174 585060204 /nfs/dbraw/zinc/06/02/04/585060204.db2.gz MPWHPLGRWAESMB-UHFFFAOYSA-N 0 3 239.363 1.429 20 30 BDEDHN CCCCCCCCNCCS(C)(=O)=O ZINC000103121340 585063066 /nfs/dbraw/zinc/06/30/66/585063066.db2.gz AWYUDGMLUCNSDF-UHFFFAOYSA-N 0 3 235.393 1.981 20 30 BDEDHN C#Cc1ccc(CNC(=O)NCCN(C)C)cc1 ZINC000838642307 585064179 /nfs/dbraw/zinc/06/41/79/585064179.db2.gz YAUYLILLVHGXOB-UHFFFAOYSA-N 0 3 245.326 1.029 20 30 BDEDHN C#CCN(CC)CC(C)(C)CC(=O)OCC ZINC000838805864 585069452 /nfs/dbraw/zinc/06/94/52/585069452.db2.gz KUKCBNKFELGSLW-UHFFFAOYSA-N 0 3 225.332 1.921 20 30 BDEDHN C=CCCN1CCCC[C@@H]1C1OCCO1 ZINC000739912729 585085424 /nfs/dbraw/zinc/08/54/24/585085424.db2.gz SANWEAIEMQLCGS-LLVKDONJSA-N 0 3 211.305 1.790 20 30 BDEDHN C#CCN(Cc1ccccc1)C[C@H](O)C1CC1 ZINC000839012372 585087328 /nfs/dbraw/zinc/08/73/28/585087328.db2.gz SSUUJENBUBHMAU-HNNXBMFYSA-N 0 3 229.323 1.893 20 30 BDEDHN CS[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000103329616 585098088 /nfs/dbraw/zinc/09/80/88/585098088.db2.gz BFNMZDGRHJMBOY-RKDXNWHRSA-N 0 3 240.328 1.069 20 30 BDEDHN C=CCOC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000741015476 585109280 /nfs/dbraw/zinc/10/92/80/585109280.db2.gz BQWSTCFDBOQSIJ-OUAUKWLOSA-N 0 3 211.305 1.977 20 30 BDEDHN CCn1c2ccccc2nc1C(C)=NNC(=N)N ZINC000741451428 585113962 /nfs/dbraw/zinc/11/39/62/585113962.db2.gz OSRQJOLLAXJBJK-UHFFFAOYSA-N 0 3 244.302 1.263 20 30 BDEDHN C[C@H]1CC(=NNC(=S)NC2CC2)CCN1C ZINC000741455737 585114085 /nfs/dbraw/zinc/11/40/85/585114085.db2.gz LUEITKHQTLEXGX-QMMMGPOBSA-N 0 3 240.376 1.083 20 30 BDEDHN C[C@H]1CC(=NNCC(F)F)CCN1C ZINC000741460478 585114360 /nfs/dbraw/zinc/11/43/60/585114360.db2.gz NKSPAXAOXUGXKQ-ZETCQYMHSA-N 0 3 205.252 1.311 20 30 BDEDHN C[C@@H]1CC(N=Nc2cccnn2)CCN1C ZINC000741461012 585114509 /nfs/dbraw/zinc/11/45/09/585114509.db2.gz SISPZBCSVVGUSI-SECBINFHSA-N 0 3 219.292 1.359 20 30 BDEDHN C#CCCCNCc1cnc(N2CCCC2)nc1 ZINC000742382632 585125329 /nfs/dbraw/zinc/12/53/29/585125329.db2.gz GYJAWEQQKWZEFM-UHFFFAOYSA-N 0 3 244.342 1.580 20 30 BDEDHN C#CCCN1CCC(NC(=O)CCC2CC2)CC1 ZINC000743492654 585137650 /nfs/dbraw/zinc/13/76/50/585137650.db2.gz YLLBRMLDHWFSDE-UHFFFAOYSA-N 0 3 248.370 1.781 20 30 BDEDHN Cc1cccc(F)c1CNC(=O)C(C)C#N ZINC000743720168 585138767 /nfs/dbraw/zinc/13/87/67/585138767.db2.gz SWBSCEJCGAIFCS-SECBINFHSA-N 0 3 220.247 1.910 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744036389 585141868 /nfs/dbraw/zinc/14/18/68/585141868.db2.gz ZMUJJDFMYLOPBU-RKDXNWHRSA-N 0 3 234.255 1.146 20 30 BDEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000745856369 585161164 /nfs/dbraw/zinc/16/11/64/585161164.db2.gz CFZACPGQKJUHFX-UWVGGRQHSA-N 0 3 245.754 1.521 20 30 BDEDHN COC(=O)CN(C(=O)C(C)C#N)c1ccccc1 ZINC000746281233 585166805 /nfs/dbraw/zinc/16/68/05/585166805.db2.gz DZKSQVPOKXWLFB-JTQLQIEISA-N 0 3 246.266 1.352 20 30 BDEDHN COc1cc(C=NNC(=N)N)ccc1SC ZINC000746484107 585168933 /nfs/dbraw/zinc/16/89/33/585168933.db2.gz DGBRJPBMHFIJAN-UHFFFAOYSA-N 0 3 238.316 1.234 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)C(C)(C)C1 ZINC000746677494 585171930 /nfs/dbraw/zinc/17/19/30/585171930.db2.gz AXSBIQDKIGSNFD-JTQLQIEISA-N 0 3 223.320 1.137 20 30 BDEDHN C[C@H]1CN(CC(=O)NCCC#N)C(C)(C)C1 ZINC000746677495 585172005 /nfs/dbraw/zinc/17/20/05/585172005.db2.gz AXSBIQDKIGSNFD-SNVBAGLBSA-N 0 3 223.320 1.137 20 30 BDEDHN c1nncn1N=C1CCCC[C@@H]1N1CCCCC1 ZINC000748779189 585195901 /nfs/dbraw/zinc/19/59/01/585195901.db2.gz XVNPMYURDPLTQA-ZDUSSCGKSA-N 0 3 247.346 1.911 20 30 BDEDHN C=CCCCN1CCN(CCCCO)CC1 ZINC000750057937 585209869 /nfs/dbraw/zinc/20/98/69/585209869.db2.gz ZEWQAOJRYNRVKI-UHFFFAOYSA-N 0 3 226.364 1.343 20 30 BDEDHN N=C(N)N=NC1CCC2(CCOCC2)CC1 ZINC000751516017 585231299 /nfs/dbraw/zinc/23/12/99/585231299.db2.gz DGXUKOSAEHXZDY-UHFFFAOYSA-N 0 3 224.308 1.196 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000751827035 585237227 /nfs/dbraw/zinc/23/72/27/585237227.db2.gz ONAPOOCXUWPQQC-OUAUKWLOSA-N 0 3 232.283 1.044 20 30 BDEDHN CC(C#N)C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000752564899 585247852 /nfs/dbraw/zinc/24/78/52/585247852.db2.gz WGRLWZWTSPZFSI-YGRLFVJLSA-N 0 3 244.294 1.096 20 30 BDEDHN N=C(N)NN=C1CC2(CCC2)Oc2ccccc21 ZINC000753163536 585254642 /nfs/dbraw/zinc/25/46/42/585254642.db2.gz WKNYMECAUZZSDM-UHFFFAOYSA-N 0 3 244.298 1.579 20 30 BDEDHN C=CCN1CCC(NC(=O)N(C)OCC)CC1 ZINC000753479505 585259623 /nfs/dbraw/zinc/25/96/23/585259623.db2.gz YQDHBGJIIYEFKI-UHFFFAOYSA-N 0 3 241.335 1.230 20 30 BDEDHN C#CCOCCN[C@H](C)c1ccccc1OC ZINC000753761458 585268212 /nfs/dbraw/zinc/26/82/12/585268212.db2.gz MSXIYDAXOAHVRR-GFCCVEGCSA-N 0 3 233.311 1.996 20 30 BDEDHN C#CCOCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000753759904 585268282 /nfs/dbraw/zinc/26/82/82/585268282.db2.gz GYDHLLCYDUXBAX-LBPRGKRZSA-N 0 3 235.331 1.764 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc[nH]1 ZINC000753941467 585272433 /nfs/dbraw/zinc/27/24/33/585272433.db2.gz ZCOLAXRWXBEYFP-QWRGUYRKSA-N 0 3 231.303 1.209 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@H]2N1)c1cc[nH]c1 ZINC000753937278 585272622 /nfs/dbraw/zinc/27/26/22/585272622.db2.gz ZMYKBNOGKOMVHE-PHIMTYICSA-N 0 3 231.303 1.209 20 30 BDEDHN C#CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000754040664 585275887 /nfs/dbraw/zinc/27/58/87/585275887.db2.gz AIKMTWOKQBJLAC-UHFFFAOYSA-N 0 3 234.343 1.343 20 30 BDEDHN CC(C)N1CC(N=Nc2ncccn2)[C@@H](C)C1 ZINC000754259744 585281469 /nfs/dbraw/zinc/28/14/69/585281469.db2.gz SCODWSLWFIVDGR-JTQLQIEISA-N 0 3 233.319 1.605 20 30 BDEDHN C(CCCOc1ccccc1)=Nn1cnnc1 ZINC000755463711 585299916 /nfs/dbraw/zinc/29/99/16/585299916.db2.gz KMLVJMPCFIOMBZ-UHFFFAOYSA-N 0 3 230.271 1.971 20 30 BDEDHN C#C[C@H](NC[C@@H]1CCC(C)(C)O1)[C@H]1CCCO1 ZINC000839563140 585331358 /nfs/dbraw/zinc/33/13/58/585331358.db2.gz GGDSIZOREUBJJY-RWMBFGLXSA-N 0 3 237.343 1.714 20 30 BDEDHN C#CCCCN1CCO[C@@H](C2CCC2)C1 ZINC000839625421 585332854 /nfs/dbraw/zinc/33/28/54/585332854.db2.gz MKTNNJIYZYBZFN-CYBMUJFWSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](C2CCC2)C1 ZINC000839677066 585336568 /nfs/dbraw/zinc/33/65/68/585336568.db2.gz PZWGUHROEUAWMF-AAEUAGOBSA-N 0 3 234.343 1.246 20 30 BDEDHN C[C@H]1CC(=NNC2CCOCC2)CCN1C ZINC000757591269 585342714 /nfs/dbraw/zinc/34/27/14/585342714.db2.gz DURHAHPKLABROD-JTQLQIEISA-N 0 3 225.336 1.225 20 30 BDEDHN C#CCCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000757933557 585347255 /nfs/dbraw/zinc/34/72/55/585347255.db2.gz WLZXBKQAMNBGTO-AWEZNQCLSA-N 0 3 248.370 1.877 20 30 BDEDHN C#CCNC(=S)Nc1cccc(CN(C)C)c1 ZINC000758188205 585351383 /nfs/dbraw/zinc/35/13/83/585351383.db2.gz ATDMUWYCYBTGDS-UHFFFAOYSA-N 0 3 247.367 1.668 20 30 BDEDHN N=C(N)N=NC1CC(c2ccc(F)cc2)C1 ZINC000759179994 585364823 /nfs/dbraw/zinc/36/48/23/585364823.db2.gz SUQZLRFZKUXIDM-UHFFFAOYSA-N 0 3 220.251 1.542 20 30 BDEDHN C#CCCCC(=O)OCCN(CC)CC ZINC000759191536 585365165 /nfs/dbraw/zinc/36/51/65/585365165.db2.gz KMNLZYOWDFCKFK-UHFFFAOYSA-N 0 3 211.305 1.675 20 30 BDEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000760307594 585389719 /nfs/dbraw/zinc/38/97/19/585389719.db2.gz OMKQWPYIJJMUPD-LBPRGKRZSA-N 0 3 222.332 1.248 20 30 BDEDHN CS[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760336540 585390513 /nfs/dbraw/zinc/39/05/13/585390513.db2.gz ZRSXCUNOFKXQJI-JGVFFNPUSA-N 0 3 221.285 1.404 20 30 BDEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)c1ccncn1 ZINC000760342814 585390782 /nfs/dbraw/zinc/39/07/82/585390782.db2.gz YAXZJLLQWJAUIQ-KOLCDFICSA-N 0 3 245.282 1.468 20 30 BDEDHN C=CCCOCC(=O)C(C#N)c1ccncn1 ZINC000760353784 585391308 /nfs/dbraw/zinc/39/13/08/585391308.db2.gz RNOLBKZLFPWTCF-SNVBAGLBSA-N 0 3 231.255 1.246 20 30 BDEDHN C#CCCN1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000760833215 585398894 /nfs/dbraw/zinc/39/88/94/585398894.db2.gz SYWDBDLSRDIZKS-ZDUSSCGKSA-N 0 3 238.375 1.034 20 30 BDEDHN C#CCCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000760843847 585399174 /nfs/dbraw/zinc/39/91/74/585399174.db2.gz QXJMUMFQMJRUPG-KBPBESRZSA-N 0 3 236.359 1.731 20 30 BDEDHN N#CCCN1CCN(CCCCCCO)CC1 ZINC000760944927 585402107 /nfs/dbraw/zinc/40/21/07/585402107.db2.gz UDCGLVVIHOJWEK-UHFFFAOYSA-N 0 3 239.363 1.070 20 30 BDEDHN CC[C@H](CC#N)NC(=O)C1(N(C)C)CCC1 ZINC000762718461 585436059 /nfs/dbraw/zinc/43/60/59/585436059.db2.gz DTKWFFDGDWCJOP-SNVBAGLBSA-N 0 3 223.320 1.279 20 30 BDEDHN C[C@@H](C#N)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000763030764 585441815 /nfs/dbraw/zinc/44/18/15/585441815.db2.gz RSJBTLDEGNMGIW-JTQLQIEISA-N 0 3 223.320 1.089 20 30 BDEDHN Cc1cc(C)c2c(c1)C(=NNC(=N)N)CCCO2 ZINC000763107565 585443441 /nfs/dbraw/zinc/44/34/41/585443441.db2.gz ZGLMQLMNNIBVSL-UHFFFAOYSA-N 0 3 246.314 1.663 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C1CCCCC1 ZINC000764072273 585459340 /nfs/dbraw/zinc/45/93/40/585459340.db2.gz UWWFHDDGESVDDW-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC)C1CCCC1 ZINC000764335870 585463812 /nfs/dbraw/zinc/46/38/12/585463812.db2.gz KINNYVLORDBPQB-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000764613550 585469231 /nfs/dbraw/zinc/46/92/31/585469231.db2.gz PWHGGWWYKCNCAG-BETUJISGSA-N 0 3 236.359 1.753 20 30 BDEDHN Fc1cnc(N=NC2CCN3CCC[C@@H]23)nc1 ZINC000765584742 585490436 /nfs/dbraw/zinc/49/04/36/585490436.db2.gz RBGQANFYRNEBBB-JTQLQIEISA-N 0 3 235.266 1.252 20 30 BDEDHN N#C[C@@H]1CCC[C@H](NC[C@H](O)c2ccco2)C1 ZINC000765927721 585493893 /nfs/dbraw/zinc/49/38/93/585493893.db2.gz DKUGQQVHHIKOLN-WOPDTQHZSA-N 0 3 234.299 1.985 20 30 BDEDHN CC(C#N)C(=O)NCC(C)(C)C1CCOCC1 ZINC000887392090 585501185 /nfs/dbraw/zinc/50/11/85/585501185.db2.gz ACDKWFDMNXIMSP-SNVBAGLBSA-N 0 3 238.331 1.715 20 30 BDEDHN C#CCCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000766900331 585510217 /nfs/dbraw/zinc/51/02/17/585510217.db2.gz ATDQAVVZJSPGND-LBPRGKRZSA-N 0 3 220.316 1.143 20 30 BDEDHN C#CCCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000766906445 585511003 /nfs/dbraw/zinc/51/10/03/585511003.db2.gz QKKBSBZSBFOGPA-NWDGAFQWSA-N 0 3 225.357 1.606 20 30 BDEDHN C#CCC(C)(C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000767047568 585513107 /nfs/dbraw/zinc/51/31/07/585513107.db2.gz RHJAUIKDJZYQNO-GFCCVEGCSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCN(CC)CC(OCC)OCC ZINC000767770519 585525791 /nfs/dbraw/zinc/52/57/91/585525791.db2.gz IETJQNAWUGRNNZ-UHFFFAOYSA-N 0 3 201.310 1.893 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCC#CC ZINC000767960035 585528878 /nfs/dbraw/zinc/52/88/78/585528878.db2.gz OLTDTVWRUFZZDW-NSHDSACASA-N 0 3 232.283 1.191 20 30 BDEDHN C[C@H]1CC(N=NCC(F)(F)F)CCN1C ZINC000769815071 585564252 /nfs/dbraw/zinc/56/42/52/585564252.db2.gz QBIWVDXREYOMSO-ZETCQYMHSA-N 0 3 223.242 1.608 20 30 BDEDHN C[C@H](C#N)CNN=C1CCN(C)[C@@H](C)C1 ZINC000771104353 585590711 /nfs/dbraw/zinc/59/07/11/585590711.db2.gz SGBLBUOWHNZBHR-ZJUUUORDSA-N 0 3 208.309 1.206 20 30 BDEDHN C#CCC(C)(C)C(=O)OCCN(CC)CC ZINC000772362991 585613462 /nfs/dbraw/zinc/61/34/62/585613462.db2.gz HPUNMDWUPDIIMD-UHFFFAOYSA-N 0 3 225.332 1.921 20 30 BDEDHN C=CCCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772526762 585617110 /nfs/dbraw/zinc/61/71/10/585617110.db2.gz OJVASJBVUGMBLK-MNOVXSKESA-N 0 3 239.315 1.753 20 30 BDEDHN C=CCC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772529295 585617711 /nfs/dbraw/zinc/61/77/11/585617711.db2.gz GBZGOKMCCHJPBO-VHSXEESVSA-N 0 3 225.288 1.363 20 30 BDEDHN C#CCCCCC(=O)C(C#N)C(=O)NCC=C ZINC000773768963 585643542 /nfs/dbraw/zinc/64/35/42/585643542.db2.gz GVTDBGIYDBDKDQ-LLVKDONJSA-N 0 3 232.283 1.191 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCc1ccccc1C ZINC000774042914 585648930 /nfs/dbraw/zinc/64/89/30/585648930.db2.gz FWLUASYTDYYLPP-UHFFFAOYSA-N 0 3 246.354 1.772 20 30 BDEDHN C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000775183102 585672975 /nfs/dbraw/zinc/67/29/75/585672975.db2.gz IASKQFUIWXJFCW-SECBINFHSA-N 0 3 207.248 1.985 20 30 BDEDHN C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000775183102 585672976 /nfs/dbraw/zinc/67/29/76/585672976.db2.gz IASKQFUIWXJFCW-SECBINFHSA-N 0 3 207.248 1.985 20 30 BDEDHN C#C[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000775380816 585676690 /nfs/dbraw/zinc/67/66/90/585676690.db2.gz ANOXIHMXYUDOJU-WCQYABFASA-N 0 3 234.343 1.531 20 30 BDEDHN C#C[C@@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000775431435 585677951 /nfs/dbraw/zinc/67/79/51/585677951.db2.gz YVBRDRIOHYKBMR-NEPJUHHUSA-N 0 3 237.347 1.182 20 30 BDEDHN C#C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000775573010 585680651 /nfs/dbraw/zinc/68/06/51/585680651.db2.gz VWWXJOSYNDIHCR-MHEUCROKSA-N 0 3 248.370 1.240 20 30 BDEDHN C#C[C@H](N[C@H](COC)CC(C)C)[C@@H]1CCCO1 ZINC000775574009 585680859 /nfs/dbraw/zinc/68/08/59/585680859.db2.gz MZPOCPHUHRFAOT-IHRRRGAJSA-N 0 3 239.359 1.818 20 30 BDEDHN C#C[C@H](NCCC(=O)OC(C)C)[C@@H]1CCCO1 ZINC000775792207 585684654 /nfs/dbraw/zinc/68/46/54/585684654.db2.gz YRHUXOUASWUFEE-RYUDHWBXSA-N 0 3 239.315 1.099 20 30 BDEDHN C#C[C@@H](NCCCc1ccncc1)[C@H]1CCCO1 ZINC000775794223 585685121 /nfs/dbraw/zinc/68/51/21/585685121.db2.gz YLKDONGVHTVVHH-HUUCEWRRSA-N 0 3 244.338 1.785 20 30 BDEDHN C#C[C@H](NCCCc1cnn(C)c1)[C@H]1CCCO1 ZINC000775799527 585685232 /nfs/dbraw/zinc/68/52/32/585685232.db2.gz KRXGILUBVVNEHH-UONOGXRCSA-N 0 3 247.342 1.123 20 30 BDEDHN C#C[C@H](NCC[C@@H]1CCCCO1)[C@@H]1CCCO1 ZINC000775797022 585685303 /nfs/dbraw/zinc/68/53/03/585685303.db2.gz BTKZOYVCSJWWMN-IHRRRGAJSA-N 0 3 237.343 1.716 20 30 BDEDHN C#C[C@@H](NCCCc1nc(C)no1)[C@H]1CCCO1 ZINC000775806935 585685484 /nfs/dbraw/zinc/68/54/84/585685484.db2.gz OXPVIPRFWULMEC-VXGBXAGGSA-N 0 3 249.314 1.081 20 30 BDEDHN Cc1nnc(C)n1N=Cc1cnccc1N(C)C ZINC000776186022 585691936 /nfs/dbraw/zinc/69/19/36/585691936.db2.gz RXGOLXVAAURVRR-UHFFFAOYSA-N 0 3 244.302 1.238 20 30 BDEDHN C#CCCN1CCN(C[C@H]2CCCOC2)CC1 ZINC000776593359 585702165 /nfs/dbraw/zinc/70/21/65/585702165.db2.gz IQYQTUQOALXVGO-CQSZACIVSA-N 0 3 236.359 1.054 20 30 BDEDHN C#CCCN1CCN(CCCCCCO)CC1 ZINC000776593012 585702408 /nfs/dbraw/zinc/70/24/08/585702408.db2.gz QSXNRFJDNINRRF-UHFFFAOYSA-N 0 3 238.375 1.180 20 30 BDEDHN C#CCCCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000776857886 585706278 /nfs/dbraw/zinc/70/62/78/585706278.db2.gz OKKXJJABULLPPX-NSHDSACASA-N 0 3 224.348 1.635 20 30 BDEDHN CC(CN1CCCCCC1)=Nn1cnnc1 ZINC000777422809 585711756 /nfs/dbraw/zinc/71/17/56/585711756.db2.gz XYSJXUUBYHFQRM-UHFFFAOYSA-N 0 3 221.308 1.378 20 30 BDEDHN C=CCN(C)C(=S)NC1CCN(C)CC1 ZINC000777470752 585713420 /nfs/dbraw/zinc/71/34/20/585713420.db2.gz GPFYCPOISRDYGQ-UHFFFAOYSA-N 0 3 227.377 1.073 20 30 BDEDHN COC[C@H](C)NN=C1CCN(C)[C@H](C)C1 ZINC000777894067 585722077 /nfs/dbraw/zinc/72/20/77/585722077.db2.gz ZHPRXUCAWUWNJU-VHSXEESVSA-N 0 3 213.325 1.081 20 30 BDEDHN C=C(C)CN(C)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000778232394 585728269 /nfs/dbraw/zinc/72/82/69/585728269.db2.gz UCGUUUGDVYVXFC-LLVKDONJSA-N 0 3 239.315 1.730 20 30 BDEDHN CC(C#N)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000779346357 585752225 /nfs/dbraw/zinc/75/22/25/585752225.db2.gz NPWQYNZYSREWKF-BXUZGUMPSA-N 0 3 246.310 1.560 20 30 BDEDHN CC(CCc1ccco1)=NNC1=N[C@H](C)CN1 ZINC000779795506 585764487 /nfs/dbraw/zinc/76/44/87/585764487.db2.gz VGCZAUIOGVSDKB-SNVBAGLBSA-N 0 3 234.303 1.525 20 30 BDEDHN C[C@H]1CN(C)CC1N=Nc1ccc2n[nH]cc2c1 ZINC000779815973 585767016 /nfs/dbraw/zinc/76/70/16/585767016.db2.gz IODRDYKILACGLI-VIFPVBQESA-N 0 3 243.314 1.912 20 30 BDEDHN C#CCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781377339 585795266 /nfs/dbraw/zinc/79/52/66/585795266.db2.gz FHDHTOIJLNAGBW-GFCCVEGCSA-N 0 3 249.358 1.349 20 30 BDEDHN CC[C@H](NCc1ccc(C#N)cn1)[C@@H]1CCOC1 ZINC000783301580 585833255 /nfs/dbraw/zinc/83/32/55/585833255.db2.gz YTNWWANATHZCCX-OCCSQVGLSA-N 0 3 245.326 1.858 20 30 BDEDHN C[C@@]1(C#N)CCCN(CCN2CCCC2)C1 ZINC000784450030 585860103 /nfs/dbraw/zinc/86/01/03/585860103.db2.gz IHSLPTAFVMWXDR-ZDUSSCGKSA-N 0 3 221.348 1.708 20 30 BDEDHN C=CC[C@@H](CO)CNCc1ccc(F)nc1C ZINC000785508027 585874734 /nfs/dbraw/zinc/87/47/34/585874734.db2.gz LRDNTEUOIJDGJL-LLVKDONJSA-N 0 3 238.306 1.803 20 30 BDEDHN C[C@H](CC#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000805881859 585932867 /nfs/dbraw/zinc/93/28/67/585932867.db2.gz KMQBMQGIOPNLQB-SNVBAGLBSA-N 0 3 236.315 1.706 20 30 BDEDHN C=C(C)COCCN[C@@H](C)c1cc(C)nn1C ZINC000793547544 586022518 /nfs/dbraw/zinc/02/25/18/586022518.db2.gz JHVMZCQCRUNNPC-LBPRGKRZSA-N 0 3 237.347 1.972 20 30 BDEDHN COCCCNN=C1CCN(C)[C@H](C)C1 ZINC000794539738 586042836 /nfs/dbraw/zinc/04/28/36/586042836.db2.gz NKBOTGZIQTUVDK-SNVBAGLBSA-N 0 3 213.325 1.083 20 30 BDEDHN C#CC(C)(C)N(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000794578620 586045138 /nfs/dbraw/zinc/04/51/38/586045138.db2.gz BNSNPDARFGWNKV-LLVKDONJSA-N 0 3 243.372 1.155 20 30 BDEDHN COCCN(C)N=Cc1ccc(N(C)C)cc1 ZINC000794975379 586060290 /nfs/dbraw/zinc/06/02/90/586060290.db2.gz YRRAAHSEOYIWAW-UHFFFAOYSA-N 0 3 235.331 1.665 20 30 BDEDHN C=C(CC)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794982721 586061266 /nfs/dbraw/zinc/06/12/66/586061266.db2.gz IPNTTXKHZJZXJR-URLYPYJESA-N 0 3 209.289 1.303 20 30 BDEDHN COCCCON=C1CN2CCC1CC2 ZINC000795041313 586066196 /nfs/dbraw/zinc/06/61/96/586066196.db2.gz CEYRSPRAXFPSBX-UHFFFAOYSA-N 0 3 212.293 1.121 20 30 BDEDHN COCCCON=Cc1cnccc1N(C)C ZINC000795042783 586066721 /nfs/dbraw/zinc/06/67/21/586066721.db2.gz YQWMKMWLCZRGRT-UHFFFAOYSA-N 0 3 237.303 1.535 20 30 BDEDHN CN(CC(=O)NCCC#N)[C@H]1CCC(C)(C)C1 ZINC000796529554 586105982 /nfs/dbraw/zinc/10/59/82/586105982.db2.gz BYKRMFVWDFLYAI-NSHDSACASA-N 0 3 237.347 1.527 20 30 BDEDHN CC(C)(C(=O)C(C#N)c1ccncn1)C(F)F ZINC000796847600 586114709 /nfs/dbraw/zinc/11/47/09/586114709.db2.gz VTOHMOWNSBDYTK-SSDOTTSWSA-N 0 3 239.225 1.944 20 30 BDEDHN C=CCNC(=S)NC1(CN(C)C)CCC1 ZINC000798376088 586143231 /nfs/dbraw/zinc/14/32/31/586143231.db2.gz WILQJMYCEGLUPJ-UHFFFAOYSA-N 0 3 227.377 1.121 20 30 BDEDHN C#C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)C(C)C ZINC000798543188 586144745 /nfs/dbraw/zinc/14/47/45/586144745.db2.gz QLXSVBFJUKGRJE-NEPJUHHUSA-N 0 3 237.347 1.038 20 30 BDEDHN CC(=NNCC(C)(C)CO)c1ccc(N)cc1 ZINC000799114883 586157916 /nfs/dbraw/zinc/15/79/16/586157916.db2.gz NBYCJIPJVGJXOQ-UHFFFAOYSA-N 0 3 235.331 1.601 20 30 BDEDHN CON(C)C(=O)CCN1CCC(C)(C#N)CC1 ZINC000799160126 586163341 /nfs/dbraw/zinc/16/33/41/586163341.db2.gz QAZGXGWKRNFMME-UHFFFAOYSA-N 0 3 239.319 1.022 20 30 BDEDHN C#CC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000799741018 586195600 /nfs/dbraw/zinc/19/56/00/586195600.db2.gz JFERWZXJTUZABO-UHFFFAOYSA-N 0 3 248.370 1.782 20 30 BDEDHN C#C[C@H](N[C@H]1CCC12CCOCC2)[C@H]1CCCO1 ZINC000800489869 586222694 /nfs/dbraw/zinc/22/26/94/586222694.db2.gz DUYBDFVSLXNGBT-MJBXVCDLSA-N 0 3 249.354 1.716 20 30 BDEDHN C#CCOCCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000859414883 589035814 /nfs/dbraw/zinc/03/58/14/589035814.db2.gz NIRMIEABQMGQEX-GHMZBOCLSA-N 0 3 231.286 1.859 20 30 BDEDHN C=CC[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000859446065 589037631 /nfs/dbraw/zinc/03/76/31/589037631.db2.gz UFRYRUHLAOPRAP-ZWNOBZJWSA-N 0 3 201.335 1.263 20 30 BDEDHN C=C(C)[C@@H](CO)N[C@@H]1CCc2ccccc2OC1 ZINC000801571389 586264066 /nfs/dbraw/zinc/26/40/66/586264066.db2.gz RMCHYRZGXKHSKL-ZIAGYGMSSA-N 0 3 247.338 1.907 20 30 BDEDHN C=C(C)[C@@H](CO)N[C@H]1CCc2ccccc2OC1 ZINC000801571388 586264168 /nfs/dbraw/zinc/26/41/68/586264168.db2.gz RMCHYRZGXKHSKL-UONOGXRCSA-N 0 3 247.338 1.907 20 30 BDEDHN C[C@@H](C#N)OCC[N@H+](C)Cc1ccccc1[O-] ZINC000801932449 586278422 /nfs/dbraw/zinc/27/84/22/586278422.db2.gz MIBRBJLEESRIQV-NSHDSACASA-N 0 3 234.299 1.753 20 30 BDEDHN C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000801932449 586278424 /nfs/dbraw/zinc/27/84/24/586278424.db2.gz MIBRBJLEESRIQV-NSHDSACASA-N 0 3 234.299 1.753 20 30 BDEDHN CC[C@@]1(CO)CCCN(CCO[C@H](C)C#N)C1 ZINC000801947341 586282564 /nfs/dbraw/zinc/28/25/64/586282564.db2.gz UZWMZPRWGRCCEY-CHWSQXEVSA-N 0 3 240.347 1.400 20 30 BDEDHN C=CCN1CCN(CN2CCC[C@@H]2CC)C1=O ZINC000839989105 586332698 /nfs/dbraw/zinc/33/26/98/586332698.db2.gz TUYVYWLJXQKVLE-LBPRGKRZSA-N 0 3 237.347 1.742 20 30 BDEDHN C#CCC(CC#C)C(=O)OCCN1CCCCC1 ZINC000803700207 586370046 /nfs/dbraw/zinc/37/00/46/586370046.db2.gz GGFCJMFETDVKFD-UHFFFAOYSA-N 0 3 247.338 1.678 20 30 BDEDHN N#CC[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000809571416 586507138 /nfs/dbraw/zinc/50/71/38/586507138.db2.gz QXKVXTNBKTZRQN-HUUCEWRRSA-N 0 3 244.338 1.968 20 30 BDEDHN C[C@H](C#N)OCCN1CCC(F)(F)[C@@H](C)C1 ZINC000810046363 586532863 /nfs/dbraw/zinc/53/28/63/586532863.db2.gz QXZZHZNLYXPOIM-VHSXEESVSA-N 0 3 232.274 1.892 20 30 BDEDHN Cc1cnn([C@@H]2CCN(CCO[C@@H](C)C#N)C2)c1 ZINC000810125508 586534862 /nfs/dbraw/zinc/53/48/62/586534862.db2.gz XKHTWUJKVHXGPU-QWHCGFSZSA-N 0 3 248.330 1.367 20 30 BDEDHN C#Cc1ccc(CN[C@@H](CCOC)COC)cc1 ZINC000811516794 586560402 /nfs/dbraw/zinc/56/04/02/586560402.db2.gz BQNGQZVKCQYVSX-HNNXBMFYSA-N 0 3 247.338 1.809 20 30 BDEDHN CC[C@@H](O)CNN=C(C)c1ccc(N)cc1C ZINC000811653908 586563758 /nfs/dbraw/zinc/56/37/58/586563758.db2.gz PPBBQOMILVILOR-GFCCVEGCSA-N 0 3 235.331 1.662 20 30 BDEDHN C[C@H](CNC(=O)CCCC#N)N1CCCCC1 ZINC000812478689 586577966 /nfs/dbraw/zinc/57/79/66/586577966.db2.gz RVDKAOGTUXBESF-GFCCVEGCSA-N 0 3 237.347 1.671 20 30 BDEDHN C[C@H]1CCCN1CCNC(=O)CCCC#N ZINC000812548192 586579142 /nfs/dbraw/zinc/57/91/42/586579142.db2.gz FOFPDKOIRSKMRK-NSHDSACASA-N 0 3 223.320 1.281 20 30 BDEDHN Cc1oc(C#N)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108803 586593037 /nfs/dbraw/zinc/59/30/37/586593037.db2.gz AOSVXEHDGMUKRB-ZCFIWIBFSA-N 0 3 238.199 1.282 20 30 BDEDHN C=C[C@@](C)(CCOC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114949 586594239 /nfs/dbraw/zinc/59/42/39/586594239.db2.gz YITAYOYTIFZYER-KOLCDFICSA-N 0 3 245.275 1.424 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](CC)CCC ZINC000813427653 586601971 /nfs/dbraw/zinc/60/19/71/586601971.db2.gz KTQOGPBNZQOQKC-NSHDSACASA-N 0 3 212.337 1.799 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)CC1CCN(C)CC1 ZINC000813542767 586603344 /nfs/dbraw/zinc/60/33/44/586603344.db2.gz JAEGMSLOQXVSLU-LLVKDONJSA-N 0 3 222.332 1.198 20 30 BDEDHN C#C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC000813775727 586606407 /nfs/dbraw/zinc/60/64/07/586606407.db2.gz JYGJPQLUNVUQJG-LLVKDONJSA-N 0 3 236.359 1.635 20 30 BDEDHN CC(C)(O)CN1CCC(=NNCC(F)F)CC1 ZINC000814223362 586617993 /nfs/dbraw/zinc/61/79/93/586617993.db2.gz RYIXLKVDCYQPNW-UHFFFAOYSA-N 0 3 249.305 1.064 20 30 BDEDHN CCCNN=C1CCN(CC(C)(C)O)CC1 ZINC000814218946 586618164 /nfs/dbraw/zinc/61/81/64/586618164.db2.gz SJZLXQAQNADUAQ-UHFFFAOYSA-N 0 3 227.352 1.209 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC000842688860 586633976 /nfs/dbraw/zinc/63/39/76/586633976.db2.gz VVGXKJMNJWPYGJ-QWRGUYRKSA-N 0 3 234.299 1.578 20 30 BDEDHN N=C(N)NN=C1CCOc2c(Cl)cccc21 ZINC000814796597 586634677 /nfs/dbraw/zinc/63/46/77/586634677.db2.gz HQQTYUADESGPJE-UHFFFAOYSA-N 0 3 238.678 1.310 20 30 BDEDHN CC(C)(C#N)[C@@H]1CCCC1N=NC(=N)N ZINC000814796794 586634937 /nfs/dbraw/zinc/63/49/37/586634937.db2.gz PUEZCDZJRAYJDL-SSDOTTSWSA-N 0 3 207.281 1.175 20 30 BDEDHN CC(C)[C@@H]1CC(=NNC2=N[C@H](C)CN2)CS1 ZINC000814897583 586645461 /nfs/dbraw/zinc/64/54/61/586645461.db2.gz MBZLQMQUXYDHOZ-SCZZXKLOSA-N 0 3 240.376 1.441 20 30 BDEDHN C[C@H]1CNC(NN=C2CCC[C@H]2C(C)(C)C#N)=N1 ZINC000814898467 586645486 /nfs/dbraw/zinc/64/54/86/586645486.db2.gz TUTDZWXJNDTKEW-VHSXEESVSA-N 0 3 247.346 1.630 20 30 BDEDHN C[C@H]1CNC(NN=C2CCC[C@@H]2C(C)(C)C#N)=N1 ZINC000814898466 586645666 /nfs/dbraw/zinc/64/56/66/586645666.db2.gz TUTDZWXJNDTKEW-UWVGGRQHSA-N 0 3 247.346 1.630 20 30 BDEDHN CCC(=NN(C)CCOC)c1cccc(N)c1 ZINC000814926572 586651795 /nfs/dbraw/zinc/65/17/95/586651795.db2.gz YYCYFYRUUXUPIG-UHFFFAOYSA-N 0 3 235.331 1.961 20 30 BDEDHN C#CCN(C)CCCNc1nc(C)nc(C)c1C ZINC000814928941 586652679 /nfs/dbraw/zinc/65/26/79/586652679.db2.gz NWUPIYCDJVACFQ-UHFFFAOYSA-N 0 3 246.358 1.769 20 30 BDEDHN C=CCC(F)(F)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000815527947 586686989 /nfs/dbraw/zinc/68/69/89/586686989.db2.gz WMFZDLJMWGBVDR-JTQLQIEISA-N 0 3 246.301 1.656 20 30 BDEDHN C=C(Cl)CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000817903369 586835698 /nfs/dbraw/zinc/83/56/98/586835698.db2.gz AAWINCKTOVKSBL-GHMZBOCLSA-N 0 3 230.739 1.096 20 30 BDEDHN C#Cc1cccnc1NC1CCN(C)CC1 ZINC000818030647 586863365 /nfs/dbraw/zinc/86/33/65/586863365.db2.gz MTUPPLMAHZOIHL-UHFFFAOYSA-N 0 3 215.300 1.569 20 30 BDEDHN C#CCN(C)CCCNC(=O)/C=C/CCC ZINC000818599355 586902554 /nfs/dbraw/zinc/90/25/54/586902554.db2.gz LZWFRABZVITRCN-VQHVLOKHSA-N 0 3 222.332 1.414 20 30 BDEDHN N#C[C@H]1CC[C@@H](NC(=O)c2cccc(CN)c2)C1 ZINC000818613601 586906698 /nfs/dbraw/zinc/90/66/98/586906698.db2.gz VEUKDTCXWPHUQA-WCQYABFASA-N 0 3 243.310 1.567 20 30 BDEDHN C#CCOCCNC[C@@H](O)c1ccccc1F ZINC000819231235 586941241 /nfs/dbraw/zinc/94/12/41/586941241.db2.gz RNOOZIKEPJWSSO-CYBMUJFWSA-N 0 3 237.274 1.099 20 30 BDEDHN N#CC(C(=O)C=C[C@H]1CCCO1)c1ccccn1 ZINC000819941126 587004326 /nfs/dbraw/zinc/00/43/26/587004326.db2.gz HQNVPFNOENZNHP-JIVBQCDMSA-N 0 3 242.278 1.993 20 30 BDEDHN C#C[C@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000820395076 587045912 /nfs/dbraw/zinc/04/59/12/587045912.db2.gz SUBFJONYMFXBGC-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000820422490 587047871 /nfs/dbraw/zinc/04/78/71/587047871.db2.gz JDUHUMDVKBUAEL-XQQFMLRXSA-N 0 3 249.358 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@]1(C)C=CCC1 ZINC000820687953 587066135 /nfs/dbraw/zinc/06/61/35/587066135.db2.gz FTTWCVURDXMLII-CQSZACIVSA-N 0 3 234.343 1.414 20 30 BDEDHN N#CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC000821816888 587139806 /nfs/dbraw/zinc/13/98/06/587139806.db2.gz SSZSYKWURPUDCZ-UHFFFAOYSA-N 0 3 235.331 1.234 20 30 BDEDHN CC(C)C#CC(=O)N[C@H](C)CN1CCCCC1 ZINC000821830236 587141274 /nfs/dbraw/zinc/14/12/74/587141274.db2.gz HKPFBGRTUJPUMD-CYBMUJFWSA-N 0 3 236.359 1.636 20 30 BDEDHN CC(C)C#CC(=O)NCCN1CCCCC1 ZINC000822093932 587152381 /nfs/dbraw/zinc/15/23/81/587152381.db2.gz BZUIPVFMWURQEX-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CC)C1 ZINC000822787962 587186332 /nfs/dbraw/zinc/18/63/32/587186332.db2.gz UECRIRODMQWJMW-RYUDHWBXSA-N 0 3 224.348 1.799 20 30 BDEDHN O=C(C#Cc1cccs1)NCCN1CCCC1 ZINC000823974172 587247694 /nfs/dbraw/zinc/24/76/94/587247694.db2.gz GEZBMMUGOAZLGY-UHFFFAOYSA-N 0 3 248.351 1.312 20 30 BDEDHN C=C[C@@H](O)C(=O)N(CCN(C)C)c1ccccc1 ZINC000824657875 587281517 /nfs/dbraw/zinc/28/15/17/587281517.db2.gz UZCCBBMAHYREOJ-CYBMUJFWSA-N 0 3 248.326 1.128 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)nc1C ZINC000824861776 587290569 /nfs/dbraw/zinc/29/05/69/587290569.db2.gz QCYRXCRNPSLBQA-NEPJUHHUSA-N 0 3 236.290 1.962 20 30 BDEDHN C=C1CN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000825129416 587305961 /nfs/dbraw/zinc/30/59/61/587305961.db2.gz PSFMOQWUIAOAOA-NSHDSACASA-N 0 3 208.305 1.258 20 30 BDEDHN CC(C)C#CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000826867108 587364468 /nfs/dbraw/zinc/36/44/68/587364468.db2.gz HAMPDIDMIWSNDF-ZDUSSCGKSA-N 0 3 234.343 1.246 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2ccnn2C)C1 ZINC000827438439 587381184 /nfs/dbraw/zinc/38/11/84/587381184.db2.gz PWQGRALWJOGUIU-JSGCOSHPSA-N 0 3 249.358 1.537 20 30 BDEDHN C#C[C@@H](NC1CSC1)C1CCOCC1 ZINC000827565021 587388338 /nfs/dbraw/zinc/38/83/38/587388338.db2.gz HOHVVEMDNMQAFP-LLVKDONJSA-N 0 3 211.330 1.120 20 30 BDEDHN C#C[C@@H](NCc1ccncc1)C1CCOCC1 ZINC000827571255 587389243 /nfs/dbraw/zinc/38/92/43/587389243.db2.gz XUVYLEUWJAGCGW-CQSZACIVSA-N 0 3 230.311 1.600 20 30 BDEDHN C#C[C@@H](NCc1ccoc1)C1CCOCC1 ZINC000827570974 587389281 /nfs/dbraw/zinc/38/92/81/587389281.db2.gz VHEHDGFRNCIKHC-CYBMUJFWSA-N 0 3 219.284 1.798 20 30 BDEDHN C#C[C@H](NCc1c(C)n[nH]c1C)C1CCOCC1 ZINC000827571210 587389595 /nfs/dbraw/zinc/38/95/95/587389595.db2.gz WUEJWOMAAPIFBL-AWEZNQCLSA-N 0 3 247.342 1.545 20 30 BDEDHN C#C[C@@H](NCCc1ccncc1C)[C@@H]1CCCO1 ZINC000828307180 587433603 /nfs/dbraw/zinc/43/36/03/587433603.db2.gz LRPDMJPCJIQISM-CABCVRRESA-N 0 3 244.338 1.703 20 30 BDEDHN C#C[C@@H](NCCc1cscn1)[C@H]1CCCO1 ZINC000828955023 587475516 /nfs/dbraw/zinc/47/55/16/587475516.db2.gz ZPCDBNBPCGLFFJ-VXGBXAGGSA-N 0 3 236.340 1.456 20 30 BDEDHN C#CC[C@@H]1CCCN(CC(=O)NCC=C)C1 ZINC000829773776 587515035 /nfs/dbraw/zinc/51/50/35/587515035.db2.gz JMBKZKBAJHECAK-GFCCVEGCSA-N 0 3 220.316 1.024 20 30 BDEDHN C#CC[C@H]1CCCN(CCN2CCOC2=O)C1 ZINC000829779377 587515098 /nfs/dbraw/zinc/51/50/98/587515098.db2.gz SFHKVDUJUSQNGD-LBPRGKRZSA-N 0 3 236.315 1.174 20 30 BDEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCC=C)C1 ZINC000829773791 587515425 /nfs/dbraw/zinc/51/54/25/587515425.db2.gz JRUBYRFKDAGJJX-STQMWFEESA-N 0 3 234.343 1.412 20 30 BDEDHN C#CC[C@@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000829789260 587516677 /nfs/dbraw/zinc/51/66/77/587516677.db2.gz QXLLGLLFIPKJCM-CYBMUJFWSA-N 0 3 231.343 1.964 20 30 BDEDHN C#CC[C@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000829809780 587518341 /nfs/dbraw/zinc/51/83/41/587518341.db2.gz HRMHOQFRXXXICO-NSHDSACASA-N 0 3 203.289 1.645 20 30 BDEDHN C#CC[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000829809780 587518343 /nfs/dbraw/zinc/51/83/43/587518343.db2.gz HRMHOQFRXXXICO-NSHDSACASA-N 0 3 203.289 1.645 20 30 BDEDHN C#CC[C@@H]1CCCN([C@H]2CCN(CC=C)C2=O)C1 ZINC000829815661 587519991 /nfs/dbraw/zinc/51/99/91/587519991.db2.gz QJJMSMRCZHUNSU-KGLIPLIRSA-N 0 3 246.354 1.509 20 30 BDEDHN N#CC[C@@]1(O)CCN(CC2CC(F)(F)C2)C1 ZINC000829998100 587531453 /nfs/dbraw/zinc/53/14/53/587531453.db2.gz HPMDFYKSLXUXMY-SNVBAGLBSA-N 0 3 230.258 1.382 20 30 BDEDHN C=CCCN1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000830053689 587534353 /nfs/dbraw/zinc/53/43/53/587534353.db2.gz OXEHGJORSGJHCP-BETUJISGSA-N 0 3 226.364 1.604 20 30 BDEDHN C=CCCC(=O)NC[C@H](CN(C)C)OCC ZINC000831751470 587629777 /nfs/dbraw/zinc/62/97/77/587629777.db2.gz LESVFHBDJRBWLA-LLVKDONJSA-N 0 3 228.336 1.036 20 30 BDEDHN C#CCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000832283646 587653017 /nfs/dbraw/zinc/65/30/17/587653017.db2.gz GCVOOZOUJDBLAJ-LLVKDONJSA-N 0 3 248.292 1.826 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC000834655664 587762965 /nfs/dbraw/zinc/76/29/65/587762965.db2.gz CRYILSNPMMFXKJ-ZETCQYMHSA-N 0 3 245.238 1.309 20 30 BDEDHN C[C@@H](O)CNN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834982840 587776060 /nfs/dbraw/zinc/77/60/60/587776060.db2.gz MBVMLMFLSBKQBG-DYWVNOLRSA-N 0 3 247.342 1.722 20 30 BDEDHN C#CCN(C)CCCNC(=O)NCCCCC ZINC000836197184 587828557 /nfs/dbraw/zinc/82/85/57/587828557.db2.gz RBGUXELIUDQUMW-UHFFFAOYSA-N 0 3 239.363 1.431 20 30 BDEDHN C#Cc1cccc(CNC(=O)[C@@H](CC)N(C)C)c1 ZINC000837106399 587854291 /nfs/dbraw/zinc/85/42/91/587854291.db2.gz YVWVCNFXEWVXTR-CQSZACIVSA-N 0 3 244.338 1.624 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1cccc(C)n1 ZINC000837158148 587856536 /nfs/dbraw/zinc/85/65/36/587856536.db2.gz ZXKRKUHTAIATJL-UHFFFAOYSA-N 0 3 247.342 1.466 20 30 BDEDHN CN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC000837317307 587865854 /nfs/dbraw/zinc/86/58/54/587865854.db2.gz QPLCISLRKMXEND-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN CN(CC1CCN(C)CC1)C(=O)C#CC1CC1 ZINC000837393867 587870582 /nfs/dbraw/zinc/87/05/82/587870582.db2.gz GXATWKHMHMZKSA-UHFFFAOYSA-N 0 3 234.343 1.200 20 30 BDEDHN CCN1CC[C@H](N(C)C(=O)C#CC2CC2)[C@H](C)C1 ZINC000837435030 587872904 /nfs/dbraw/zinc/87/29/04/587872904.db2.gz QLPWQFILJADVJP-OCCSQVGLSA-N 0 3 248.370 1.589 20 30 BDEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H](C)CO ZINC000841629349 587962142 /nfs/dbraw/zinc/96/21/42/587962142.db2.gz MLTKKZJGNKNELM-NSHDSACASA-N 0 3 235.331 1.365 20 30 BDEDHN c1ccc2c(c1)CCCCC2=NNC1=NCCN1 ZINC000841661126 587970087 /nfs/dbraw/zinc/97/00/87/587970087.db2.gz KMZMYJFQVSQQRK-UHFFFAOYSA-N 0 3 242.326 1.666 20 30 BDEDHN C[C@H]1CN(C)C[C@H]1NCC1(C#N)CCC1 ZINC000841898232 587982626 /nfs/dbraw/zinc/98/26/26/587982626.db2.gz KVSIPAGPJLXJMT-WDEREUQCSA-N 0 3 207.321 1.220 20 30 BDEDHN C#C[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000841980462 587987545 /nfs/dbraw/zinc/98/75/45/587987545.db2.gz SXURBENDWDHFFL-JTQLQIEISA-N 0 3 243.310 1.111 20 30 BDEDHN FC1(F)CCC(=Nn2cnnc2)CC1 ZINC000842521760 588032664 /nfs/dbraw/zinc/03/26/64/588032664.db2.gz DQNDZSIVMFNYFJ-UHFFFAOYSA-N 0 3 200.192 1.692 20 30 BDEDHN C#CC[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000843998720 588153810 /nfs/dbraw/zinc/15/38/10/588153810.db2.gz HHXDGXBXWIIRDV-ZDUSSCGKSA-N 0 3 248.370 1.590 20 30 BDEDHN C#CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000844045574 588157869 /nfs/dbraw/zinc/15/78/69/588157869.db2.gz LZPWGQGEBSHQEH-GFCCVEGCSA-N 0 3 222.332 1.198 20 30 BDEDHN C#CCN(C[C@@H]1CCC(=O)N1)C1CCCCC1 ZINC000844279668 588179784 /nfs/dbraw/zinc/17/97/84/588179784.db2.gz FJNPUDYJKPZMSQ-LBPRGKRZSA-N 0 3 234.343 1.533 20 30 BDEDHN C=C(C)CONC(=O)NC1CCN(CC)CC1 ZINC000844284781 588180781 /nfs/dbraw/zinc/18/07/81/588180781.db2.gz WQMDRWXGOHNHGR-UHFFFAOYSA-N 0 3 241.335 1.278 20 30 BDEDHN C=C[C@@H](C)ONC(=O)N(C)CCN1CCCC1 ZINC000845631719 588238482 /nfs/dbraw/zinc/23/84/82/588238482.db2.gz FULLZNCSSIPHMG-LLVKDONJSA-N 0 3 241.335 1.230 20 30 BDEDHN C#CCOc1ccccc1CN(C)[C@H](C)CCO ZINC000846106561 588256586 /nfs/dbraw/zinc/25/65/86/588256586.db2.gz CJOHAHZAHJSVFA-CYBMUJFWSA-N 0 3 247.338 1.901 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@H](CC)OC[C@@H]1C ZINC000846430066 588265988 /nfs/dbraw/zinc/26/59/88/588265988.db2.gz AXKVJTBYHGSZBS-RYUDHWBXSA-N 0 3 240.347 1.130 20 30 BDEDHN C#CCCCN1CCC(N2CN=NC2=O)CC1 ZINC000846885879 588294446 /nfs/dbraw/zinc/29/44/46/588294446.db2.gz PVYTZAMECMBIJQ-UHFFFAOYSA-N 0 3 234.303 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BDEDHN C#C[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000847297247 588310366 /nfs/dbraw/zinc/31/03/66/588310366.db2.gz GDSSLLRNVYFUAG-CHWSQXEVSA-N 0 3 249.358 1.135 20 30 BDEDHN CCC(C#N)C(=O)N[C@]1(C)CC(C)(C)OC1=O ZINC000848144677 588361307 /nfs/dbraw/zinc/36/13/07/588361307.db2.gz AEOOCJYEXAZACS-QPUJVOFHSA-N 0 3 238.287 1.137 20 30 BDEDHN c1cnc(N=NC2CCCN3CCCC[C@@H]23)cn1 ZINC000848404427 588377867 /nfs/dbraw/zinc/37/78/67/588377867.db2.gz LBSVZQOXCUSORN-LBPRGKRZSA-N 0 3 245.330 1.893 20 30 BDEDHN CC(C)(C#N)c1ccc(C=NNC(=N)N)cc1 ZINC000848404890 588378082 /nfs/dbraw/zinc/37/80/82/588378082.db2.gz SIHUOGZUEKRJJY-UHFFFAOYSA-N 0 3 229.287 1.305 20 30 BDEDHN C=CCCCC(=O)N[C@H](CN)C(F)(F)F ZINC000848437909 588384925 /nfs/dbraw/zinc/38/49/25/588384925.db2.gz GCCQFDKQRAHHMU-SSDOTTSWSA-N 0 3 224.226 1.349 20 30 BDEDHN Cn1c(Cl)ncc1CNCCCCC#N ZINC000848532856 588393679 /nfs/dbraw/zinc/39/36/79/588393679.db2.gz BVWBSQAEJXLQLB-UHFFFAOYSA-N 0 3 226.711 1.857 20 30 BDEDHN N#CC1(CNC(=N)Nc2ccccn2)CC1 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ZINC000876680863 590229760 /nfs/dbraw/zinc/22/97/60/590229760.db2.gz UOTDNQCSIBCBSD-MRVPVSSYSA-N 0 3 216.712 1.373 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(C)(C)OC ZINC000876702857 590231559 /nfs/dbraw/zinc/23/15/59/590231559.db2.gz FXZGYTMXPINXEY-VIFPVBQESA-N 0 3 248.754 1.340 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000876806761 590242804 /nfs/dbraw/zinc/24/28/04/590242804.db2.gz SUVGNDXQCDGEPC-GUBZILKMSA-N 0 3 246.738 1.092 20 30 BDEDHN CC(C)(C)C#CC(=O)N[C@H]1CNCCC1(F)F ZINC000876866953 590251506 /nfs/dbraw/zinc/25/15/06/590251506.db2.gz YVFKPMNILRTXHW-VIFPVBQESA-N 0 3 244.285 1.149 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CC(F)F ZINC000876885173 590253677 /nfs/dbraw/zinc/25/36/77/590253677.db2.gz MFJLFZDKHRPNLB-SSDOTTSWSA-N 0 3 240.681 1.570 20 30 BDEDHN C=CCCNC(=O)[C@H](N)CC(=C)Cl ZINC000876962992 590262150 /nfs/dbraw/zinc/26/21/50/590262150.db2.gz ZQUUPVMXGHGIGL-MRVPVSSYSA-N 0 3 202.685 1.149 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CC2(CCC2)C1 ZINC000876972147 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C=CCN(C)C[C@H](O)CC1(O)CCCC1 ZINC000878462275 590571816 /nfs/dbraw/zinc/57/18/16/590571816.db2.gz STYAMUWKDYCCLB-LLVKDONJSA-N 0 3 213.321 1.160 20 30 BDEDHN N#CCC1(CN2CCC3(CNC(=O)O3)CC2)CC1 ZINC000878480467 590576662 /nfs/dbraw/zinc/57/66/62/590576662.db2.gz VCIIIARWAYZKBW-UHFFFAOYSA-N 0 3 249.314 1.255 20 30 BDEDHN C#C[C@H](C)N(C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878517359 590585217 /nfs/dbraw/zinc/58/52/17/590585217.db2.gz QPMXRJXFJYRGAQ-STQMWFEESA-N 0 3 239.359 1.386 20 30 BDEDHN C#CCCCCCN1CCOC[C@H]1CCOC ZINC000878636935 590598889 /nfs/dbraw/zinc/59/88/89/590598889.db2.gz PDPZPKIMHBSDDF-CQSZACIVSA-N 0 3 239.359 1.917 20 30 BDEDHN C=CC[C@@H](C)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663981 590605700 /nfs/dbraw/zinc/60/57/00/590605700.db2.gz VNLABZQBLXMBDE-GHMZBOCLSA-N 0 3 226.320 1.724 20 30 BDEDHN C=CC[C@H](C)N1CCN(C(C)(C)COC)CC1 ZINC000878726951 590617206 /nfs/dbraw/zinc/61/72/06/590617206.db2.gz JFOJERABAJATAE-ZDUSSCGKSA-N 0 3 240.391 1.994 20 30 BDEDHN C=C/C=C\CCN1CC[C@@](O)(CC#N)C1 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1.438 20 30 BDEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)F ZINC001154101738 962708979 /nfs/dbraw/zinc/70/89/79/962708979.db2.gz WROVXJNOEOTSJJ-UHFFFAOYSA-N 0 3 236.718 1.583 20 30 BDEDHN C=C(C)C[NH2+]CCCNC(=O)c1ccccc1[O-] ZINC001154759401 962842108 /nfs/dbraw/zinc/84/21/08/962842108.db2.gz PMHMIMYOHMAPFX-UHFFFAOYSA-N 0 3 248.326 1.678 20 30 BDEDHN C=CCN1CC[C@](C)(NC(=O)CC2CCC2)C1 ZINC001270565913 963014793 /nfs/dbraw/zinc/01/47/93/963014793.db2.gz HOCYOBPREADUOB-AWEZNQCLSA-N 0 3 236.359 1.943 20 30 BDEDHN Cc1cc(CN)nn1-c1cc(C#N)cc(Cl)n1 ZINC001156038142 963231898 /nfs/dbraw/zinc/23/18/98/963231898.db2.gz AWOFGULQSIBSPA-UHFFFAOYSA-N 0 3 247.689 1.560 20 30 BDEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001040037023 963310974 /nfs/dbraw/zinc/31/09/74/963310974.db2.gz NNYUTFDFASJRAP-HNNXBMFYSA-N 0 3 248.370 1.734 20 30 BDEDHN O=C1[C@@H]([NH2+]CC2CCCCCC2)CCCN1[O-] ZINC000895166452 963343570 /nfs/dbraw/zinc/34/35/70/963343570.db2.gz QULHUAZZDGTKQK-LBPRGKRZSA-N 0 3 240.347 1.927 20 30 BDEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC23CC3)[C@H]1CC ZINC001087739014 963398888 /nfs/dbraw/zinc/39/88/88/963398888.db2.gz DHMCQVWDPOFSED-RWMBFGLXSA-N 0 3 248.370 1.942 20 30 BDEDHN CC#CCCCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001156591036 963401837 /nfs/dbraw/zinc/40/18/37/963401837.db2.gz RUXYGYPLTFVIKY-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN N#Cc1ccc(-n2nc(CN)c3ccccc32)nc1 ZINC001156856410 963475174 /nfs/dbraw/zinc/47/51/74/963475174.db2.gz SUJGTMNICIZJEY-UHFFFAOYSA-N 0 3 249.277 1.751 20 30 BDEDHN C#CCN1C[C@@H]2CN(C(=O)/C=C(/C)CC)C[C@@H]2C1 ZINC001271853367 963666253 /nfs/dbraw/zinc/66/62/53/963666253.db2.gz IYXGMZSXOSJGPA-IONAJQSGSA-N 0 3 246.354 1.366 20 30 BDEDHN CC(C)C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)N[O-] ZINC001168104261 963718453 /nfs/dbraw/zinc/71/84/53/963718453.db2.gz LBELXOJAROCGLU-DCAQKATOSA-N 0 3 244.335 1.064 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)C1=CCCC1 ZINC001271989999 963738578 /nfs/dbraw/zinc/73/85/78/963738578.db2.gz PHRCNBMAUFFIBY-UHFFFAOYSA-N 0 3 234.343 1.510 20 30 BDEDHN 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ZINC001158813284 963931694 /nfs/dbraw/zinc/93/16/94/963931694.db2.gz LWGUJRDLAHQUEL-NSHDSACASA-N 0 3 248.330 1.344 20 30 BDEDHN Cc1cnc(NCC2CN(C)C2)c(/C=N/O)c1 ZINC001159220523 964023564 /nfs/dbraw/zinc/02/35/64/964023564.db2.gz ZRDBCJCSWDSKJX-GIDUJCDVSA-N 0 3 234.303 1.172 20 30 BDEDHN CC(C)(S)CNc1cc2c(nn1)CCNC2 ZINC001159267775 964044807 /nfs/dbraw/zinc/04/48/07/964044807.db2.gz FDCKOXOVPNOFGM-UHFFFAOYSA-N 0 3 238.360 1.243 20 30 BDEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CC2)[C@H]1C ZINC001088583737 964120874 /nfs/dbraw/zinc/12/08/74/964120874.db2.gz KGKSOWYJXMNGSW-NEPJUHHUSA-N 0 3 234.343 1.389 20 30 BDEDHN C=CCCCC(=O)N(C)CCN(C)C[C@H](C)O ZINC001272097740 964212448 /nfs/dbraw/zinc/21/24/48/964212448.db2.gz GFLMEBJJEHRZQK-LBPRGKRZSA-N 0 3 242.363 1.114 20 30 BDEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CC12CCC2 ZINC001482953096 964260201 /nfs/dbraw/zinc/26/02/01/964260201.db2.gz HWUFUNKQGMNAGF-ZDUSSCGKSA-N 0 3 248.370 1.638 20 30 BDEDHN C#CC1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1 ZINC001160911173 964434397 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ZINC000086035768 388098981 /nfs/dbraw/zinc/09/89/81/388098981.db2.gz ZHCMYYNFXUHOCB-UHFFFAOYSA-N 0 3 230.311 1.846 20 30 BDEDHN N#CC1(c2ccccc2)CC(NCCCO)C1 ZINC000086036457 388099443 /nfs/dbraw/zinc/09/94/43/388099443.db2.gz QRRNHFKGRYLNDY-UHFFFAOYSA-N 0 3 230.311 1.582 20 30 BDEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000448792169 388111780 /nfs/dbraw/zinc/11/17/80/388111780.db2.gz HUBCZLAOUWVNTM-JTQLQIEISA-N 0 3 222.332 1.552 20 30 BDEDHN CN(C)CCNC(=O)Nc1cccc(CC#N)c1 ZINC000455900913 388170608 /nfs/dbraw/zinc/17/06/08/388170608.db2.gz CXKLURIEIWEHNU-UHFFFAOYSA-N 0 3 246.314 1.436 20 30 BDEDHN COc1nccnc1CNCC(C)(C)CCC#N ZINC000449332542 388174451 /nfs/dbraw/zinc/17/44/51/388174451.db2.gz RWKXZYJNSKWWCW-UHFFFAOYSA-N 0 3 248.330 1.905 20 30 BDEDHN CCCCN(C)CCNC(=O)[C@]1(C#N)C[C@H]1C ZINC000448962326 388123573 /nfs/dbraw/zinc/12/35/73/388123573.db2.gz PZEUNGNCVFWVRB-YPMHNXCESA-N 0 3 237.347 1.384 20 30 BDEDHN C=C(C)CCNC(=O)NC1CCN(C)CC1 ZINC000454625806 388125667 /nfs/dbraw/zinc/12/56/67/388125667.db2.gz UVHDNTZJHTZUAV-UHFFFAOYSA-N 0 3 225.336 1.346 20 30 BDEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000454651138 388127035 /nfs/dbraw/zinc/12/70/35/388127035.db2.gz UXHDNMLLUBHEKI-VXGBXAGGSA-N 0 3 239.363 1.735 20 30 BDEDHN C[C@@H](O)CN[C@H]1CCc2cc(C#N)ccc21 ZINC000591764852 388139436 /nfs/dbraw/zinc/13/94/36/388139436.db2.gz LTWKGRMKPPCTNY-RNCFNFMXSA-N 0 3 216.284 1.516 20 30 BDEDHN C=CC[C@@H](C)N[C@@H](C)CS(=O)(=O)CC ZINC000162322723 388150701 /nfs/dbraw/zinc/15/07/01/388150701.db2.gz NUSALMYFWSPWFJ-ZJUUUORDSA-N 0 3 219.350 1.364 20 30 BDEDHN C=C(C)[C@@H](CO)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000646134618 388152106 /nfs/dbraw/zinc/15/21/06/388152106.db2.gz MRWAXFKGZBTHAF-CHWSQXEVSA-N 0 3 239.359 1.957 20 30 BDEDHN C#CCN(CC#CC)CC[C@@H]1CCOC1 ZINC000490712637 388248766 /nfs/dbraw/zinc/24/87/66/388248766.db2.gz GMFHFXVBEXSGJS-CYBMUJFWSA-N 0 3 205.301 1.372 20 30 BDEDHN C#CCN(C(=O)/C=C\CN(C)C)C1CCCC1 ZINC000490804588 388255551 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/nfs/dbraw/zinc/21/40/75/388214075.db2.gz RACNNSQIDUEDBY-YPMHNXCESA-N 0 3 241.331 1.341 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn2ccccc12 ZINC000449520236 388222397 /nfs/dbraw/zinc/22/23/97/388222397.db2.gz OWIVYHYIVKMLGQ-OCCSQVGLSA-N 0 3 243.310 1.767 20 30 BDEDHN C=C(CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC000456815298 388224764 /nfs/dbraw/zinc/22/47/64/388224764.db2.gz XPNZDXHIHFQOCU-NSHDSACASA-N 0 3 212.337 1.655 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccncc1 ZINC000449549523 388229630 /nfs/dbraw/zinc/22/96/30/388229630.db2.gz YSJFVURBFDLUMC-OLZOCXBDSA-N 0 3 218.300 1.905 20 30 BDEDHN C#CCN1CCC(C(=O)NC[C@H]2C[C@H]2C)CC1 ZINC000490575237 388240597 /nfs/dbraw/zinc/24/05/97/388240597.db2.gz PNFTUKAEOWZDKC-DGCLKSJQSA-N 0 3 234.343 1.104 20 30 BDEDHN C[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000037258052 388242352 /nfs/dbraw/zinc/24/23/52/388242352.db2.gz QPJSWLQDLYZSJT-ZJUUUORDSA-N 0 3 204.273 1.590 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C)CC1 ZINC000490617860 388242998 /nfs/dbraw/zinc/24/29/98/388242998.db2.gz SJOCASKLQNIIRT-JSGCOSHPSA-N 0 3 248.370 1.636 20 30 BDEDHN C#C[C@H](NC(=O)CN(C)CCC)C(C)C ZINC000490629521 388243922 /nfs/dbraw/zinc/24/39/22/388243922.db2.gz MBPRMUXAVJATIQ-NSHDSACASA-N 0 3 210.321 1.102 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)[C@@H](CC)N(CC)CC ZINC000491288263 388282664 /nfs/dbraw/zinc/28/26/64/388282664.db2.gz QLSZYXREMUHZGC-VXGBXAGGSA-N 0 3 224.348 1.587 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CC)CC ZINC000451604127 388283259 /nfs/dbraw/zinc/28/32/59/388283259.db2.gz GCJYTHVDCMYTJS-TUAOUCFPSA-N 0 3 240.347 1.176 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccccc1 ZINC000451609812 388283827 /nfs/dbraw/zinc/28/38/27/388283827.db2.gz WGBOVNQYXRSNJO-OLZOCXBDSA-N 0 3 246.310 1.558 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@H](C)C1CCC1 ZINC000491339496 388285942 /nfs/dbraw/zinc/28/59/42/388285942.db2.gz QIUGXDBZAYTGLX-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN C#C[C@H](NC[C@@H](O)Cc1ccccc1)C(C)C ZINC000491426767 388293828 /nfs/dbraw/zinc/29/38/28/388293828.db2.gz HNURCJMRSKIEAG-GJZGRUSLSA-N 0 3 231.339 1.837 20 30 BDEDHN CC#CCN[C@H]1CCC[C@H]1C(=O)OCC ZINC000451774911 388295071 /nfs/dbraw/zinc/29/50/71/388295071.db2.gz PFMQFMQVTVNGHU-MNOVXSKESA-N 0 3 209.289 1.331 20 30 BDEDHN C#CC(C)(C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000491514634 388300177 /nfs/dbraw/zinc/30/01/77/388300177.db2.gz JNTDUNOABYJDAC-SRVKXCTJSA-N 0 3 236.359 1.776 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000491537350 388302019 /nfs/dbraw/zinc/30/20/19/388302019.db2.gz PWJCUFWJNKYBRX-ZJUUUORDSA-N 0 3 207.273 1.036 20 30 BDEDHN C#CCN(CC1(CC(=O)OC)CC1)C1CC1 ZINC000491543943 388303176 /nfs/dbraw/zinc/30/31/76/388303176.db2.gz IWUUMULLSATISL-UHFFFAOYSA-N 0 3 221.300 1.427 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC000491619915 388305530 /nfs/dbraw/zinc/30/55/30/388305530.db2.gz DZEJOXRJKKZSLQ-HNNXBMFYSA-N 0 3 248.370 1.804 20 30 BDEDHN C#CCN(C)CCCNC(=O)/C=C\C(C)(C)C ZINC000491622328 388305677 /nfs/dbraw/zinc/30/56/77/388305677.db2.gz ICGGTXWLTCHQEY-HJWRWDBZSA-N 0 3 236.359 1.660 20 30 BDEDHN C#CCN1CCC(C(=O)NCC(=C)CC)CC1 ZINC000491643018 388307736 /nfs/dbraw/zinc/30/77/36/388307736.db2.gz CZLBKCOXBDACAT-UHFFFAOYSA-N 0 3 234.343 1.414 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000491681956 388310688 /nfs/dbraw/zinc/31/06/88/388310688.db2.gz PECBSKZGRGJJOD-PWSUYJOCSA-N 0 3 220.316 1.022 20 30 BDEDHN C#CCN(C)CCCN(C)C(=O)OC(C)(C)C ZINC000491690543 388311073 /nfs/dbraw/zinc/31/10/73/388311073.db2.gz CYQGFIJYIIAJBD-UHFFFAOYSA-N 0 3 240.347 1.808 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@H]2CC23CC3)CC1 ZINC000491718809 388314682 /nfs/dbraw/zinc/31/46/82/388314682.db2.gz WKJBQEWIYIGHPX-GFCCVEGCSA-N 0 3 232.327 1.000 20 30 BDEDHN C#CCN(CCO[C@@H]1CCCCO1)C1CC1 ZINC000491725982 388315056 /nfs/dbraw/zinc/31/50/56/388315056.db2.gz ISIYCMUWEIMFEG-CYBMUJFWSA-N 0 3 223.316 1.627 20 30 BDEDHN C#C[C@@H](C)N(C)CC1(CC(=O)OC)CC1 ZINC000491757008 388318487 /nfs/dbraw/zinc/31/84/87/388318487.db2.gz BIWPOELJAHCQFG-SNVBAGLBSA-N 0 3 209.289 1.283 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000491777919 388320059 /nfs/dbraw/zinc/32/00/59/388320059.db2.gz GSNIHBVZCLKCHF-GHMZBOCLSA-N 0 3 237.347 1.180 20 30 BDEDHN C#C[C@@H](CC)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000491777924 388320171 /nfs/dbraw/zinc/32/01/71/388320171.db2.gz GSNIHBVZCLKCHF-QWRGUYRKSA-N 0 3 237.347 1.180 20 30 BDEDHN C#CCN(CCC(=O)N1CCCCC1)C1CC1 ZINC000491802733 388321576 /nfs/dbraw/zinc/32/15/76/388321576.db2.gz GTNSCTDHDAZKPJ-UHFFFAOYSA-N 0 3 234.343 1.487 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@H](C)C2CC2)CC1 ZINC000491812324 388322829 /nfs/dbraw/zinc/32/28/29/388322829.db2.gz NTQZKZHPESSWCI-NSHDSACASA-N 0 3 234.343 1.246 20 30 BDEDHN C#CCNC(=O)C(C#N)CCc1ccccc1 ZINC000491040411 388266630 /nfs/dbraw/zinc/26/66/30/388266630.db2.gz UBQOMUPAIMIBSU-ZDUSSCGKSA-N 0 3 226.279 1.508 20 30 BDEDHN C#CC(C)(C)N(C)CCc1cccnc1 ZINC000491126314 388272078 /nfs/dbraw/zinc/27/20/78/388272078.db2.gz MXJFAFHLCJZFFY-UHFFFAOYSA-N 0 3 202.301 1.968 20 30 BDEDHN C#CCN1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000491126989 388272250 /nfs/dbraw/zinc/27/22/50/388272250.db2.gz VAWYCCPIALMWIJ-UHFFFAOYSA-N 0 3 237.343 1.921 20 30 BDEDHN C#CCN(C)CCCO[C@H]1CCCCO1 ZINC000491143586 388272677 /nfs/dbraw/zinc/27/26/77/388272677.db2.gz GKAXPYHBVUPADK-LBPRGKRZSA-N 0 3 211.305 1.485 20 30 BDEDHN CN(C)C/C=C/C(=O)N(C)c1cccc(C#N)c1 ZINC000491852543 388351438 /nfs/dbraw/zinc/35/14/38/388351438.db2.gz UGIKYPYIPUYDPU-VMPITWQZSA-N 0 3 243.310 1.639 20 30 BDEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228034998 388376752 /nfs/dbraw/zinc/37/67/52/388376752.db2.gz CKIQFWGPJBBAIK-RRFJBIMHSA-N 0 3 242.322 1.761 20 30 BDEDHN C=C(Cl)CNC(=O)[C@]1(C)CCCCN1 ZINC000163699892 388384006 /nfs/dbraw/zinc/38/40/06/388384006.db2.gz OQROWIOWDJVQBQ-JTQLQIEISA-N 0 3 216.712 1.387 20 30 BDEDHN CN(C)C1CN(c2ccc(C#N)cc2)C1 ZINC000271697457 388399014 /nfs/dbraw/zinc/39/90/14/388399014.db2.gz BRANDMWOKBWWGI-UHFFFAOYSA-N 0 3 201.273 1.308 20 30 BDEDHN COC[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271770352 388402917 /nfs/dbraw/zinc/40/29/17/388402917.db2.gz JRUHWWILKNHOJN-CYBMUJFWSA-N 0 3 246.310 1.144 20 30 BDEDHN C[C@H](NCCO)c1ccc(C#N)c(F)c1 ZINC000134002062 388472879 /nfs/dbraw/zinc/47/28/79/388472879.db2.gz VROWHRXMCWHTCR-QMMMGPOBSA-N 0 3 208.236 1.340 20 30 BDEDHN CO[C@H]1C[C@H]2C[C@@H](NC[C@H](C)C#N)C[C@H]2C1 ZINC000517130250 388538850 /nfs/dbraw/zinc/53/88/50/388538850.db2.gz IHCHYADORREGEW-LBELIVKGSA-N 0 3 222.332 1.939 20 30 BDEDHN CC[C@@H]1CCN1C[C@H](O)CC1(C#N)CC1 ZINC000528513896 388539623 /nfs/dbraw/zinc/53/96/23/388539623.db2.gz WRWQZRZTHXLHJS-GHMZBOCLSA-N 0 3 208.305 1.525 20 30 BDEDHN C=CCCCCN1CCc2nnc(NC)cc2C1 ZINC000649287684 388545164 /nfs/dbraw/zinc/54/51/64/388545164.db2.gz FCCKOCDTVDEWQJ-UHFFFAOYSA-N 0 3 246.358 1.655 20 30 BDEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000078529160 388504609 /nfs/dbraw/zinc/50/46/09/388504609.db2.gz 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20 30 BDEDHN C#C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCCO1 ZINC000775573007 585680624 /nfs/dbraw/zinc/68/06/24/585680624.db2.gz VWWXJOSYNDIHCR-FAAHXZRKSA-N 0 3 248.370 1.240 20 30 BDEDHN C#C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCCO1 ZINC000775574015 585680663 /nfs/dbraw/zinc/68/06/63/585680663.db2.gz MZPSBSUVWHPBNM-UXOAXIEHSA-N 0 3 248.370 1.382 20 30 BDEDHN C#C[C@H](N[C@H](COC)CC(C)C)[C@H]1CCCO1 ZINC000775574010 585680798 /nfs/dbraw/zinc/68/07/98/585680798.db2.gz MZPOCPHUHRFAOT-MELADBBJSA-N 0 3 239.359 1.818 20 30 BDEDHN CC(=O)OC1CCN(CCC(C)(C)C#N)CC1 ZINC000776591370 585701845 /nfs/dbraw/zinc/70/18/45/585701845.db2.gz OHWHHMIKBWZHJY-UHFFFAOYSA-N 0 3 238.331 1.954 20 30 BDEDHN C=C(C)CN(C)Cc1ccc(OCC(N)=O)cc1 ZINC000778230950 585728520 /nfs/dbraw/zinc/72/85/20/585728520.db2.gz ILAWGMIVGQGJON-UHFFFAOYSA-N 0 3 248.326 1.559 20 30 BDEDHN CC(C)[C@H]1CC(=NNC2=N[C@@H](C)CN2)CCO1 ZINC000779792896 585763978 /nfs/dbraw/zinc/76/39/78/585763978.db2.gz PWHHTJQXKITLIU-GXSJLCMTSA-N 0 3 238.335 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N#CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785708552 585878740 /nfs/dbraw/zinc/87/87/40/585878740.db2.gz JJORFQPTQCJAKA-UHFFFAOYSA-N 0 3 244.294 1.963 20 30 BDEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000786297051 585889367 /nfs/dbraw/zinc/88/93/67/585889367.db2.gz NHFDJNFEXORGCT-JTQLQIEISA-N 0 3 247.298 1.258 20 30 BDEDHN CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550196 585894981 /nfs/dbraw/zinc/89/49/81/585894981.db2.gz NLYQGBGOEIPQTE-LBPRGKRZSA-N 0 3 230.267 1.340 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)CC(C)(C)C#N ZINC000787992621 585918489 /nfs/dbraw/zinc/91/84/89/585918489.db2.gz KYECUXWCFCPZJR-LLVKDONJSA-N 0 3 239.363 1.629 20 30 BDEDHN C#C[C@H](CCC)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000791027812 585972389 /nfs/dbraw/zinc/97/23/89/585972389.db2.gz ZKSKVHTWZXYOSM-VXGBXAGGSA-N 0 3 237.347 1.182 20 30 BDEDHN CCN1CCC(=NN(C)CCOC)[C@@H](C)C1 ZINC000794962901 586057641 /nfs/dbraw/zinc/05/76/41/586057641.db2.gz AOURLJOPZMYOCP-NSHDSACASA-N 0 3 227.352 1.282 20 30 BDEDHN c1ncc(N=NC2CCN3CCC[C@H]23)cn1 ZINC000794971101 586059975 /nfs/dbraw/zinc/05/99/75/586059975.db2.gz GQFCIUUBZVXRJY-LLVKDONJSA-N 0 3 217.276 1.113 20 30 BDEDHN C=CCNN=Cc1ccc(N(C)C)cc1 ZINC000795004216 586063993 /nfs/dbraw/zinc/06/39/93/586063993.db2.gz XZGRRBBBTJRSMM-UHFFFAOYSA-N 0 3 203.289 1.862 20 30 BDEDHN C#CCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796331786 586100917 /nfs/dbraw/zinc/10/09/17/586100917.db2.gz NRHZNSXGOXTCKM-NXEZZACHSA-N 0 3 235.249 1.502 20 30 BDEDHN CN(Cc1ccc(OCC#N)cc1)C1(CO)CC1 ZINC000796500316 586105336 /nfs/dbraw/zinc/10/53/36/586105336.db2.gz FLXDWLADZBMIFW-UHFFFAOYSA-N 0 3 246.310 1.546 20 30 BDEDHN C#CCCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000796558648 586106646 /nfs/dbraw/zinc/10/66/46/586106646.db2.gz GOMREWNPAYWBOJ-CQSZACIVSA-N 0 3 237.343 1.670 20 30 BDEDHN C#CCNC(=O)CN(CC1CC1)C1CCC1 ZINC000796578159 586107595 /nfs/dbraw/zinc/10/75/95/586107595.db2.gz SKOPXRSWZKZGRA-UHFFFAOYSA-N 0 3 220.316 1.000 20 30 BDEDHN C#CCCCN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796611546 586108430 /nfs/dbraw/zinc/10/84/30/586108430.db2.gz JUXWPOUEPPIZBY-ZIAGYGMSSA-N 0 3 237.343 1.670 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000801933976 586278839 /nfs/dbraw/zinc/27/88/39/586278839.db2.gz XCZQRGWCZNEUKW-RYUDHWBXSA-N 0 3 248.330 1.518 20 30 BDEDHN COCC1=CCN(CCO[C@@H](C)C#N)CC1 ZINC000801943568 586281717 /nfs/dbraw/zinc/28/17/17/586281717.db2.gz ZGSVJNQAWWUFDM-NSHDSACASA-N 0 3 224.304 1.194 20 30 BDEDHN C[C@@H](C#N)OCCN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000801946021 586281864 /nfs/dbraw/zinc/28/18/64/586281864.db2.gz GAVJVZAVUOVCKS-USZNOCQGSA-N 0 3 226.320 1.149 20 30 BDEDHN C[C@@H](C#N)OCCN1CCc2cc[nH]c(=O)c2C1 ZINC000801950229 586282424 /nfs/dbraw/zinc/28/24/24/586282424.db2.gz LAUVUIBGRPRVJW-JTQLQIEISA-N 0 3 247.298 1.074 20 30 BDEDHN C#CC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000803808900 586375688 /nfs/dbraw/zinc/37/56/88/586375688.db2.gz GIGDIMCHDUAKRJ-CYBMUJFWSA-N 0 3 246.310 1.047 20 30 BDEDHN C=C(C)CN1CCC(NCc2cn(C)cn2)CC1 ZINC000808387809 586470639 /nfs/dbraw/zinc/47/06/39/586470639.db2.gz VCLVQLHYAZYKOM-UHFFFAOYSA-N 0 3 248.374 1.550 20 30 BDEDHN CC(C)(NC[C@H](O)CC#N)c1cccc(F)c1 ZINC000809578881 586508272 /nfs/dbraw/zinc/50/82/72/586508272.db2.gz SZJXRMYFJVKMSV-GFCCVEGCSA-N 0 3 236.290 1.925 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)CO)cc1 ZINC000809745169 586516777 /nfs/dbraw/zinc/51/67/77/586516777.db2.gz DUEQUTGSIZPUFE-VXGBXAGGSA-N 0 3 248.326 1.790 20 30 BDEDHN Cl/C=C/CON=C1CN2CCC1CC2 ZINC000811672146 586565612 /nfs/dbraw/zinc/56/56/12/586565612.db2.gz RNCJXIXXNIVPCM-GZXWPMSISA-N 0 3 214.696 1.837 20 30 BDEDHN C[C@@H](CNC(=O)CCCC#N)N1CCCCC1 ZINC000812478690 586577864 /nfs/dbraw/zinc/57/78/64/586577864.db2.gz RVDKAOGTUXBESF-LBPRGKRZSA-N 0 3 237.347 1.671 20 30 BDEDHN C#CCCN1CCC(NC(=O)CCCC#N)CC1 ZINC000812515999 586578280 /nfs/dbraw/zinc/57/82/80/586578280.db2.gz SHFBGVAYFWHYLD-UHFFFAOYSA-N 0 3 247.342 1.284 20 30 BDEDHN C#CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813099953 586591801 /nfs/dbraw/zinc/59/18/01/586591801.db2.gz IHCJYSAWSFHMCC-MRVPVSSYSA-N 0 3 213.233 1.244 20 30 BDEDHN C#CCCCCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000814143073 586614867 /nfs/dbraw/zinc/61/48/67/586614867.db2.gz LQCNKOJJAJLEKI-QWHCGFSZSA-N 0 3 234.343 1.343 20 30 BDEDHN CCCC(=NNC(=N)N)c1ccc(OC)cc1 ZINC000814796648 586634373 /nfs/dbraw/zinc/63/43/73/586634373.db2.gz JXYCFJKSQHGZSE-UHFFFAOYSA-N 0 3 234.303 1.682 20 30 BDEDHN CC(C)(C)[C@@H]1CC(N=NC(=N)N)CS1 ZINC000814796696 586634582 /nfs/dbraw/zinc/63/45/82/586634582.db2.gz LTZAIUAVTOBDMW-ZETCQYMHSA-N 0 3 214.338 1.377 20 30 BDEDHN CCCC(=NNC(=N)N)c1ccccn1 ZINC000814796870 586635128 /nfs/dbraw/zinc/63/51/28/586635128.db2.gz UIAZCMPHJNUZQG-UHFFFAOYSA-N 0 3 205.265 1.069 20 30 BDEDHN C[C@@H]1CNC(NN=C2CC(c3ccccc3)C2)=N1 ZINC000814898982 586645565 /nfs/dbraw/zinc/64/55/65/586645565.db2.gz XQMSXMOMFQJZMD-RWANSRKNSA-N 0 3 242.326 1.857 20 30 BDEDHN CC(=NNCCO)c1cccc(CN(C)C)c1 ZINC000814942546 586656335 /nfs/dbraw/zinc/65/63/35/586656335.db2.gz IHAKUWRGKWOBFC-UHFFFAOYSA-N 0 3 235.331 1.054 20 30 BDEDHN Cn1cc(C(C)(C)NCCOCCC#N)cn1 ZINC000815090041 586665907 /nfs/dbraw/zinc/66/59/07/586665907.db2.gz IFWCOFLIUJRKRP-UHFFFAOYSA-N 0 3 236.319 1.175 20 30 BDEDHN N#CCCOCCN1CC[C@@H](c2ccccn2)C1 ZINC000815107269 586667108 /nfs/dbraw/zinc/66/71/08/586667108.db2.gz IKHAWMOFXNIBES-CYBMUJFWSA-N 0 3 245.326 1.801 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC2(CC1)OCCCO2 ZINC000815154169 586670336 /nfs/dbraw/zinc/67/03/36/586670336.db2.gz CRBXNNNTCBHFLW-GFCCVEGCSA-N 0 3 241.331 1.152 20 30 BDEDHN C#C[C@H](C)NCc1ccc2c(c1)oc(=O)n2C ZINC000816607097 586743960 /nfs/dbraw/zinc/74/39/60/586743960.db2.gz FNNPIIGZEAPBGY-VIFPVBQESA-N 0 3 230.267 1.243 20 30 BDEDHN C#CCOCCN1CCC(F)(F)C[C@@H]1C ZINC000859842412 589065462 /nfs/dbraw/zinc/06/54/62/589065462.db2.gz LNRXBLGJHNCNES-JTQLQIEISA-N 0 3 217.259 1.756 20 30 BDEDHN C=C(Cl)CNC(=O)N(C)C[C@H]1CCCN1C ZINC000817159032 586784396 /nfs/dbraw/zinc/78/43/96/586784396.db2.gz IDYAGZRATDCEOC-SNVBAGLBSA-N 0 3 245.754 1.475 20 30 BDEDHN CN(C[C@H](C#N)CCC#N)C[C@H]1CCCN1C ZINC000817291903 586793075 /nfs/dbraw/zinc/79/30/75/586793075.db2.gz REYPXFUCBIXLRE-QWHCGFSZSA-N 0 3 234.347 1.456 20 30 BDEDHN CN(C)c1ccc(C=NN[C@@H]2CCC[C@H]2O)cc1 ZINC000817330821 586795818 /nfs/dbraw/zinc/79/58/18/586795818.db2.gz SABQKFURZQIAAJ-ZIAGYGMSSA-N 0 3 247.342 1.590 20 30 BDEDHN C#CCCCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859887327 589068829 /nfs/dbraw/zinc/06/88/29/589068829.db2.gz BDUQENYZKTXDTC-GFCCVEGCSA-N 0 3 231.299 1.733 20 30 BDEDHN C#Cc1cccc(CNC[C@@H](O)CCOCC)c1 ZINC000819357605 586956634 /nfs/dbraw/zinc/95/66/34/586956634.db2.gz SVXFYSWWUNDYMV-HNNXBMFYSA-N 0 3 247.338 1.545 20 30 BDEDHN C=C[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000819729821 586990010 /nfs/dbraw/zinc/99/00/10/586990010.db2.gz NEZIPZMRENQVRY-ZETCQYMHSA-N 0 3 235.316 1.592 20 30 BDEDHN C=C(Cl)CNC(=O)CN(C)CC(C)(C)C ZINC000820111709 587023093 /nfs/dbraw/zinc/02/30/93/587023093.db2.gz TYGFJPYXNXPJPK-UHFFFAOYSA-N 0 3 232.755 1.833 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000820401078 587046398 /nfs/dbraw/zinc/04/63/98/587046398.db2.gz VSQDXUPXHMIJGG-NEPJUHHUSA-N 0 3 237.347 1.132 20 30 BDEDHN C#C[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000820422267 587047482 /nfs/dbraw/zinc/04/74/82/587047482.db2.gz FYVSUZIKEPVTQB-GFCCVEGCSA-N 0 3 249.358 1.278 20 30 BDEDHN C=C(C)C(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000821166941 587099992 /nfs/dbraw/zinc/09/99/92/587099992.db2.gz KSZSGIRZJPOATQ-QMMMGPOBSA-N 0 3 215.249 1.797 20 30 BDEDHN C#C[C@H](NC[C@@H](OC)C1CC1)[C@H]1CCCO1 ZINC000822870309 587190368 /nfs/dbraw/zinc/19/03/68/587190368.db2.gz SOTPGKMFAMEJBU-YNEHKIRRSA-N 0 3 223.316 1.182 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000824861089 587290649 /nfs/dbraw/zinc/29/06/49/587290649.db2.gz HHLZXRAYTPNSSN-OCCSQVGLSA-N 0 3 249.310 1.834 20 30 BDEDHN COC(=O)C1(C#N)CCN(CC(C)C)CC1 ZINC000824866681 587290928 /nfs/dbraw/zinc/29/09/28/587290928.db2.gz GQIIFAIPCZESSN-UHFFFAOYSA-N 0 3 224.304 1.421 20 30 BDEDHN C#Cc1ccc(CNC(COC)COC)cc1 ZINC000824921801 587293373 /nfs/dbraw/zinc/29/33/73/587293373.db2.gz SLHSQBYWMFLAJH-UHFFFAOYSA-N 0 3 233.311 1.419 20 30 BDEDHN C#Cc1cccc(CN[C@H]2CCCOC2)c1 ZINC000825227722 587310571 /nfs/dbraw/zinc/31/05/71/587310571.db2.gz ZBRQXKRDZOCTNJ-AWEZNQCLSA-N 0 3 215.296 1.937 20 30 BDEDHN CC(C)C#CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000825596888 587326612 /nfs/dbraw/zinc/32/66/12/587326612.db2.gz FCNHBTNDKMFMBI-LBPRGKRZSA-N 0 3 222.332 1.198 20 30 BDEDHN C#CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000825827361 587340610 /nfs/dbraw/zinc/34/06/10/587340610.db2.gz QRRAPZBMBFSGHI-CQSZACIVSA-N 0 3 248.370 1.923 20 30 BDEDHN C#C[C@H](NCc1cnn2c1CCC2)C(C)C ZINC000825878603 587343451 /nfs/dbraw/zinc/34/34/51/587343451.db2.gz SLQRZUJOSPALEU-LBPRGKRZSA-N 0 3 217.316 1.577 20 30 BDEDHN CN1CCC[C@@H]1CNC(=O)C#Cc1cccs1 ZINC000825891686 587344486 /nfs/dbraw/zinc/34/44/86/587344486.db2.gz OSGIXZQKZGATBH-LLVKDONJSA-N 0 3 248.351 1.310 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC)CC(C)(C)O ZINC000826787101 587362666 /nfs/dbraw/zinc/36/26/66/587362666.db2.gz ILMSULWJNDPOOK-UHFFFAOYSA-N 0 3 242.363 1.114 20 30 BDEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000826950843 587366697 /nfs/dbraw/zinc/36/66/97/587366697.db2.gz YCONTQRSZMHDDL-CHWSQXEVSA-N 0 3 236.359 1.895 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC000827056076 587369423 /nfs/dbraw/zinc/36/94/23/587369423.db2.gz HCTXPVRZDHFFJZ-ZIAGYGMSSA-N 0 3 248.370 1.731 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000828593073 587452571 /nfs/dbraw/zinc/45/25/71/587452571.db2.gz ZBISNVATZKPLGO-OLZOCXBDSA-N 0 3 236.359 1.444 20 30 BDEDHN CC(C#N)C(=O)NCc1noc2cc(F)ccc12 ZINC000828773989 587461439 /nfs/dbraw/zinc/46/14/39/587461439.db2.gz NCPBVVVGDPTUQY-ZETCQYMHSA-N 0 3 247.229 1.743 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000828858120 587466873 /nfs/dbraw/zinc/46/68/73/587466873.db2.gz PIVQPUIGGIXQIP-TZMCWYRMSA-N 0 3 248.370 1.921 20 30 BDEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC000829774250 587515030 /nfs/dbraw/zinc/51/50/30/587515030.db2.gz 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DQOBJWJXLPLWKM-NSHDSACASA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCCCN1CCN(c2cccc(F)n2)CC1 ZINC000831486455 587613137 /nfs/dbraw/zinc/61/31/37/587613137.db2.gz TVRSJQVQFVUFRE-UHFFFAOYSA-N 0 3 247.317 1.756 20 30 BDEDHN C=CCCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000831594009 587621902 /nfs/dbraw/zinc/62/19/02/587621902.db2.gz QQZMIMWFVFHKAG-GFCCVEGCSA-N 0 3 224.348 1.799 20 30 BDEDHN COc1cccc(C(=O)CNC(=O)C(C)C#N)c1 ZINC000831658213 587626588 /nfs/dbraw/zinc/62/65/88/587626588.db2.gz UFTLFYQAWYOOIE-SECBINFHSA-N 0 3 246.266 1.154 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NC/C=C(/C)C(=O)OC ZINC000831679461 587627351 /nfs/dbraw/zinc/62/73/51/587627351.db2.gz XSEFZDDFFHZEJJ-NVIAFKCQSA-N 0 3 225.288 1.039 20 30 BDEDHN C#CCCCN[C@H](C)c1nccn1CC ZINC000834606818 587760661 /nfs/dbraw/zinc/76/06/61/587760661.db2.gz MOGOBPVJJJTJHM-LLVKDONJSA-N 0 3 205.305 1.967 20 30 BDEDHN C[C@H](O)CNN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834982842 587776036 /nfs/dbraw/zinc/77/60/36/587776036.db2.gz MBVMLMFLSBKQBG-GRBJPJAISA-N 0 3 247.342 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C#C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847447697 588313681 /nfs/dbraw/zinc/31/36/81/588313681.db2.gz SAFLIICEELCXEA-RWMBFGLXSA-N 0 3 249.358 1.324 20 30 BDEDHN C#CCCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000847865854 588339384 /nfs/dbraw/zinc/33/93/84/588339384.db2.gz FZSAIQQSVLWHTM-MNOVXSKESA-N 0 3 237.299 1.200 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC000848287944 588370904 /nfs/dbraw/zinc/37/09/04/588370904.db2.gz XDJWAAKOXGZUSS-UONOGXRCSA-N 0 3 248.370 1.733 20 30 BDEDHN COCCCN=NC1CCCN2CCCC[C@H]12 ZINC000848410550 588379999 /nfs/dbraw/zinc/37/99/99/588379999.db2.gz MFKXRGVMJMBZIL-CYBMUJFWSA-N 0 3 239.363 1.617 20 30 BDEDHN COCCCN=NC1CCCN2CCCC[C@@H]12 ZINC000848410553 588380066 /nfs/dbraw/zinc/38/00/66/588380066.db2.gz MFKXRGVMJMBZIL-ZDUSSCGKSA-N 0 3 239.363 1.617 20 30 BDEDHN C#CCSCCN[C@@H](C)c1cncnc1C ZINC000848533821 588393621 /nfs/dbraw/zinc/39/36/21/588393621.db2.gz NQTBINVQPBVXPZ-JTQLQIEISA-N 0 3 235.356 1.802 20 30 BDEDHN CCCCCCOCC(=O)C(C#N)C(=O)NC 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/nfs/dbraw/zinc/81/40/52/369814052.db2.gz HEGXFCZTXJFFAF-NWDGAFQWSA-N 0 3 245.326 1.858 20 30 BDEDHN C[C@@H]1C[C@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602579369 369816307 /nfs/dbraw/zinc/81/63/07/369816307.db2.gz ADTRTQHLCUIPQS-VXGBXAGGSA-N 0 3 245.326 1.858 20 30 BDEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H]1CCCOC1 ZINC000602601756 369825721 /nfs/dbraw/zinc/82/57/21/369825721.db2.gz AZHXPXGNTUXZGF-NEPJUHHUSA-N 0 3 245.326 1.858 20 30 BDEDHN N#Cc1cccc(CNCC[C@H]2CCOC2)n1 ZINC000602608563 369825756 /nfs/dbraw/zinc/82/57/56/369825756.db2.gz OBWDJBCZXIHEGN-NSHDSACASA-N 0 3 231.299 1.469 20 30 BDEDHN C/C=C/C[C@@H](CO)NCc1cccc(C#N)n1 ZINC000602617345 369828755 /nfs/dbraw/zinc/82/87/55/369828755.db2.gz CYCLCPLSINGCLV-IBUXWKBASA-N 0 3 231.299 1.370 20 30 BDEDHN C[C@H]1CN(Cc2cccc(C#N)n2)[C@@H](C)CN1C ZINC000602616392 369829047 /nfs/dbraw/zinc/82/90/47/369829047.db2.gz NVEXENBXVYWGAF-RYUDHWBXSA-N 0 3 244.342 1.478 20 30 BDEDHN CO[C@@H](C)[C@H](C)NCc1cccc(C#N)n1 ZINC000602629941 369829843 /nfs/dbraw/zinc/82/98/43/369829843.db2.gz MYEDCFVRZQGGAU-UWVGGRQHSA-N 0 3 219.288 1.466 20 30 BDEDHN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2O)n1 ZINC000602625542 369830582 /nfs/dbraw/zinc/83/05/82/369830582.db2.gz RTXDGUVLHMLAGT-STQMWFEESA-N 0 3 231.299 1.346 20 30 BDEDHN C[C@H]1CC[C@H]1NCc1cccc(C#N)n1 ZINC000602657593 369835534 /nfs/dbraw/zinc/83/55/34/369835534.db2.gz ZQVAIXDUZWPCMF-JOYOIKCWSA-N 0 3 201.273 1.841 20 30 BDEDHN CC[C@@H](C)N(CCO)Cc1cccc(C#N)n1 ZINC000602679547 369838263 /nfs/dbraw/zinc/83/82/63/369838263.db2.gz GWIFOVOHTWXUDJ-LLVKDONJSA-N 0 3 233.315 1.546 20 30 BDEDHN C[C@@H]1CCC[C@@]1(O)CNCc1cccc(C#N)n1 ZINC000602674796 369838558 /nfs/dbraw/zinc/83/85/58/369838558.db2.gz DCWKPXIKSQOOFB-BXUZGUMPSA-N 0 3 245.326 1.594 20 30 BDEDHN CN(Cc1cccc(C#N)n1)C[C@H]1CCCN1C ZINC000602696110 369843261 /nfs/dbraw/zinc/84/32/61/369843261.db2.gz DBKPPWIYEQMSLH-CQSZACIVSA-N 0 3 244.342 1.479 20 30 BDEDHN CN(Cc1cccc(F)c1C#N)CC1CN(C)C1 ZINC000602710304 369847803 /nfs/dbraw/zinc/84/78/03/369847803.db2.gz RPLPVXZCMDTGHL-UHFFFAOYSA-N 0 3 247.317 1.691 20 30 BDEDHN C[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CS1 ZINC000602690460 369843133 /nfs/dbraw/zinc/84/31/33/369843133.db2.gz NDAAUHAHVBSNRO-BXKDBHETSA-N 0 3 233.340 1.937 20 30 BDEDHN C=CCCOCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621152435 370125507 /nfs/dbraw/zinc/12/55/07/370125507.db2.gz WVNDSFLRMVNYMH-LBPRGKRZSA-N 0 3 240.347 1.036 20 30 BDEDHN Cc1cc(CCN[C@@H]2CC[C@@H](C#N)C2)on1 ZINC000309910136 370275162 /nfs/dbraw/zinc/27/51/62/370275162.db2.gz MDYOVTYUMPONNX-GHMZBOCLSA-N 0 3 219.288 1.807 20 30 BDEDHN CC1(C)CC[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000568408217 326355281 /nfs/dbraw/zinc/35/52/81/326355281.db2.gz HJVBKYIPBMFCSS-SNVBAGLBSA-N 0 3 235.331 1.327 20 30 BDEDHN CN(C[C@H]1CCCN1C)c1ncccc1C#N ZINC000092631053 371106288 /nfs/dbraw/zinc/10/62/88/371106288.db2.gz YDQLVEZUGFYICV-GFCCVEGCSA-N 0 3 230.315 1.484 20 30 BDEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC000093334565 371156888 /nfs/dbraw/zinc/15/68/88/371156888.db2.gz OZOMFFMAQHTGMC-FZMZJTMJSA-N 0 3 230.311 1.761 20 30 BDEDHN CCN(Cc1ccc(C#N)o1)CC(C)(C)O ZINC000093436969 371170225 /nfs/dbraw/zinc/17/02/25/371170225.db2.gz ZMPUZTPJDHFLJV-UHFFFAOYSA-N 0 3 222.288 1.744 20 30 BDEDHN C[C@H](CC#N)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000390294798 371194007 /nfs/dbraw/zinc/19/40/07/371194007.db2.gz AGAIDWUMTFHXDR-JHJVBQTASA-N 0 3 223.364 1.856 20 30 BDEDHN N#Cc1csc(CN[C@H]2CCN(C3CC3)C2)c1 ZINC000093492622 371175669 /nfs/dbraw/zinc/17/56/69/371175669.db2.gz GBYJMLSZKHEIBM-NSHDSACASA-N 0 3 247.367 1.946 20 30 BDEDHN C=CC[C@@H](C)[C@H](C)NCc1cnnn1CC ZINC000624026583 371258665 /nfs/dbraw/zinc/25/86/65/371258665.db2.gz GEAUKTRJOQHURF-MNOVXSKESA-N 0 3 222.336 1.988 20 30 BDEDHN CC(C)(CO)CNCc1ccc(C#N)cc1F ZINC000125113311 371287231 /nfs/dbraw/zinc/28/72/31/371287231.db2.gz AKEHNTGHSKWUMX-UHFFFAOYSA-N 0 3 236.290 1.805 20 30 BDEDHN C[C@@H]1CCN[C@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000125995945 371470629 /nfs/dbraw/zinc/47/06/29/371470629.db2.gz AGZNJEBPZZKYSI-MFKMUULPSA-N 0 3 243.310 1.885 20 30 BDEDHN CC[C@@H](C#N)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217943017 372032286 /nfs/dbraw/zinc/03/22/86/372032286.db2.gz NXXHEQOOYDSGLX-ZJUUUORDSA-N 0 3 223.320 1.135 20 30 BDEDHN CC(C#N)C(=O)NC1(C(F)(F)F)CC1 ZINC000229719180 372184927 /nfs/dbraw/zinc/18/49/27/372184927.db2.gz OPXWNFGQPXYWLV-YFKPBYRVSA-N 0 3 206.167 1.357 20 30 BDEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CC)C2)C1 ZINC000633439199 373550112 /nfs/dbraw/zinc/55/01/12/373550112.db2.gz QJQWQWWVXXPKQP-NSHDSACASA-N 0 3 222.332 1.553 20 30 BDEDHN CC1(NC(=O)[C@@H](N)CCCC#N)CCCC1 ZINC000424093906 206030384 /nfs/dbraw/zinc/03/03/84/206030384.db2.gz SKZDUXSAOWVJGO-JTQLQIEISA-N 0 3 223.320 1.456 20 30 BDEDHN C=CCCN[C@@](C)(CO)c1cccc(O)c1 ZINC000451028128 206105955 /nfs/dbraw/zinc/10/59/55/206105955.db2.gz CJKDQTNZPVEWFA-ZDUSSCGKSA-N 0 3 221.300 1.765 20 30 BDEDHN CCC[C@@H](C(=O)N[C@H](C)CC#N)N(C)C ZINC000179720701 134320217 /nfs/dbraw/zinc/32/02/17/134320217.db2.gz WVUWJOWPQLVIAA-ZJUUUORDSA-N 0 3 211.309 1.135 20 30 BDEDHN COc1ccccc1CCNC(=O)C(C)C#N ZINC000226933954 134370840 /nfs/dbraw/zinc/37/08/40/134370840.db2.gz CCKMUBFGDOBKIJ-JTQLQIEISA-N 0 3 232.283 1.514 20 30 BDEDHN C#CCC(CC#C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000298534558 383917869 /nfs/dbraw/zinc/91/78/69/383917869.db2.gz WUZKLIYCWLPFPB-CQSZACIVSA-N 0 3 246.354 1.202 20 30 BDEDHN N#Cc1ncn(CCNCc2ccsc2)n1 ZINC000285562593 383987395 /nfs/dbraw/zinc/98/73/95/383987395.db2.gz RQIANHGJZXVCIT-UHFFFAOYSA-N 0 3 233.300 1.001 20 30 BDEDHN C#CC[C@@H](NCCC(=O)OC)c1ccccc1 ZINC000298759897 383988267 /nfs/dbraw/zinc/98/82/67/383988267.db2.gz CPVPKMMPUKKECS-CYBMUJFWSA-N 0 3 231.295 1.904 20 30 BDEDHN C=CCCCCN1CCN(CC(C)(C)O)CC1 ZINC000560186402 383958311 /nfs/dbraw/zinc/95/83/11/383958311.db2.gz LLPSFYJPEIVMDC-UHFFFAOYSA-N 0 3 240.391 1.731 20 30 BDEDHN C[C@@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000530442466 384017536 /nfs/dbraw/zinc/01/75/36/384017536.db2.gz MCFKBIOLCUOTSN-LBPRGKRZSA-N 0 3 236.340 1.967 20 30 BDEDHN C[C@H]1CCN(CCNCc2ccc(C#N)o2)C1 ZINC000540803214 384020321 /nfs/dbraw/zinc/02/03/21/384020321.db2.gz ONNBTUNBPNXXCY-NSHDSACASA-N 0 3 233.315 1.583 20 30 BDEDHN COc1cc(CN(C)[C@H](C)CO)ccc1C#N ZINC000234804776 384045063 /nfs/dbraw/zinc/04/50/63/384045063.db2.gz QEVWKNFFHADONB-SNVBAGLBSA-N 0 3 234.299 1.379 20 30 BDEDHN C=CCN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000648131636 384103754 /nfs/dbraw/zinc/10/37/54/384103754.db2.gz FUTDNFAZTPKROK-UHFFFAOYSA-N 0 3 230.311 1.127 20 30 BDEDHN COC(=O)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000407989094 384125611 /nfs/dbraw/zinc/12/56/11/384125611.db2.gz HZWODTXGOXUORK-MXWKQRLJSA-N 0 3 222.288 1.174 20 30 BDEDHN Cc1csc([C@@H](C)NC(=O)C(C)C#N)n1 ZINC000080275802 384163470 /nfs/dbraw/zinc/16/34/70/384163470.db2.gz ICOYQIIEXZBANR-POYBYMJQSA-N 0 3 223.301 1.788 20 30 BDEDHN C#CCCN1CCC[C@@H]1c1cnn(C)c1C ZINC000371377087 533050132 /nfs/dbraw/zinc/05/01/32/533050132.db2.gz ABKMATGEBYIMGR-CYBMUJFWSA-N 0 3 217.316 1.889 20 30 BDEDHN C#CCCN1CCC(c2cnccn2)CC1 ZINC000375728284 533047998 /nfs/dbraw/zinc/04/79/98/533047998.db2.gz ZSWUTPQJODBROA-UHFFFAOYSA-N 0 3 215.300 1.679 20 30 BDEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1 ZINC000082286199 384223570 /nfs/dbraw/zinc/22/35/70/384223570.db2.gz IHYVUIGXWOGPGH-NSHDSACASA-N 0 3 217.272 1.646 20 30 BDEDHN CC(C)[C@@H](CO)CNCc1ccc(C#N)s1 ZINC000336647924 384245742 /nfs/dbraw/zinc/24/57/42/384245742.db2.gz CHSRAAKXTSWDHL-SNVBAGLBSA-N 0 3 238.356 1.974 20 30 BDEDHN C#CCN1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000066473770 384253761 /nfs/dbraw/zinc/25/37/61/384253761.db2.gz VAJQMIOEDBRKJO-STQMWFEESA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304620771 533050885 /nfs/dbraw/zinc/05/08/85/533050885.db2.gz TWVIEEZXYFNMQF-JTQLQIEISA-N 0 3 235.249 1.789 20 30 BDEDHN CO[C@@H](C)[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000336750251 384265475 /nfs/dbraw/zinc/26/54/75/384265475.db2.gz ZJTRBJARRMLMBW-ZJUUUORDSA-N 0 3 221.304 1.410 20 30 BDEDHN CC(C#N)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 ZINC000566355131 384279899 /nfs/dbraw/zinc/27/98/99/384279899.db2.gz XOOVAGLBRCOISV-ONGXEEELSA-N 0 3 246.314 1.489 20 30 BDEDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc(C#N)n(C)c1 ZINC000331112754 384290940 /nfs/dbraw/zinc/29/09/40/384290940.db2.gz UFBHOOXFAFKDNP-RISCZKNCSA-N 0 3 249.358 1.783 20 30 BDEDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000135709666 384296301 /nfs/dbraw/zinc/29/63/01/384296301.db2.gz ZICUGFMVANEXDN-NXEZZACHSA-N 0 3 231.299 1.473 20 30 BDEDHN C=C(CC)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000517514624 384335256 /nfs/dbraw/zinc/33/52/56/384335256.db2.gz SCWDCXKQFSULKO-GFCCVEGCSA-N 0 3 239.363 1.594 20 30 BDEDHN C#CCCN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369389740 533056063 /nfs/dbraw/zinc/05/60/63/533056063.db2.gz SBRUHHDMOLSOFN-XQQFMLRXSA-N 0 3 223.316 1.278 20 30 BDEDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(CC#N)cc2)C1 ZINC000335587901 384352884 /nfs/dbraw/zinc/35/28/84/384352884.db2.gz AEPITFKEEDOKTO-DOMZBBRYSA-N 0 3 244.338 1.955 20 30 BDEDHN C[C@@H]1CN(c2cccc(C#N)n2)C[C@H](C)N1C ZINC000135264336 384362900 /nfs/dbraw/zinc/36/29/00/384362900.db2.gz PVLDUMPERVOFAB-PHIMTYICSA-N 0 3 230.315 1.482 20 30 BDEDHN CCC(CC)N(CC(=O)NCC#N)C1CC1 ZINC000521331250 384334904 /nfs/dbraw/zinc/33/49/04/384334904.db2.gz XMETVLUIAXHGOM-UHFFFAOYSA-N 0 3 223.320 1.279 20 30 BDEDHN CCOC[C@H]1CCCCN1CCOCCC#N ZINC000313462735 384403231 /nfs/dbraw/zinc/40/32/31/384403231.db2.gz RFIZCWJKCFAKQV-CYBMUJFWSA-N 0 3 240.347 1.808 20 30 BDEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](C)CN(C)C ZINC000286897589 384418702 /nfs/dbraw/zinc/41/87/02/384418702.db2.gz GRZBHWHBQSWULE-QMMMGPOBSA-N 0 3 235.287 1.140 20 30 BDEDHN C=CCCC(=O)NCCN1CCCC[C@@H]1C ZINC000102332156 384418694 /nfs/dbraw/zinc/41/86/94/384418694.db2.gz RSFNGGJUPWICHV-LBPRGKRZSA-N 0 3 224.348 1.943 20 30 BDEDHN CCOC[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000313478917 384418947 /nfs/dbraw/zinc/41/89/47/384418947.db2.gz CYYKTCSGZWIORN-QWRGUYRKSA-N 0 3 224.304 1.564 20 30 BDEDHN C[C@@H]1[C@@H](C)N(Cc2cc(C#N)n(C)c2)CCN1C ZINC000335787756 384378061 /nfs/dbraw/zinc/37/80/61/384378061.db2.gz AHOSIKJFYSCFHS-VXGBXAGGSA-N 0 3 246.358 1.421 20 30 BDEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)N ZINC000159677618 384451742 /nfs/dbraw/zinc/45/17/42/384451742.db2.gz RFHNHYCLPVKKRN-SNVBAGLBSA-N 0 3 234.299 1.215 20 30 BDEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CN ZINC000037498082 384505456 /nfs/dbraw/zinc/50/54/56/384505456.db2.gz JDSIMCZIWQEOHC-UHFFFAOYSA-N 0 3 244.747 1.875 20 30 BDEDHN C=CCCCCCN(C)CC(=O)NCC=C ZINC000150899490 384512177 /nfs/dbraw/zinc/51/21/77/384512177.db2.gz BKEDHMSEDLWUQC-UHFFFAOYSA-N 0 3 224.348 1.967 20 30 BDEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000334760836 384534331 /nfs/dbraw/zinc/53/43/31/384534331.db2.gz PGRFTZWSQHXAGX-ZJUUUORDSA-N 0 3 217.272 1.761 20 30 BDEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCC[C@H]1O ZINC000289897912 384514555 /nfs/dbraw/zinc/51/45/55/384514555.db2.gz WSDRYXMBFQATMD-CHWSQXEVSA-N 0 3 233.315 1.242 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(C#N)cc1 ZINC000287099701 384548909 /nfs/dbraw/zinc/54/89/09/384548909.db2.gz WRXVSXMLURTIFG-JTQLQIEISA-N 0 3 246.314 1.630 20 30 BDEDHN C=CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000151130824 384541699 /nfs/dbraw/zinc/54/16/99/384541699.db2.gz GAOAHHQEMSYXNJ-ZDUSSCGKSA-N 0 3 238.375 1.997 20 30 BDEDHN CC1CC(C#N)(C(=O)NCC2(N(C)C)CCC2)C1 ZINC000097932531 384568221 /nfs/dbraw/zinc/56/82/21/384568221.db2.gz OBIPNZIRVKETJY-UHFFFAOYSA-N 0 3 249.358 1.527 20 30 BDEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H](N)CCC ZINC000236794157 384577093 /nfs/dbraw/zinc/57/70/93/384577093.db2.gz ROYOHXZALRAXEW-QMMMGPOBSA-N 0 3 238.253 1.691 20 30 BDEDHN Cc1nnc(NC[C@@H](C)N(C)C)c(C#N)c1C ZINC000044317454 384590843 /nfs/dbraw/zinc/59/08/43/384590843.db2.gz QEEAOXNLHDFLEE-MRVPVSSYSA-N 0 3 233.319 1.327 20 30 BDEDHN CC[C@](C)(C#N)C(=O)NCCN1CC[C@H](C)C1 ZINC000556890988 384613655 /nfs/dbraw/zinc/61/36/55/384613655.db2.gz WCJYSSZBDROXSJ-WCQYABFASA-N 0 3 237.347 1.384 20 30 BDEDHN C=CCN1CC[C@H](N[C@H]2CSC[C@H]2C)C1=O ZINC000309794736 384615036 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BDEDHN C=CC[C@@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000157111847 385070981 /nfs/dbraw/zinc/07/09/81/385070981.db2.gz XUVYGIALLXXRKT-DGCLKSJQSA-N 0 3 232.327 1.810 20 30 BDEDHN Cc1ccnc(NC[C@H](C)N(C)C)c1C#N ZINC000135073319 385032619 /nfs/dbraw/zinc/03/26/19/385032619.db2.gz BPULZKBIUDISIO-JTQLQIEISA-N 0 3 218.304 1.624 20 30 BDEDHN C[C@@H]1CN(CC#N)CCN(Cc2ccccc2)C1 ZINC000306500510 385036033 /nfs/dbraw/zinc/03/60/33/385036033.db2.gz NSBRWHIQYVPMQH-CQSZACIVSA-N 0 3 243.354 1.964 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000491523644 385097092 /nfs/dbraw/zinc/09/70/92/385097092.db2.gz GFJTUZDQVLWMKM-NQBHXWOUSA-N 0 3 249.358 1.180 20 30 BDEDHN CCN(CCNC(=O)C(C)(C)C#N)C1CC1 ZINC000227552812 385157617 /nfs/dbraw/zinc/15/76/17/385157617.db2.gz FDCCLFAEFZUNRA-UHFFFAOYSA-N 0 3 223.320 1.137 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000491253470 385246487 /nfs/dbraw/zinc/24/64/87/385246487.db2.gz NZFAFHQIHGZUEF-RWMBFGLXSA-N 0 3 249.358 1.134 20 30 BDEDHN 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3 239.363 1.736 20 30 BDEDHN COc1nccc(CNCC(C)(C)CCC#N)n1 ZINC000449332283 388174206 /nfs/dbraw/zinc/17/42/06/388174206.db2.gz QTAQENICDKCPFB-UHFFFAOYSA-N 0 3 248.330 1.905 20 30 BDEDHN C=C(C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000456125787 388180153 /nfs/dbraw/zinc/18/01/53/388180153.db2.gz WCKFIUSASMDOJP-TXEJJXNPSA-N 0 3 224.348 1.942 20 30 BDEDHN C=C(CC)CNC(=O)NCCN(CC)C1CC1 ZINC000454460593 388118837 /nfs/dbraw/zinc/11/88/37/388118837.db2.gz FQNKFBASNLSKQS-UHFFFAOYSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(CC)CNC(=O)N[C@H]1CCCN(CC)C1 ZINC000454636637 388126414 /nfs/dbraw/zinc/12/64/14/388126414.db2.gz GDLRKCTYEKHWIX-LBPRGKRZSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(C)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000454650106 388127665 /nfs/dbraw/zinc/12/76/65/388127665.db2.gz UAAQEZPJNKYFSR-NSHDSACASA-N 0 3 237.347 1.489 20 30 BDEDHN C=C(C)CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000454779899 388134030 /nfs/dbraw/zinc/13/40/30/388134030.db2.gz ISNRYMJOEOZARG-RYUDHWBXSA-N 0 3 239.363 1.735 20 30 BDEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454816730 388134726 /nfs/dbraw/zinc/13/47/26/388134726.db2.gz TYPONMLDJIKYEY-NEPJUHHUSA-N 0 3 241.379 1.981 20 30 BDEDHN CC(C#N)C(=O)N(C)[C@@H](CO)CC(C)(C)C ZINC000456430312 388200801 /nfs/dbraw/zinc/20/08/01/388200801.db2.gz CZUISCPGDULIAU-NXEZZACHSA-N 0 3 226.320 1.402 20 30 BDEDHN C=CCn1cccc1C(=O)NCCN(C)C1CC1 ZINC000489082270 388203373 /nfs/dbraw/zinc/20/33/73/388203373.db2.gz WGNVLVPUOLMQBH-UHFFFAOYSA-N 0 3 247.342 1.498 20 30 BDEDHN C=CCN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489216471 388206148 /nfs/dbraw/zinc/20/61/48/388206148.db2.gz KNGNVMPLCMNMSV-SNVBAGLBSA-N 0 3 223.320 1.051 20 30 BDEDHN C=C[C@H]1CCCCN1C[C@@H](O)COC(C)C ZINC000489492128 388218950 /nfs/dbraw/zinc/21/89/50/388218950.db2.gz YQKJRCIYPASIMI-QWHCGFSZSA-N 0 3 227.348 1.813 20 30 BDEDHN C=CCC[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC000456785117 388221561 /nfs/dbraw/zinc/22/15/61/388221561.db2.gz YAWIFCWAXXWMSU-NEPJUHHUSA-N 0 3 242.363 1.016 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1 ZINC000449521118 388223428 /nfs/dbraw/zinc/22/34/28/388223428.db2.gz QVIVZMCYNHFBAF-KGLIPLIRSA-N 0 3 228.295 1.991 20 30 BDEDHN COCC(COC)N[C@H]1CCC[C@H](C#N)C1 ZINC000449543255 388228257 /nfs/dbraw/zinc/22/82/57/388228257.db2.gz OCBLABLRPYZVQI-QWRGUYRKSA-N 0 3 226.320 1.320 20 30 BDEDHN CC(C#N)C(=O)NCC(C)(C)C1(O)CCCC1 ZINC000456864545 388228707 /nfs/dbraw/zinc/22/87/07/388228707.db2.gz VSQZVKUHFNRBGK-SNVBAGLBSA-N 0 3 238.331 1.594 20 30 BDEDHN CO[C@@H]1CN(CC(C)(C)CCC#N)C[C@H]1O ZINC000449570068 388236053 /nfs/dbraw/zinc/23/60/53/388236053.db2.gz GBQCLXUSXRUOSA-GHMZBOCLSA-N 0 3 226.320 1.008 20 30 BDEDHN N#CCCCCNCc1ccc(C#N)o1 ZINC000164496683 388239322 /nfs/dbraw/zinc/23/93/22/388239322.db2.gz WWQABMGZUXXERK-UHFFFAOYSA-N 0 3 203.245 1.935 20 30 BDEDHN C#CCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000490629040 388243636 /nfs/dbraw/zinc/24/36/36/388243636.db2.gz KBHXGKUBTTXROZ-TXEJJXNPSA-N 0 3 237.347 1.182 20 30 BDEDHN COCC[C@H](C)CNC[C@H](C#N)CCC#N ZINC000518519011 256578504 /nfs/dbraw/zinc/57/85/04/256578504.db2.gz KKGQOPGXXOOBLH-RYUDHWBXSA-N 0 3 223.320 1.692 20 30 BDEDHN C#C[C@@H](C)N(C)CCC(=O)N(C)c1ccccc1 ZINC000491288611 388283004 /nfs/dbraw/zinc/28/30/04/388283004.db2.gz SVSSRYBHBSJBHH-CYBMUJFWSA-N 0 3 244.338 1.993 20 30 BDEDHN C#C[C@@H](NC(=O)C1CCN(C)CC1)C(C)(C)C ZINC000491362474 388288786 /nfs/dbraw/zinc/28/87/86/388288786.db2.gz SDGFINZBNWDMOI-GFCCVEGCSA-N 0 3 236.359 1.492 20 30 BDEDHN C#CCN(C[C@H]1COCCO1)C1CCCCC1 ZINC000491396725 388291850 /nfs/dbraw/zinc/29/18/50/388291850.db2.gz ZLPKGGJIYDHAGM-AWEZNQCLSA-N 0 3 237.343 1.670 20 30 BDEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H]1CC ZINC000491425679 388293875 /nfs/dbraw/zinc/29/38/75/388293875.db2.gz BOKYRIPIJNUNCC-LBPRGKRZSA-N 0 3 237.347 1.135 20 30 BDEDHN C#C[C@H](CC)NC(=O)[C@H](C(C)C)N(C)C ZINC000491462462 388296231 /nfs/dbraw/zinc/29/62/31/388296231.db2.gz IKXIKNFLHWEQDZ-MNOVXSKESA-N 0 3 210.321 1.101 20 30 BDEDHN C#CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000491462473 388296295 /nfs/dbraw/zinc/29/62/95/388296295.db2.gz IMYCTBPOMUZJRL-GFCCVEGCSA-N 0 3 237.347 1.039 20 30 BDEDHN CC#CCN(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451845245 388300602 /nfs/dbraw/zinc/30/06/02/388300602.db2.gz IGJULTZBHSPXBU-NWDGAFQWSA-N 0 3 207.317 1.899 20 30 BDEDHN C#CCN(C)CCCNC(=O)/C=C\C1CC1 ZINC000491554642 388303758 /nfs/dbraw/zinc/30/37/58/388303758.db2.gz KYVIHSKXMLPKPB-FPLPWBNLSA-N 0 3 220.316 1.024 20 30 BDEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000491663715 388309096 /nfs/dbraw/zinc/30/90/96/388309096.db2.gz HFRFRUJIHWBAFP-CLLJXQQHSA-N 0 3 249.358 1.039 20 30 BDEDHN C#C[C@H](CC)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000491663928 388309283 /nfs/dbraw/zinc/30/92/83/388309283.db2.gz SSVCVTRQRMMFEN-KKOKHZNYSA-N 0 3 227.373 1.897 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000491681180 388310358 /nfs/dbraw/zinc/31/03/58/388310358.db2.gz LYURVKDOOPRAJA-TUAOUCFPSA-N 0 3 237.347 1.180 20 30 BDEDHN C#CCN(C)CCCNC(=O)OCCCF ZINC000491703447 388312819 /nfs/dbraw/zinc/31/28/19/388312819.db2.gz NQUIITASPCXYMD-UHFFFAOYSA-N 0 3 230.283 1.027 20 30 BDEDHN C#CCNC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000491717475 388314368 /nfs/dbraw/zinc/31/43/68/388314368.db2.gz QVHMUUJEGRYKKO-GFCCVEGCSA-N 0 3 247.342 1.140 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000491777926 388320054 /nfs/dbraw/zinc/32/00/54/388320054.db2.gz GSNIHBVZCLKCHF-WDEREUQCSA-N 0 3 237.347 1.180 20 30 BDEDHN C#CCN(CCN(C)C)Cc1ccccn1 ZINC000491810545 388322662 /nfs/dbraw/zinc/32/26/62/388322662.db2.gz IVNDRKPASRSWEC-UHFFFAOYSA-N 0 3 217.316 1.078 20 30 BDEDHN C#CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000491814467 388323262 /nfs/dbraw/zinc/32/32/62/388323262.db2.gz NNWRXRAIPUVJMS-XQQFMLRXSA-N 0 3 248.370 1.872 20 30 BDEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC000490994568 388264286 /nfs/dbraw/zinc/26/42/86/388264286.db2.gz DISBNTCLRFPXKC-VXGBXAGGSA-N 0 3 224.348 1.347 20 30 BDEDHN C#CCNC(=O)CCN1CCc2ccccc2C1 ZINC000491019585 388265046 /nfs/dbraw/zinc/26/50/46/388265046.db2.gz BICXJUPTEPPPPY-UHFFFAOYSA-N 0 3 242.322 1.184 20 30 BDEDHN C#CCNC(=O)CCN(C)[C@H](C)c1ccco1 ZINC000491118308 388270104 /nfs/dbraw/zinc/27/01/04/388270104.db2.gz CCTCLKITIVVDMV-LLVKDONJSA-N 0 3 234.299 1.412 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@H]2CC[C@H]2C)CC1 ZINC000491127817 388272099 /nfs/dbraw/zinc/27/20/99/388272099.db2.gz XWYWTOONIAVAMH-YPMHNXCESA-N 0 3 234.343 1.246 20 30 BDEDHN C#CCN(C)CCC(C)(C)CC(=O)OCC ZINC000491141478 388272703 /nfs/dbraw/zinc/27/27/03/388272703.db2.gz AODWTBGFGXSNGL-UHFFFAOYSA-N 0 3 225.332 1.921 20 30 BDEDHN C#CC(C)(C)N(C)CCN1CCOC[C@H]1C ZINC000491164751 388273575 /nfs/dbraw/zinc/27/35/75/388273575.db2.gz FJXGELNXDIVAMM-GFCCVEGCSA-N 0 3 224.348 1.051 20 30 BDEDHN CC(C)(NCCOCCO)c1cccc(C#N)c1 ZINC000595633474 388392002 /nfs/dbraw/zinc/39/20/02/388392002.db2.gz SLCSYVSYPWSJPY-UHFFFAOYSA-N 0 3 248.326 1.392 20 30 BDEDHN CC(C#N)C(=O)NCCCC(C)(C)CO ZINC000393430912 388429298 /nfs/dbraw/zinc/42/92/98/388429298.db2.gz PXRYNMVIJFWHEG-SECBINFHSA-N 0 3 212.293 1.061 20 30 BDEDHN CC(C#N)C(=O)NCCCC(C)(C)CO ZINC000393430915 388429859 /nfs/dbraw/zinc/42/98/59/388429859.db2.gz PXRYNMVIJFWHEG-VIFPVBQESA-N 0 3 212.293 1.061 20 30 BDEDHN N#CCCOCCN1CCC(CCCO)CC1 ZINC000339080545 388480006 /nfs/dbraw/zinc/48/00/06/388480006.db2.gz AXRSBGLGZSIZJZ-UHFFFAOYSA-N 0 3 240.347 1.401 20 30 BDEDHN C=CCCCCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000573226974 388433946 /nfs/dbraw/zinc/43/39/46/388433946.db2.gz UQEDBULYNNKAKR-ZIAGYGMSSA-N 0 3 240.391 1.730 20 30 BDEDHN C#CC(C)(C)N(C)C[C@H](O)CSC ZINC000308300529 388434754 /nfs/dbraw/zinc/43/47/54/388434754.db2.gz KGOGPJIPZQWBJR-VIFPVBQESA-N 0 3 201.335 1.054 20 30 BDEDHN C[C@H](CNCc1ccc(C#N)o1)N(C)C1CC1 ZINC000174357192 388439345 /nfs/dbraw/zinc/43/93/45/388439345.db2.gz SKPDVAWOXHCBCM-SNVBAGLBSA-N 0 3 233.315 1.724 20 30 BDEDHN C=C(C)[C@H](CO)N1CCS[C@H](C)C1 ZINC000649286198 388542243 /nfs/dbraw/zinc/54/22/43/388542243.db2.gz DQUCJHPMPALWGN-ZJUUUORDSA-N 0 3 201.335 1.361 20 30 BDEDHN C#CCN(CC)C(=O)C1CCN(C2CC2)CC1 ZINC000491503359 256788501 /nfs/dbraw/zinc/78/85/01/256788501.db2.gz CACXQCZFXCCPAX-UHFFFAOYSA-N 0 3 234.343 1.343 20 30 BDEDHN CN(CCN1CCCC1=O)[C@@H]1CC[C@H](C#N)C1 ZINC000549844442 388593048 /nfs/dbraw/zinc/59/30/48/388593048.db2.gz UYJSAWQCRWIYGT-NWDGAFQWSA-N 0 3 235.331 1.233 20 30 BDEDHN CN(C)C(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000298278702 388606098 /nfs/dbraw/zinc/60/60/98/388606098.db2.gz LNEPEWCOOWDOMA-UHFFFAOYSA-N 0 3 245.326 1.468 20 30 BDEDHN C=CCCCCCNC(=O)NCCN(C)C ZINC000521267932 388566694 /nfs/dbraw/zinc/56/66/94/388566694.db2.gz AYXNNAVBGQURAM-UHFFFAOYSA-N 0 3 227.352 1.594 20 30 BDEDHN C[C@H](CCC#N)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528785092 388572298 /nfs/dbraw/zinc/57/22/98/388572298.db2.gz RHMHHGBJSUTPKN-LSSIXWDNSA-N 0 3 240.372 1.664 20 30 BDEDHN N#CCCCCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784351 388572519 /nfs/dbraw/zinc/57/25/19/388572519.db2.gz RHOCSRQXTXKKJG-BFQNTYOBSA-N 0 3 240.372 1.666 20 30 BDEDHN CC[C@@H]1CN(C)CCN1Cc1cc(C#N)n(C)c1 ZINC000552137807 388575333 /nfs/dbraw/zinc/57/53/33/388575333.db2.gz NPSIHETUADEFKB-CYBMUJFWSA-N 0 3 246.358 1.423 20 30 BDEDHN C=C(CC)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000538014526 388675963 /nfs/dbraw/zinc/67/59/63/388675963.db2.gz AZYREMAVUPYUBO-GFCCVEGCSA-N 0 3 237.347 1.442 20 30 BDEDHN CN1CC[C@H]2CCN(c3cccnc3C#N)C[C@@H]21 ZINC000368676162 388682446 /nfs/dbraw/zinc/68/24/46/388682446.db2.gz SGHJBHIBTNOQSU-FZMZJTMJSA-N 0 3 242.326 1.484 20 30 BDEDHN Cc1ccc(NC2CCN(C)CC2)nc1C#N ZINC000302611384 388623242 /nfs/dbraw/zinc/62/32/42/388623242.db2.gz BUOBRIDOUVVOPN-UHFFFAOYSA-N 0 3 230.315 1.768 20 30 BDEDHN C=CC[C@@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000551310613 388626648 /nfs/dbraw/zinc/62/66/48/388626648.db2.gz DELHOFXJQNFOJT-NEPJUHHUSA-N 0 3 245.326 1.922 20 30 BDEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)O ZINC000403982367 388631861 /nfs/dbraw/zinc/63/18/61/388631861.db2.gz BCQFQIDERKNFFX-SECBINFHSA-N 0 3 236.290 1.946 20 30 BDEDHN CC(C)(O)CNCc1ccc(C#N)c(F)c1 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C=CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763044695 585442180 /nfs/dbraw/zinc/44/21/80/585442180.db2.gz PYANMOGFJXLBEE-UHFFFAOYSA-N 0 3 236.359 1.895 20 30 BDEDHN C=C(C)CN(CC)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763660586 585451964 /nfs/dbraw/zinc/45/19/64/585451964.db2.gz MZVRMICSLUMIOI-NSHDSACASA-N 0 3 223.316 1.980 20 30 BDEDHN C=CCN(C[C@@H]1CC2(CC2)C(=O)O1)C(C)C ZINC000763670490 585452103 /nfs/dbraw/zinc/45/21/03/585452103.db2.gz GKDFJOVTWHOVKO-NSHDSACASA-N 0 3 223.316 1.979 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1cccnc1 ZINC000763953388 585457673 /nfs/dbraw/zinc/45/76/73/585457673.db2.gz IVBSURJQGLUMRG-NSHDSACASA-N 0 3 233.315 1.377 20 30 BDEDHN CC#CC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000764373838 585464187 /nfs/dbraw/zinc/46/41/87/585464187.db2.gz QHMISRHLCQQRIC-UHFFFAOYSA-N 0 3 246.310 1.589 20 30 BDEDHN CC#CC(=O)N(C)C1CCN(CCC)CC1 ZINC000764426624 585465471 /nfs/dbraw/zinc/46/54/71/585465471.db2.gz XRJHUWLKKUUMRG-UHFFFAOYSA-N 0 3 222.332 1.343 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000764474861 585466238 /nfs/dbraw/zinc/46/62/38/585466238.db2.gz JLZHITHLZHIKQH-UHFFFAOYSA-N 0 3 235.331 1.447 20 30 BDEDHN CC#CC(=O)NCCN1CCCC[C@@H]1CC ZINC000764507352 585467184 /nfs/dbraw/zinc/46/71/84/585467184.db2.gz MGZAECMMYAGDGI-LBPRGKRZSA-N 0 3 222.332 1.390 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC#N)C1CCCC1 ZINC000764539891 585467647 /nfs/dbraw/zinc/46/76/47/585467647.db2.gz QFNCLGZNERXMPP-UHFFFAOYSA-N 0 3 235.331 1.399 20 30 BDEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764803653 585474367 /nfs/dbraw/zinc/47/43/67/585474367.db2.gz FFNWQDVNPPOQKX-YPMHNXCESA-N 0 3 249.358 1.324 20 30 BDEDHN COc1ccnc(N=NC2CCN3CCC[C@@H]23)n1 ZINC000765570958 585490049 /nfs/dbraw/zinc/49/00/49/585490049.db2.gz ARYVOTNVLFSGBY-JTQLQIEISA-N 0 3 247.302 1.121 20 30 BDEDHN C#CCCCN1CCN(c2cc(C)ccn2)CC1 ZINC000766906567 585511166 /nfs/dbraw/zinc/51/11/66/585511166.db2.gz RSEFRELOPISLLU-UHFFFAOYSA-N 0 3 243.354 1.925 20 30 BDEDHN C#CCC(C)(C)C(=O)NCCN(C)CCCC ZINC000767076113 585513445 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/nfs/dbraw/zinc/12/20/09/384122009.db2.gz WFDZREWMIZETAN-AWEZNQCLSA-N 0 3 217.312 1.545 20 30 BDEDHN C#CCCCCNCc1ncc(Cl)n1C ZINC000229674156 533033723 /nfs/dbraw/zinc/03/37/23/533033723.db2.gz CGWPNRNSRONYMT-UHFFFAOYSA-N 0 3 225.723 1.967 20 30 BDEDHN CC(C)(C)NC(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185711183 134392041 /nfs/dbraw/zinc/39/20/41/134392041.db2.gz OKARDERPTQOSIR-MNOVXSKESA-N 0 3 237.347 1.573 20 30 BDEDHN Cn1cc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185712582 134392159 /nfs/dbraw/zinc/39/21/59/134392159.db2.gz PTPXISHGMRTJCP-JQWIXIFHSA-N 0 3 218.304 1.592 20 30 BDEDHN C#CCCN1CCCC[C@H]1CN1CCCC1=O ZINC000371198330 533049003 /nfs/dbraw/zinc/04/90/03/533049003.db2.gz MOOKPTDJHMQFPN-ZDUSSCGKSA-N 0 3 234.343 1.487 20 30 BDEDHN C#CCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000371209060 533050060 /nfs/dbraw/zinc/05/00/60/533050060.db2.gz RTVKNERVXPESBR-NSHDSACASA-N 0 3 203.289 1.612 20 30 BDEDHN C=CCN(C(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000644157669 384228936 /nfs/dbraw/zinc/22/89/36/384228936.db2.gz 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C#CCNC(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000490950341 384541482 /nfs/dbraw/zinc/54/14/82/384541482.db2.gz PRUFXMIBJJBDHD-NWDGAFQWSA-N 0 3 236.359 1.492 20 30 BDEDHN COCC[C@H](CO)NCc1cc(C#N)cs1 ZINC000300781322 384574725 /nfs/dbraw/zinc/57/47/25/384574725.db2.gz BGUOZKCWOXDOGU-SNVBAGLBSA-N 0 3 240.328 1.107 20 30 BDEDHN CSC[C@@H](O)CNCc1ccc(C#N)s1 ZINC000564857543 384584115 /nfs/dbraw/zinc/58/41/15/384584115.db2.gz MSLTVHLOSSFRRP-QMMMGPOBSA-N 0 3 242.369 1.433 20 30 BDEDHN C=C(CC)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000497167600 384603175 /nfs/dbraw/zinc/60/31/75/384603175.db2.gz WQTAHILPQZXGLF-NSHDSACASA-N 0 3 226.320 1.725 20 30 BDEDHN CCCNC(=O)CCNCc1cccc(C#N)c1 ZINC000044351368 384617470 /nfs/dbraw/zinc/61/74/70/384617470.db2.gz PXCMRLXAJOOSJG-UHFFFAOYSA-N 0 3 245.326 1.564 20 30 BDEDHN C#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)C(C)C ZINC000490987394 384619965 /nfs/dbraw/zinc/61/99/65/384619965.db2.gz ZGOYNPJVBYVWFS-CQSZACIVSA-N 0 3 248.370 1.635 20 30 BDEDHN C[C@H]1CCNC(=O)[C@@H]1NCCC(C)(C)C#N 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CCC[C@H](O)CNCc1cc(C#N)n(C)c1 ZINC000189598414 385219465 /nfs/dbraw/zinc/21/94/65/385219465.db2.gz ALIFJZVZMZZWLC-LBPRGKRZSA-N 0 3 221.304 1.147 20 30 BDEDHN C=CCN[C@@H](CCO)c1ccc(OC)cc1 ZINC000305784757 385226529 /nfs/dbraw/zinc/22/65/29/385226529.db2.gz XFEOGSKDQKBPKJ-ZDUSSCGKSA-N 0 3 221.300 1.894 20 30 BDEDHN C[C@@H]1OCC[C@@H]1NCc1cccc(C#N)c1 ZINC000120091553 385227809 /nfs/dbraw/zinc/22/78/09/385227809.db2.gz AHZZCSWNNUPOLH-GWCFXTLKSA-N 0 3 216.284 1.825 20 30 BDEDHN CC(C#N)C(=O)NCCC1CCOCC1 ZINC000308871601 385228353 /nfs/dbraw/zinc/22/83/53/385228353.db2.gz MXEABBAQAJXYDA-SECBINFHSA-N 0 3 210.277 1.079 20 30 BDEDHN C=CCCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000272531060 385230254 /nfs/dbraw/zinc/23/02/54/385230254.db2.gz JDIYZCUHHILYPP-QWRGUYRKSA-N 0 3 210.321 1.552 20 30 BDEDHN Cc1nsc(N2C[C@H]3CN(C)C[C@H]3C2)c1C#N ZINC000287838936 385234343 /nfs/dbraw/zinc/23/43/43/385234343.db2.gz RKKYIIKIYOKEIO-AOOOYVTPSA-N 0 3 248.355 1.321 20 30 BDEDHN C#CCN(C)CCCNc1cc(OCC)ncn1 ZINC000292905826 533109769 /nfs/dbraw/zinc/10/97/69/533109769.db2.gz XAVNLCXGZVOQPV-UHFFFAOYSA-N 0 3 248.330 1.242 20 30 BDEDHN C=CC1CCN(C(=O)[C@H](N)[C@H](C)CC)CC1 ZINC000157700686 385255627 /nfs/dbraw/zinc/25/56/27/385255627.db2.gz NHCFBLOXTFFASU-ZYHUDNBSSA-N 0 3 224.348 1.784 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](OCCO)C2)C1 ZINC000407989074 385305841 /nfs/dbraw/zinc/30/58/41/385305841.db2.gz HYIDVJMWXGRNIK-UPJWGTAASA-N 0 3 238.331 1.152 20 30 BDEDHN COC(=O)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000407989092 385306203 /nfs/dbraw/zinc/30/62/03/385306203.db2.gz HZWODTXGOXUORK-HBNTYKKESA-N 0 3 222.288 1.174 20 30 BDEDHN CCN(CCO)[C@@H](C)c1cccc(C#N)c1 ZINC000189869195 385310477 /nfs/dbraw/zinc/31/04/77/385310477.db2.gz WRLRRHIZKRNDCW-NSHDSACASA-N 0 3 218.300 1.933 20 30 BDEDHN C[C@]1(O)CCN(Cc2cccc(C#N)c2)C1 ZINC000178004354 385318646 /nfs/dbraw/zinc/31/86/46/385318646.db2.gz SYZVZQFIBISWSC-ZDUSSCGKSA-N 0 3 216.284 1.515 20 30 BDEDHN CC[C@@H](C(=O)NC1(C#N)CCCC1)N(C)C ZINC000407979825 385277720 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237.347 1.799 20 30 BDEDHN Cc1csc(NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424076262 387479115 /nfs/dbraw/zinc/47/91/15/387479115.db2.gz LPARDHUJEPYTFF-QMMMGPOBSA-N 0 3 238.316 1.411 20 30 BDEDHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424077769 387481271 /nfs/dbraw/zinc/48/12/71/387481271.db2.gz OTMGGVGWKXHHGA-WOPDTQHZSA-N 0 3 237.347 1.702 20 30 BDEDHN C[C@@H]1C[C@H](C)CN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424080882 387482192 /nfs/dbraw/zinc/48/21/92/387482192.db2.gz UEUWHRIDDKLGSJ-GRYCIOLGSA-N 0 3 237.347 1.512 20 30 BDEDHN COc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424081336 387482269 /nfs/dbraw/zinc/48/22/69/387482269.db2.gz VGFHGTRXZWONNS-GFCCVEGCSA-N 0 3 247.298 1.655 20 30 BDEDHN C=CCCCCNC(=O)CN(CC)CC ZINC000274691439 387485927 /nfs/dbraw/zinc/48/59/27/387485927.db2.gz LKUQASZRLASBKA-UHFFFAOYSA-N 0 3 212.337 1.801 20 30 BDEDHN CCC1(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424121809 387585615 /nfs/dbraw/zinc/58/56/15/387585615.db2.gz GGENQSHRJBVFNX-SNVBAGLBSA-N 0 3 223.320 1.314 20 30 BDEDHN C=CCN1CCC(NC(=O)C2(C)CCC2)CC1 ZINC000426710219 387587587 /nfs/dbraw/zinc/58/75/87/387587587.db2.gz IAKVIVKCUQZAKH-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN CC(C)[C@H](C)CNC(=O)[C@H](N)CCCC#N ZINC000424128502 387604512 /nfs/dbraw/zinc/60/45/12/387604512.db2.gz RJIJQXPBZKYYJQ-GHMZBOCLSA-N 0 3 225.336 1.416 20 30 BDEDHN CC(C)[C@@H](C)CNC(=O)[C@H](N)CCCC#N ZINC000424128507 387604539 /nfs/dbraw/zinc/60/45/39/387604539.db2.gz RJIJQXPBZKYYJQ-WDEREUQCSA-N 0 3 225.336 1.416 20 30 BDEDHN CN(c1ccc(C#N)cn1)[C@@H]1CCCN(C)C1 ZINC000053246328 387548432 /nfs/dbraw/zinc/54/84/32/387548432.db2.gz YRSFSBOXCYXYQF-GFCCVEGCSA-N 0 3 230.315 1.484 20 30 BDEDHN CC#CCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452004133 387695310 /nfs/dbraw/zinc/69/53/10/387695310.db2.gz AODKIVOGJASCKX-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C=CCNC(=O)CN1[C@@H](C)CCC1(C)C ZINC000451999667 387694008 /nfs/dbraw/zinc/69/40/08/387694008.db2.gz AYLIZJKQBZYMHD-JTQLQIEISA-N 0 3 210.321 1.552 20 30 BDEDHN CC(C)(CN1CCCC1)NCC1(C#N)CC1 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/nfs/dbraw/zinc/71/95/22/588719522.db2.gz ZFRBUQPVQKMEGJ-UHFFFAOYSA-N 0 3 221.275 1.744 20 30 BDEDHN C#CCSCCNC[C@@H](O)c1ccccn1 ZINC000853100698 588719818 /nfs/dbraw/zinc/71/98/18/588719818.db2.gz LFAJUEJAKAENEW-GFCCVEGCSA-N 0 3 236.340 1.071 20 30 BDEDHN CC(C)(CC#N)CNC[C@@H](O)c1ccccn1 ZINC000853107827 588721065 /nfs/dbraw/zinc/72/10/65/588721065.db2.gz YGUFSQLBHXQGRH-GFCCVEGCSA-N 0 3 233.315 1.644 20 30 BDEDHN CC(=NNC(=N)N)c1ccc2c(c1)CCCO2 ZINC000853287384 588730736 /nfs/dbraw/zinc/73/07/36/588730736.db2.gz KINCMWJTNTYBKN-UHFFFAOYSA-N 0 3 232.287 1.219 20 30 BDEDHN C#Cc1cccnc1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000853665349 588753964 /nfs/dbraw/zinc/75/39/64/588753964.db2.gz IOUOIADFSJSAPA-OLZOCXBDSA-N 0 3 227.311 1.203 20 30 BDEDHN C#C[C@H](CC)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000854072783 588773070 /nfs/dbraw/zinc/77/30/70/588773070.db2.gz LBSQPYZKDZKJLE-CHWSQXEVSA-N 0 3 247.342 1.054 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000854078683 588774078 /nfs/dbraw/zinc/77/40/78/588774078.db2.gz PHVYRHQSFLWETO-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C=CCONC(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000854118623 588775081 /nfs/dbraw/zinc/77/50/81/588775081.db2.gz TZFCVQPYPIKFJI-JTQLQIEISA-N 0 3 241.335 1.276 20 30 BDEDHN CC(C)C#CC(=O)N(C)C1CCN(C)CC1 ZINC000854123318 588775477 /nfs/dbraw/zinc/77/54/77/588775477.db2.gz OAODIAIYGVVAOW-UHFFFAOYSA-N 0 3 222.332 1.198 20 30 BDEDHN C#CCNC(=O)CN1CCC2(CCCCC2)CC1 ZINC000112204736 588785829 /nfs/dbraw/zinc/78/58/29/588785829.db2.gz MACCKPNJNSUNNN-UHFFFAOYSA-N 0 3 248.370 1.782 20 30 BDEDHN CC(C)C#CC(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000854454997 588787407 /nfs/dbraw/zinc/78/74/07/588787407.db2.gz CUWXEQDBWKOOLP-KGLIPLIRSA-N 0 3 248.370 1.731 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855163127 588824956 /nfs/dbraw/zinc/82/49/56/588824956.db2.gz STUIQJKXZXUXGP-LBPRGKRZSA-N 0 3 236.359 1.635 20 30 BDEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C#CC1CC1 ZINC000855163236 588824960 /nfs/dbraw/zinc/82/49/60/588824960.db2.gz WBEKZNUWWMFJAT-LBPRGKRZSA-N 0 3 234.343 1.389 20 30 BDEDHN C=CC[C@@H]1CCN1C(=O)C(=C)CN(C)C ZINC000890553058 582474486 /nfs/dbraw/zinc/47/44/86/582474486.db2.gz VMUKBDDFYLRFJW-LLVKDONJSA-N 0 3 208.305 1.281 20 30 BDEDHN C#C[C@H](CC)NC(=O)NCCN1CCCCC1 ZINC000811657585 582485877 /nfs/dbraw/zinc/48/58/77/582485877.db2.gz BDMCSJYEWXOZAE-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN C#C[C@@H](C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000812148861 582495827 /nfs/dbraw/zinc/49/58/27/582495827.db2.gz AAROJFJECWWMNS-VXGBXAGGSA-N 0 3 237.347 1.182 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cc2n(n1)CCCC2 ZINC000804751660 582550954 /nfs/dbraw/zinc/55/09/54/582550954.db2.gz CXTBMGKRUFFULN-UHFFFAOYSA-N 0 3 248.330 1.276 20 30 BDEDHN C#Cc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000891313739 582662747 /nfs/dbraw/zinc/66/27/47/582662747.db2.gz WTSWJQNOKKCYGV-UHFFFAOYSA-N 0 3 242.322 1.948 20 30 BDEDHN CN1CCCN(Cc2csc(C#N)c2)CC1 ZINC000891394732 582676787 /nfs/dbraw/zinc/67/67/87/582676787.db2.gz YLKRHZVDAXETLO-UHFFFAOYSA-N 0 3 235.356 1.757 20 30 BDEDHN CC(Cc1cccc(F)c1)=NNC1=N[C@@H](C)CN1 ZINC000779792354 582730723 /nfs/dbraw/zinc/73/07/23/582730723.db2.gz QWGPUCCOALCMMV-JTQLQIEISA-N 0 3 248.305 1.681 20 30 BDEDHN CCCCC(COC)=NNC1=N[C@H](C)CN1 ZINC000779795303 582732896 /nfs/dbraw/zinc/73/28/96/582732896.db2.gz RLBMPSGJDGVEHV-SECBINFHSA-N 0 3 226.324 1.116 20 30 BDEDHN C=CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000113651748 588847895 /nfs/dbraw/zinc/84/78/95/588847895.db2.gz YGVNHOHXNCZXGZ-JTQLQIEISA-N 0 3 220.272 1.284 20 30 BDEDHN C=CCONC(=O)N1CCNCCC12CCC2 ZINC000891942489 582741726 /nfs/dbraw/zinc/74/17/26/582741726.db2.gz FXCOSHRWAFVDDM-UHFFFAOYSA-N 0 3 239.319 1.032 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000855795454 588848521 /nfs/dbraw/zinc/84/85/21/588848521.db2.gz DDVUVGXJUYYSGH-VXGBXAGGSA-N 0 3 240.347 1.178 20 30 BDEDHN C=CCN1CCC(Nc2nc(C)cc(N)n2)CC1 ZINC000892396693 582875397 /nfs/dbraw/zinc/87/53/97/582875397.db2.gz KEOHBZAVBNKDBQ-UHFFFAOYSA-N 0 3 247.346 1.430 20 30 BDEDHN C[C@H](Cn1cncn1)NCC#Cc1ccccc1 ZINC000892687544 582955947 /nfs/dbraw/zinc/95/59/47/582955947.db2.gz VMFVKWCOERAJLH-CYBMUJFWSA-N 0 3 240.310 1.308 20 30 BDEDHN C[C@H](C#N)COC(=O)C12CCCN(CCC1)C2 ZINC000892869417 583000532 /nfs/dbraw/zinc/00/05/32/583000532.db2.gz ZPRDZHWCXUTUOC-LLVKDONJSA-N 0 3 236.315 1.565 20 30 BDEDHN Cc1cc(C#N)nc(N2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000893077622 583043116 /nfs/dbraw/zinc/04/31/16/583043116.db2.gz BGJYNTYYWJPMAA-NEPJUHHUSA-N 0 3 244.342 1.791 20 30 BDEDHN C=CCCOCCNCc1cnn(C)c1C1CC1 ZINC000893251877 583078483 /nfs/dbraw/zinc/07/84/83/583078483.db2.gz SWFYIUIUDGECNO-UHFFFAOYSA-N 0 3 249.358 1.980 20 30 BDEDHN C=CC[C@H](CO)CNCc1c(C)noc1CC ZINC000893285308 583086097 /nfs/dbraw/zinc/08/60/97/583086097.db2.gz XCGMWYMIQCMHQR-NSHDSACASA-N 0 3 238.331 1.820 20 30 BDEDHN C#CCCCCNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000893635885 583180179 /nfs/dbraw/zinc/18/01/79/583180179.db2.gz KZLPIUIZIGJTJB-OLZOCXBDSA-N 0 3 249.358 1.135 20 30 BDEDHN Cc1ccnc(N2CC[C@@H]3CN(C)C[C@@H]32)c1C#N ZINC000893941778 583255203 /nfs/dbraw/zinc/25/52/03/583255203.db2.gz WFTUUMKKIRZRQD-YPMHNXCESA-N 0 3 242.326 1.402 20 30 BDEDHN CN1C[C@@H]2CCN(c3cccc(C#N)n3)[C@@H]2C1 ZINC000893941816 583255481 /nfs/dbraw/zinc/25/54/81/583255481.db2.gz XAGUBPOTICDTCV-CMPLNLGQSA-N 0 3 228.299 1.094 20 30 BDEDHN C#CCNC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000015550294 583321880 /nfs/dbraw/zinc/32/18/80/583321880.db2.gz SNXOEROKQNMZLN-HNNXBMFYSA-N 0 3 244.338 1.723 20 30 BDEDHN C[C@]1(C(N)=O)CCN(Cc2csc(C#N)c2)C1 ZINC000894184838 583332597 /nfs/dbraw/zinc/33/25/97/583332597.db2.gz LFNRZZXYCDIHRH-LBPRGKRZSA-N 0 3 249.339 1.317 20 30 BDEDHN CC#CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000894272068 583403936 /nfs/dbraw/zinc/40/39/36/583403936.db2.gz PTCOHMNGJLJDFI-OLZOCXBDSA-N 0 3 249.358 1.278 20 30 BDEDHN N=C(N)NN=Cc1cccc(Br)c1 ZINC000017325227 583440632 /nfs/dbraw/zinc/44/06/32/583440632.db2.gz HDBMYFNAHBEHSA-UHFFFAOYSA-N 0 3 241.092 1.266 20 30 BDEDHN C#C[C@H](C)N[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894383474 583442734 /nfs/dbraw/zinc/44/27/34/583442734.db2.gz LYUMEEGMONJWEZ-HBNTYKKESA-N 0 3 227.279 1.231 20 30 BDEDHN C#C[C@H](C)NC[C@@H]1C[C@@]1(C)Br ZINC000894385272 583443651 /nfs/dbraw/zinc/44/36/51/583443651.db2.gz YJGGSYSCNMDEFC-XHNCKOQMSA-N 0 3 216.122 1.771 20 30 BDEDHN C#C[C@H](NCc1cc[nH]c(=O)c1)C(C)C ZINC000894387892 583444102 /nfs/dbraw/zinc/44/41/02/583444102.db2.gz XQYBDEXHXVBRKM-NSHDSACASA-N 0 3 204.273 1.535 20 30 BDEDHN C=CCCCNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000894511671 583475277 /nfs/dbraw/zinc/47/52/77/583475277.db2.gz PFZQCWHBUWBSLR-RYUDHWBXSA-N 0 3 237.347 1.298 20 30 BDEDHN C#C[C@H](N[C@@H](C)COC(C)=O)C(C)(C)C ZINC000894517648 583476547 /nfs/dbraw/zinc/47/65/47/583476547.db2.gz NJCQHUULHRPPBE-ONGXEEELSA-N 0 3 211.305 1.576 20 30 BDEDHN C#C[C@H](CC)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894737537 583514518 /nfs/dbraw/zinc/51/45/18/583514518.db2.gz BQYRRYWHLCMHQH-SNVBAGLBSA-N 0 3 229.283 1.770 20 30 BDEDHN Cc1cc(CNC[C@@H]2COCO2)ccc1C#N ZINC000894878970 583542459 /nfs/dbraw/zinc/54/24/59/583542459.db2.gz OASHAJZXAOXSQT-CYBMUJFWSA-N 0 3 232.283 1.329 20 30 BDEDHN C[C@@H]1CNC(NN=C[C@@]2(C)CCCS2)=N1 ZINC000793039973 583551241 /nfs/dbraw/zinc/55/12/41/583551241.db2.gz RLGPJIDCROLJLJ-PSASIEDQSA-N 0 3 226.349 1.195 20 30 BDEDHN CCC[C@H]1CN(c2nc(C)ccc2C#N)CCN1 ZINC000895058857 583575573 /nfs/dbraw/zinc/57/55/73/583575573.db2.gz OWZGBYSTQKCXRI-ZDUSSCGKSA-N 0 3 244.342 1.840 20 30 BDEDHN CCC[C@@H]1CN(c2ncc(C#N)cc2F)CCN1 ZINC000895059334 583575654 /nfs/dbraw/zinc/57/56/54/583575654.db2.gz SSJMEKGWMPJTKH-LLVKDONJSA-N 0 3 248.305 1.671 20 30 BDEDHN C#CC1CCN(Cc2ocnc2C)CC1 ZINC000895086931 583585026 /nfs/dbraw/zinc/58/50/26/583585026.db2.gz XSOIAHAOZKXCPW-UHFFFAOYSA-N 0 3 204.273 1.828 20 30 BDEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(C)nn1C ZINC000793543994 583589578 /nfs/dbraw/zinc/58/95/78/583589578.db2.gz CKNVBIPUIPFKLZ-VXGBXAGGSA-N 0 3 237.347 1.564 20 30 BDEDHN C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895156825 583607948 /nfs/dbraw/zinc/60/79/48/583607948.db2.gz GYXOIYWBZAQZMS-IJLUTSLNSA-N 0 3 240.347 1.925 20 30 BDEDHN C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159470 583608446 /nfs/dbraw/zinc/60/84/46/583608446.db2.gz GICHBHHCUKHKJR-UTUOFQBUSA-N 0 3 240.347 1.783 20 30 BDEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)C1CCCCC1 ZINC000895159749 583609357 /nfs/dbraw/zinc/60/93/57/583609357.db2.gz HWUXMGNZNPFDPY-JQWIXIFHSA-N 0 3 240.347 1.925 20 30 BDEDHN C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)[C@@H](C)C1 ZINC000895160723 583609641 /nfs/dbraw/zinc/60/96/41/583609641.db2.gz OZEKMIIFSIIZHP-NOOOWODRSA-N 0 3 240.347 1.781 20 30 BDEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)C1CCCC1 ZINC000895160229 583609968 /nfs/dbraw/zinc/60/99/68/583609968.db2.gz LCZLQGHJALCDKP-ONGXEEELSA-N 0 3 226.320 1.535 20 30 BDEDHN CC1(C)CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161718 583610307 /nfs/dbraw/zinc/61/03/07/583610307.db2.gz TWHQFRLIGIAWNT-QWRGUYRKSA-N 0 3 240.347 1.925 20 30 BDEDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C[C@@H](C)C1 ZINC000895162671 583610900 /nfs/dbraw/zinc/61/09/00/583610900.db2.gz NAIUMGUGGDSKQT-NOOOWODRSA-N 0 3 240.347 1.781 20 30 BDEDHN CCC1CCC([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895162287 583610980 /nfs/dbraw/zinc/61/09/80/583610980.db2.gz JVLYGGLDHMZSFV-HTAVTVPLSA-N 0 3 240.347 1.925 20 30 BDEDHN O=C1[C@@H]([NH2+]C2CCCCCC2)CCCN1[O-] ZINC000895163191 583611149 /nfs/dbraw/zinc/61/11/49/583611149.db2.gz SAPIHPQVINJVKR-NSHDSACASA-N 0 3 226.320 1.679 20 30 BDEDHN C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895162904 583611284 /nfs/dbraw/zinc/61/12/84/583611284.db2.gz PFJZMVZGAJNRRS-VWYCJHECSA-N 0 3 226.320 1.535 20 30 BDEDHN C=CCNC(=S)N1CC[C@@H](N2CCCC2)C1 ZINC000727089639 583614887 /nfs/dbraw/zinc/61/48/87/583614887.db2.gz VHESTMBUCCQVTP-LLVKDONJSA-N 0 3 239.388 1.217 20 30 BDEDHN C=CC(C)(C)NC(=O)NC[C@H](C)N(C)C ZINC000895209186 583625996 /nfs/dbraw/zinc/62/59/96/583625996.db2.gz QUTDHKCGLAAEID-VIFPVBQESA-N 0 3 213.325 1.200 20 30 BDEDHN C#CCCN1CCc2nc(C(C)C)ncc2C1 ZINC000857880755 588919940 /nfs/dbraw/zinc/91/99/40/588919940.db2.gz MISHDYJSWNUIBY-UHFFFAOYSA-N 0 3 229.327 1.981 20 30 BDEDHN C#CC[C@H](CO)NCc1ccc(N(C)C)cc1C ZINC000895490906 583681071 /nfs/dbraw/zinc/68/10/71/583681071.db2.gz VLNGPKGLQCYXIY-CQSZACIVSA-N 0 3 246.354 1.535 20 30 BDEDHN C=C[C@H](C)ONC(=O)NCCN1CCC[C@@H]1C ZINC000895578417 583695020 /nfs/dbraw/zinc/69/50/20/583695020.db2.gz JVJJXMOQECUUGD-QWRGUYRKSA-N 0 3 241.335 1.276 20 30 BDEDHN C#CCC1(O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000895674809 583704229 /nfs/dbraw/zinc/70/42/29/583704229.db2.gz DOTUTOISFAITEC-UHFFFAOYSA-N 0 3 245.322 1.742 20 30 BDEDHN C#CCC1(O)CCN(C[C@H]2CCC=CO2)CC1 ZINC000895669872 583706028 /nfs/dbraw/zinc/70/60/28/583706028.db2.gz JTVWWAZASRRGDP-CYBMUJFWSA-N 0 3 235.327 1.529 20 30 BDEDHN N#Cc1cccc(CN2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000895779145 583726523 /nfs/dbraw/zinc/72/65/23/583726523.db2.gz LMEDDQQOHXJCQO-PHIMTYICSA-N 0 3 245.351 1.748 20 30 BDEDHN C#CCSCC(=O)NCCN(C)CCCC ZINC000896323710 583790878 /nfs/dbraw/zinc/79/08/78/583790878.db2.gz VUJRYHCTLZGFCR-UHFFFAOYSA-N 0 3 242.388 1.201 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)nc1 ZINC000883400895 583794722 /nfs/dbraw/zinc/79/47/22/583794722.db2.gz XUKLQWOOQCNLJA-LBPRGKRZSA-N 0 3 236.315 1.507 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1ccc(C(N)=O)cc1 ZINC000883401599 583796324 /nfs/dbraw/zinc/79/63/24/583796324.db2.gz RMYYTPLYJSGUTR-ZDUSSCGKSA-N 0 3 248.326 1.202 20 30 BDEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2C2CC2)n1 ZINC000896410079 583800544 /nfs/dbraw/zinc/80/05/44/583800544.db2.gz VMGOZRFLTFIYBB-KGLIPLIRSA-N 0 3 243.310 1.610 20 30 BDEDHN C#CCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000858089575 588932059 /nfs/dbraw/zinc/93/20/59/588932059.db2.gz XQJOFRJNKPYCBS-ZDUSSCGKSA-N 0 3 249.358 1.326 20 30 BDEDHN N#C[C@@H]1CC[C@@H](NCc2cncc(O)c2)C1 ZINC000897315702 583918698 /nfs/dbraw/zinc/91/86/98/583918698.db2.gz ORVQNXZWVZCTLY-MWLCHTKSSA-N 0 3 217.272 1.569 20 30 BDEDHN C=CC[C@H](C)NC(=O)NCCN1CC[C@H](C)C1 ZINC000897436233 583976723 /nfs/dbraw/zinc/97/67/23/583976723.db2.gz WFQCJLPNKWJWQG-RYUDHWBXSA-N 0 3 239.363 1.592 20 30 BDEDHN COCc1cc(C=NNc2ccnc(C)c2)no1 ZINC000863159579 583979171 /nfs/dbraw/zinc/97/91/71/583979171.db2.gz XALCQYKZKDQAKF-UHFFFAOYSA-N 0 3 246.270 1.392 20 30 BDEDHN C#CCN(C(=O)NCCN1CCC[C@H]1C)C1CC1 ZINC000897494272 583996443 /nfs/dbraw/zinc/99/64/43/583996443.db2.gz IDBCFURCNLIZSB-GFCCVEGCSA-N 0 3 249.358 1.278 20 30 BDEDHN C=CCCN(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897516192 583999848 /nfs/dbraw/zinc/99/98/48/583999848.db2.gz BFFXLTZLXRDPLT-LLVKDONJSA-N 0 3 224.348 1.894 20 30 BDEDHN C=CCN1CCC(NC(=S)NC2CC2)CC1 ZINC000729942791 584030946 /nfs/dbraw/zinc/03/09/46/584030946.db2.gz SAWYQTVJTRZDFM-UHFFFAOYSA-N 0 3 239.388 1.263 20 30 BDEDHN N#Cc1ccc(CNC2CC(CCO)C2)o1 ZINC000898008694 584071011 /nfs/dbraw/zinc/07/10/11/584071011.db2.gz TWYDKQIFQKIXPH-UHFFFAOYSA-N 0 3 220.272 1.402 20 30 BDEDHN C=C(C)COCCNc1ccnc(CO)c1 ZINC000858446388 588955769 /nfs/dbraw/zinc/95/57/69/588955769.db2.gz FCCMAOZBRSKRMF-UHFFFAOYSA-N 0 3 222.288 1.579 20 30 BDEDHN N#Cc1ccc(CNCC[C@H](O)C2CC2)s1 ZINC000898203438 584090323 /nfs/dbraw/zinc/09/03/23/584090323.db2.gz UZCVXXDODWCKOB-LBPRGKRZSA-N 0 3 236.340 1.870 20 30 BDEDHN CC(C)COc1ccc(C=NNC(=N)N)cc1 ZINC000730144326 584124617 /nfs/dbraw/zinc/12/46/17/584124617.db2.gz JMIHOZKCZJBGBU-UHFFFAOYSA-N 0 3 234.303 1.538 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899627049 584221492 /nfs/dbraw/zinc/22/14/92/584221492.db2.gz GBNYCZKVMZVTGH-MXWKQRLJSA-N 0 3 222.288 1.174 20 30 BDEDHN C[C@@H]1CC2(CC(=Nn3cnnc3)C2)CO1 ZINC000901120147 584386534 /nfs/dbraw/zinc/38/65/34/584386534.db2.gz UOEBRSDQZMDZEV-HNHGDDPOSA-N 0 3 206.249 1.071 20 30 BDEDHN C#CC[C@H](COC)Nc1ccnc(CO)c1 ZINC000858861571 588980138 /nfs/dbraw/zinc/98/01/38/588980138.db2.gz FLKNEFNEUFFIFJ-LLVKDONJSA-N 0 3 220.272 1.024 20 30 BDEDHN CS[C@@H]1CCCC(=NNC2=N[C@@H](C)CN2)C1 ZINC000901216091 584401403 /nfs/dbraw/zinc/40/14/03/584401403.db2.gz OOBQLIOOLCBOKG-WCBMZHEXSA-N 0 3 240.376 1.585 20 30 BDEDHN C#CCCOC(=O)N(C)CCN1CCCC1 ZINC000858942885 588986645 /nfs/dbraw/zinc/98/66/45/588986645.db2.gz CFYIVFXSNLHPKW-UHFFFAOYSA-N 0 3 224.304 1.174 20 30 BDEDHN C#CCCOC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000859015175 588991202 /nfs/dbraw/zinc/99/12/02/588991202.db2.gz TTWKFYZIBCDPFI-NEPJUHHUSA-N 0 3 238.331 1.561 20 30 BDEDHN C=CC[C@@H]1CCCN(CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902311188 584554909 /nfs/dbraw/zinc/55/49/09/584554909.db2.gz CKMUOSHPMGUSGE-AGIUHOORSA-N 0 3 234.343 1.710 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(c2ncc[nH]2)CC1 ZINC000801926567 584653493 /nfs/dbraw/zinc/65/34/93/584653493.db2.gz SRWXNASXACSFOS-NSHDSACASA-N 0 3 248.330 1.518 20 30 BDEDHN CCN(CC)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902722202 584660448 /nfs/dbraw/zinc/66/04/48/584660448.db2.gz BPQDLANKFVGQLG-GFCCVEGCSA-N 0 3 246.358 1.946 20 30 BDEDHN C[C@H](NCCn1ccnc1)c1cc(C#N)ccn1 ZINC000902724743 584661041 /nfs/dbraw/zinc/66/10/41/584661041.db2.gz ICCCMYGDVXQIBQ-NSHDSACASA-N 0 3 241.298 1.501 20 30 BDEDHN C[C@H](NCC1(CO)CC1)c1cc(C#N)ccn1 ZINC000902829714 584677483 /nfs/dbraw/zinc/67/74/83/584677483.db2.gz FFZRBNVMJRXICJ-JTQLQIEISA-N 0 3 231.299 1.376 20 30 BDEDHN C[C@@H](N[C@@H](C)CCO)c1cc(C#N)ccn1 ZINC000902812242 584677813 /nfs/dbraw/zinc/67/78/13/584677813.db2.gz QBSSUMADPMPOAR-VHSXEESVSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@H](CCO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902812240 584677967 /nfs/dbraw/zinc/67/79/67/584677967.db2.gz QBSSUMADPMPOAR-NXEZZACHSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@H](NCCCOCCO)c1cc(C#N)ccn1 ZINC000902944924 584696360 /nfs/dbraw/zinc/69/63/60/584696360.db2.gz OEMAQKFQBOTTPT-NSHDSACASA-N 0 3 249.314 1.003 20 30 BDEDHN C[C@H](NCCC1(CO)CC1)c1cc(C#N)ccn1 ZINC000903011452 584717230 /nfs/dbraw/zinc/71/72/30/584717230.db2.gz XYSBRLNWNYCNEV-NSHDSACASA-N 0 3 245.326 1.766 20 30 BDEDHN C[C@@H](NCCC1(CO)CC1)c1cc(C#N)ccn1 ZINC000903011451 584717544 /nfs/dbraw/zinc/71/75/44/584717544.db2.gz XYSBRLNWNYCNEV-LLVKDONJSA-N 0 3 245.326 1.766 20 30 BDEDHN COC[C@@H](NCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000903101908 584727727 /nfs/dbraw/zinc/72/77/27/584727727.db2.gz PINBXWNXTADMCQ-VXGBXAGGSA-N 0 3 240.347 1.567 20 30 BDEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1cc(C#N)ccn1 ZINC000903297600 584743280 /nfs/dbraw/zinc/74/32/80/584743280.db2.gz HPBJGHJNTDRGEQ-LOWVWBTDSA-N 0 3 244.342 1.696 20 30 BDEDHN C[C@@H](NC[C@H]1CCN1C)c1cc(C#N)ccn1 ZINC000903316366 584749606 /nfs/dbraw/zinc/74/96/06/584749606.db2.gz OHGNFRKYOFUATM-ZYHUDNBSSA-N 0 3 230.315 1.308 20 30 BDEDHN C#CCCOC(=O)N1CCCN(C)C[C@H]1CC ZINC000859145981 589009274 /nfs/dbraw/zinc/00/92/74/589009274.db2.gz QRFLYKBRZPMWRE-GFCCVEGCSA-N 0 3 238.331 1.562 20 30 BDEDHN C=CCCc1noc(C[C@H]2CCN(C)C2)n1 ZINC000904083004 584840077 /nfs/dbraw/zinc/84/00/77/584840077.db2.gz CNIYQLBIMVNZFO-SNVBAGLBSA-N 0 3 221.304 1.682 20 30 BDEDHN CC(C)c1noc(C2CC3(C2)CNC[C@@H]3C#N)n1 ZINC000904080007 584840152 /nfs/dbraw/zinc/84/01/52/584840152.db2.gz TWRIBNHAWMSGJP-QUNCOHTASA-N 0 3 246.314 1.800 20 30 BDEDHN C[C@H]1C[C@H](O)CN1Cc1ccc(OCC#N)cc1 ZINC000761110916 584910338 /nfs/dbraw/zinc/91/03/38/584910338.db2.gz AGKMYLFBWDBFSR-AAEUAGOBSA-N 0 3 246.310 1.544 20 30 BDEDHN Nc1ccc2c(c1)CCC2=NN[C@H]1CCCOC1 ZINC000834971250 584916272 /nfs/dbraw/zinc/91/62/72/584916272.db2.gz CHXONJHRKBMJTM-LBPRGKRZSA-N 0 3 245.326 1.688 20 30 BDEDHN C(ON=C1CN2CCC1CC2)[C@@H]1CCOC1 ZINC000788032350 584921499 /nfs/dbraw/zinc/92/14/99/584921499.db2.gz RWOKCHZOJMUELS-SNVBAGLBSA-N 0 3 224.304 1.121 20 30 BDEDHN C(ON=C1CCN2CCC[C@@H]12)[C@H]1CCOC1 ZINC000788034109 584924727 /nfs/dbraw/zinc/92/47/27/584924727.db2.gz NVZAKRQHPLZTKR-JQWIXIFHSA-N 0 3 224.304 1.264 20 30 BDEDHN Cc1cc2c(cc1C)C(=NNC(=N)N)CCCO2 ZINC000733743518 584953167 /nfs/dbraw/zinc/95/31/67/584953167.db2.gz WOIBLKUJQBZCSI-UHFFFAOYSA-N 0 3 246.314 1.663 20 30 BDEDHN CC(C)[C@H]1CCCCN1CC(=O)NCCC#N ZINC000735311815 584975505 /nfs/dbraw/zinc/97/55/05/584975505.db2.gz UCXSJQMJFNAXQY-GFCCVEGCSA-N 0 3 237.347 1.527 20 30 BDEDHN C=CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413096 584976359 /nfs/dbraw/zinc/97/63/59/584976359.db2.gz OIHCEASABOEUKK-UHFFFAOYSA-N 0 3 243.314 1.875 20 30 BDEDHN C=CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413096 584976360 /nfs/dbraw/zinc/97/63/60/584976360.db2.gz OIHCEASABOEUKK-UHFFFAOYSA-N 0 3 243.314 1.875 20 30 BDEDHN C=CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413096 584976361 /nfs/dbraw/zinc/97/63/61/584976361.db2.gz OIHCEASABOEUKK-UHFFFAOYSA-N 0 3 243.314 1.875 20 30 BDEDHN C=CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413096 584976362 /nfs/dbraw/zinc/97/63/62/584976362.db2.gz OIHCEASABOEUKK-UHFFFAOYSA-N 0 3 243.314 1.875 20 30 BDEDHN C=CCC(=NNC(=N)N)c1ccc(F)cc1 ZINC000735609214 584980235 /nfs/dbraw/zinc/98/02/35/584980235.db2.gz QCBJZCKTMGVIME-UHFFFAOYSA-N 0 3 220.251 1.589 20 30 BDEDHN C=CCCCN(C)C(=S)NCCN(C)C ZINC000736449869 585003116 /nfs/dbraw/zinc/00/31/16/585003116.db2.gz DKGAGCUJTVALJP-UHFFFAOYSA-N 0 3 229.393 1.321 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000736668865 585008985 /nfs/dbraw/zinc/00/89/85/585008985.db2.gz JJZOEPRZEQIACN-LDYMZIIASA-N 0 3 236.246 1.135 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)COc1ccccc1 ZINC000736673145 585009393 /nfs/dbraw/zinc/00/93/93/585009393.db2.gz QFKCUHUEIDUWKM-GHMZBOCLSA-N 0 3 232.283 1.730 20 30 BDEDHN C=CCONC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000838712396 585066868 /nfs/dbraw/zinc/06/68/68/585066868.db2.gz PIDIVHHBUFAUBR-JTQLQIEISA-N 0 3 239.319 1.054 20 30 BDEDHN C#CCCN1CCC(NC(=O)/C(C)=C\CC)CC1 ZINC000740736560 585106107 /nfs/dbraw/zinc/10/61/07/585106107.db2.gz ZSSDCFCWGSJYDA-QPEQYQDCSA-N 0 3 248.370 1.947 20 30 BDEDHN C[C@H]1CCC[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000741792984 585119170 /nfs/dbraw/zinc/11/91/70/585119170.db2.gz FJUISGNIURGUHT-RYUDHWBXSA-N 0 3 237.347 1.527 20 30 BDEDHN C#CCNC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000741794475 585119361 /nfs/dbraw/zinc/11/93/61/585119361.db2.gz UTMFTWMCITXSOO-VXGBXAGGSA-N 0 3 222.332 1.246 20 30 BDEDHN C=CCCC(=O)NCCN1CCC[C@@H]1C ZINC000742241752 585124225 /nfs/dbraw/zinc/12/42/25/585124225.db2.gz RKIOSPMZNZYURL-NSHDSACASA-N 0 3 210.321 1.553 20 30 BDEDHN COc1ccc(CN[C@@H](CO)C2CC2)cc1C#N ZINC000742371443 585125110 /nfs/dbraw/zinc/12/51/10/585125110.db2.gz XQIJYNNGDJALHM-ZDUSSCGKSA-N 0 3 246.310 1.427 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)CO)cc1 ZINC000742382735 585125290 /nfs/dbraw/zinc/12/52/90/585125290.db2.gz IQIRRJCNQMAHRK-WDEREUQCSA-N 0 3 234.299 1.448 20 30 BDEDHN C[C@H]1CCCN1CCNc1ccc(C#N)cn1 ZINC000742424723 585125987 /nfs/dbraw/zinc/12/59/87/585125987.db2.gz CFYHMPXOQFIWJM-NSHDSACASA-N 0 3 230.315 1.849 20 30 BDEDHN C[C@H]1CC[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000743873565 585141763 /nfs/dbraw/zinc/14/17/63/585141763.db2.gz QCFGTPIRTYGRAU-QWRGUYRKSA-N 0 3 223.320 1.137 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744036386 585142063 /nfs/dbraw/zinc/14/20/63/585142063.db2.gz ZMUJJDFMYLOPBU-BDAKNGLRSA-N 0 3 234.255 1.146 20 30 BDEDHN CCN(CCC(=O)NC)Cc1ccc(C#N)cc1 ZINC000746139071 585163630 /nfs/dbraw/zinc/16/36/30/585163630.db2.gz FUNBKWVMGKUGPY-UHFFFAOYSA-N 0 3 245.326 1.516 20 30 BDEDHN CO[C@@]1(C)CC(=Nn2cnnc2)C1(C)C ZINC000746559925 585170145 /nfs/dbraw/zinc/17/01/45/585170145.db2.gz ZDOVKOYSWWYWAI-JTQLQIEISA-N 0 3 208.265 1.317 20 30 BDEDHN CCN(CCC(N)=O)Cc1ccc(C#N)cc1 ZINC000746652940 585171404 /nfs/dbraw/zinc/17/14/04/585171404.db2.gz RHNZNRNFZLCINF-UHFFFAOYSA-N 0 3 231.299 1.256 20 30 BDEDHN CSCC(=NNC(=N)N)c1ccccc1 ZINC000749444301 585202314 /nfs/dbraw/zinc/20/23/14/585202314.db2.gz UORYVGYEHLRDEF-UHFFFAOYSA-N 0 3 222.317 1.237 20 30 BDEDHN C=CCN1CCC(N(C)CC(F)F)CC1 ZINC000749846148 585207214 /nfs/dbraw/zinc/20/72/14/585207214.db2.gz WHMLFSHMANDABN-UHFFFAOYSA-N 0 3 218.291 1.834 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000751964404 585240006 /nfs/dbraw/zinc/24/00/06/585240006.db2.gz XQSIKVQSFDPXQX-GFCCVEGCSA-N 0 3 248.330 1.202 20 30 BDEDHN Cc1cc(N)cc(C)c1C=NNC1CCOCC1 ZINC000752733397 585249293 /nfs/dbraw/zinc/24/92/93/585249293.db2.gz IKTZMIBZBJPRCJ-UHFFFAOYSA-N 0 3 247.342 1.988 20 30 BDEDHN C#CCOCCN[C@@H](C)c1ccccc1OC ZINC000753761460 585268185 /nfs/dbraw/zinc/26/81/85/585268185.db2.gz MSXIYDAXOAHVRR-LBPRGKRZSA-N 0 3 233.311 1.996 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccs1 ZINC000753935281 585272337 /nfs/dbraw/zinc/27/23/37/585272337.db2.gz MXKIMSGQOAOJOR-PHIMTYICSA-N 0 3 248.355 1.942 20 30 BDEDHN Cn1ccc(C=NNC2=N[C@H]3CCCC[C@H]3N2)c1 ZINC000753936334 585272442 /nfs/dbraw/zinc/27/24/42/585272442.db2.gz RUQXZBXLKZKONR-TXEJJXNPSA-N 0 3 245.330 1.219 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccco1 ZINC000753941035 585272604 /nfs/dbraw/zinc/27/26/04/585272604.db2.gz WHMNGSJCVDFQMW-GHMZBOCLSA-N 0 3 232.287 1.474 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc[nH]1 ZINC000753941449 585272677 /nfs/dbraw/zinc/27/26/77/585272677.db2.gz ZCOLAXRWXBEYFP-GHMZBOCLSA-N 0 3 231.303 1.209 20 30 BDEDHN C#CC(=O)NC[C@H]1CCCCN1CCCC ZINC000754000740 585274954 /nfs/dbraw/zinc/27/49/54/585274954.db2.gz SWXCKHSNLWKDPT-GFCCVEGCSA-N 0 3 222.332 1.390 20 30 BDEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000754186003 585279860 /nfs/dbraw/zinc/27/98/60/585279860.db2.gz XBCKLXLCOKDKOV-CHWSQXEVSA-N 0 3 244.338 1.518 20 30 BDEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccccn1 ZINC000755882264 585309160 /nfs/dbraw/zinc/30/91/60/585309160.db2.gz ZVRVQYMLHLZJTI-JTQLQIEISA-N 0 3 230.315 1.964 20 30 BDEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccccn1 ZINC000755882265 585309314 /nfs/dbraw/zinc/30/93/14/585309314.db2.gz ZVRVQYMLHLZJTI-SNVBAGLBSA-N 0 3 230.315 1.964 20 30 BDEDHN C=C[C@@H](C)NC(=O)NC[C@@H](C)N1CCCCC1 ZINC000756971228 585326014 /nfs/dbraw/zinc/32/60/14/585326014.db2.gz SXXBZZFSZDFTJD-VXGBXAGGSA-N 0 3 239.363 1.735 20 30 BDEDHN C#C[C@H](N[C@H](C)CCC#N)[C@H]1CCCO1 ZINC000839564929 585330421 /nfs/dbraw/zinc/33/04/21/585330421.db2.gz SXFYOTUZPXMCCT-GRYCIOLGSA-N 0 3 206.289 1.449 20 30 BDEDHN C=C(Cl)CN1CCC[C@@]1(CC)CO ZINC000839575035 585330507 /nfs/dbraw/zinc/33/05/07/585330507.db2.gz QKFJPGLCQFVYJL-JTQLQIEISA-N 0 3 203.713 1.976 20 30 BDEDHN C=C(Cl)CN(C)CCN(C)C1CC1 ZINC000839559917 585331208 /nfs/dbraw/zinc/33/12/08/585331208.db2.gz KNTVVQJTPDZORH-UHFFFAOYSA-N 0 3 202.729 1.765 20 30 BDEDHN C#CCCCC(=O)N(C)C1CCN(CC)CC1 ZINC000760238407 585387151 /nfs/dbraw/zinc/38/71/51/585387151.db2.gz OULKLUDDSBUHOP-UHFFFAOYSA-N 0 3 236.359 1.733 20 30 BDEDHN CCC1(C(=O)C(C#N)c2ccncn2)COC1 ZINC000760343016 585390657 /nfs/dbraw/zinc/39/06/57/585390657.db2.gz ZXJGZAYSZGAJTK-SECBINFHSA-N 0 3 231.255 1.079 20 30 BDEDHN C#CCCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000760431038 585392516 /nfs/dbraw/zinc/39/25/16/585392516.db2.gz FLDYDOJIWATOKC-WCQYABFASA-N 0 3 234.343 1.389 20 30 BDEDHN C#CCCN1CCC(NC(=O)C2(C)CC2)CC1 ZINC000760631569 585394913 /nfs/dbraw/zinc/39/49/13/585394913.db2.gz VTIFDOSEYWGLLR-UHFFFAOYSA-N 0 3 234.343 1.390 20 30 BDEDHN C#CCCN1CCC(NC(=O)C2=CCCC2)CC1 ZINC000760630052 585394982 /nfs/dbraw/zinc/39/49/82/585394982.db2.gz KMNMWSDCNCDFRY-UHFFFAOYSA-N 0 3 246.354 1.701 20 30 BDEDHN C#CCCN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000760842590 585399460 /nfs/dbraw/zinc/39/94/60/585399460.db2.gz AWNJACCBDDVGEL-LLVKDONJSA-N 0 3 223.316 1.673 20 30 BDEDHN C#CCCN1CCC[C@@H](OCCOC)C1 ZINC000760965317 585402702 /nfs/dbraw/zinc/40/27/02/585402702.db2.gz ICPRKJOSKULKNL-GFCCVEGCSA-N 0 3 211.305 1.137 20 30 BDEDHN C#CCCc1noc([C@H]2CCN(C)C2)n1 ZINC000762016279 585424235 /nfs/dbraw/zinc/42/42/35/585424235.db2.gz KUTMTXIADQIHSR-VIFPVBQESA-N 0 3 205.261 1.055 20 30 BDEDHN C=C(C)CN(CC)C(=O)C1(N(C)C)CCC1 ZINC000763004658 585441038 /nfs/dbraw/zinc/44/10/38/585441038.db2.gz VAQQDQFJMAIYHV-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN COc1ccc2c(c1)C(=NNC(=N)N)CCCO2 ZINC000763105690 585443334 /nfs/dbraw/zinc/44/33/34/585443334.db2.gz SBBQUVJHLFBPDE-UHFFFAOYSA-N 0 3 248.286 1.055 20 30 BDEDHN N=C(N)NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000763355185 585446803 /nfs/dbraw/zinc/44/68/03/585446803.db2.gz YSFYNXFCZGBXSF-VIFPVBQESA-N 0 3 228.299 1.697 20 30 BDEDHN C=C(C)CN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763759483 585454103 /nfs/dbraw/zinc/45/41/03/585454103.db2.gz KJPTXTYRPBQGLI-SNVBAGLBSA-N 0 3 209.289 1.590 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000763876139 585455863 /nfs/dbraw/zinc/45/58/63/585455863.db2.gz TVDPMQHDBJYQIA-GFCCVEGCSA-N 0 3 232.327 1.982 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCc2ccccc2C1 ZINC000763875419 585455896 /nfs/dbraw/zinc/45/58/96/585455896.db2.gz NQFDRSFWSLETTG-UHFFFAOYSA-N 0 3 244.338 1.689 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cccc(OC)c1 ZINC000763921293 585457161 /nfs/dbraw/zinc/45/71/61/585457161.db2.gz DGCJOBGUZKTCIC-UHFFFAOYSA-N 0 3 248.326 1.429 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccco1 ZINC000763934315 585457455 /nfs/dbraw/zinc/45/74/55/585457455.db2.gz YOLGDBUJCLVOMN-UHFFFAOYSA-N 0 3 222.288 1.356 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1cc(C)on1 ZINC000764218454 585461722 /nfs/dbraw/zinc/46/17/22/585461722.db2.gz QYJQDIYXOXDBGQ-UHFFFAOYSA-N 0 3 237.303 1.059 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@@H](CC)C1 ZINC000764253391 585462969 /nfs/dbraw/zinc/46/29/69/585462969.db2.gz NDPMLTWSJHBVMH-GFCCVEGCSA-N 0 3 224.348 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC(CC)CC ZINC000764507067 585467022 /nfs/dbraw/zinc/46/70/22/585467022.db2.gz GEVOSEVAZWIHFK-UHFFFAOYSA-N 0 3 212.337 1.657 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC(C)(C)C1 ZINC000764578337 585468132 /nfs/dbraw/zinc/46/81/32/585468132.db2.gz SCUXRXGHMYLHME-UHFFFAOYSA-N 0 3 210.321 1.363 20 30 BDEDHN CC#CC(=O)N(C)[C@H]1CCN(CC)C[C@H]1C ZINC000764571228 585468229 /nfs/dbraw/zinc/46/82/29/585468229.db2.gz KLRKNMUDTWEGGH-NEPJUHHUSA-N 0 3 222.332 1.198 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000764613551 585469207 /nfs/dbraw/zinc/46/92/07/585469207.db2.gz PWHGGWWYKCNCAG-CHWSQXEVSA-N 0 3 236.359 1.753 20 30 BDEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764803651 585474464 /nfs/dbraw/zinc/47/44/64/585474464.db2.gz FFNWQDVNPPOQKX-DGCLKSJQSA-N 0 3 249.358 1.324 20 30 BDEDHN COc1ccnc(N=NC2CCN3CCC[C@H]23)n1 ZINC000765570959 585489965 /nfs/dbraw/zinc/48/99/65/585489965.db2.gz ARYVOTNVLFSGBY-SNVBAGLBSA-N 0 3 247.302 1.121 20 30 BDEDHN C1C[C@H]2C(=NO[C@@H]3CCCCO3)CCN2C1 ZINC000765585107 585490585 /nfs/dbraw/zinc/49/05/85/585490585.db2.gz WWRQOTGXKWJFBC-NWDGAFQWSA-N 0 3 224.304 1.754 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C ZINC000765589037 585490644 /nfs/dbraw/zinc/49/06/44/585490644.db2.gz ULGSWRCBAVWLGA-QWRGUYRKSA-N 0 3 236.315 1.680 20 30 BDEDHN CN(C)Cc1ccc(CN(C)CC#N)cc1 ZINC000768416386 585538175 /nfs/dbraw/zinc/53/81/75/585538175.db2.gz GFYFXNOYXJKKQY-UHFFFAOYSA-N 0 3 217.316 1.704 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769290398 585552627 /nfs/dbraw/zinc/55/26/27/585552627.db2.gz CNSQWSKXJHMIAU-UWVGGRQHSA-N 0 3 234.230 1.152 20 30 BDEDHN C#C[C@H](C)N(C)Cc1ccc(OCC(N)=O)cc1 ZINC000769962203 585567469 /nfs/dbraw/zinc/56/74/69/585567469.db2.gz CCXFDCKYJQTLGT-NSHDSACASA-N 0 3 246.310 1.004 20 30 BDEDHN CO[C@H](C(=O)C(C#N)c1ccncn1)C(C)C ZINC000770917638 585584110 /nfs/dbraw/zinc/58/41/10/585584110.db2.gz KIYJMJBZXDNZCO-CABZTGNLSA-N 0 3 233.271 1.324 20 30 BDEDHN C#CCCCCCC(=O)N[C@@H](C)CN(C)C ZINC000805429294 585592634 /nfs/dbraw/zinc/59/26/34/585592634.db2.gz BQEAXCSYVOTWQU-LBPRGKRZSA-N 0 3 224.348 1.636 20 30 BDEDHN CCON=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771550425 585595975 /nfs/dbraw/zinc/59/59/75/585595975.db2.gz JCQTZRKJKHKLSP-UHFFFAOYSA-N 0 3 247.342 1.809 20 30 BDEDHN N#Cc1cc(CN[C@H](CO)C2CC2)ccc1F ZINC000771800810 585600495 /nfs/dbraw/zinc/60/04/95/585600495.db2.gz GDZJFRBBONRACK-CYBMUJFWSA-N 0 3 234.274 1.558 20 30 BDEDHN C=CCCC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772526765 585616956 /nfs/dbraw/zinc/61/69/56/585616956.db2.gz OJVASJBVUGMBLK-WDEREUQCSA-N 0 3 239.315 1.753 20 30 BDEDHN C=CCCC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772526764 585617001 /nfs/dbraw/zinc/61/70/01/585617001.db2.gz OJVASJBVUGMBLK-QWRGUYRKSA-N 0 3 239.315 1.753 20 30 BDEDHN N#Cc1ccc(CN[C@H](CO)C2CC2)c(F)c1 ZINC000772920507 585627443 /nfs/dbraw/zinc/62/74/43/585627443.db2.gz GMDWPNLDLMXTBK-CYBMUJFWSA-N 0 3 234.274 1.558 20 30 BDEDHN C=C(CC)CN(C)[C@@H]1CCCCNC1=O ZINC000773429441 585636708 /nfs/dbraw/zinc/63/67/08/585636708.db2.gz UBXUKYDKNZWSDW-LLVKDONJSA-N 0 3 210.321 1.553 20 30 BDEDHN C#C[C@H](C)NC(=O)NCCN(C)CCCC ZINC000773592270 585641216 /nfs/dbraw/zinc/64/12/16/585641216.db2.gz ZPCNHSKSNUZNBS-NSHDSACASA-N 0 3 225.336 1.039 20 30 BDEDHN C#C[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000773595942 585641413 /nfs/dbraw/zinc/64/14/13/585641413.db2.gz HXIDPRLPUWVMEP-STQMWFEESA-N 0 3 249.358 1.278 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000773980232 585647646 /nfs/dbraw/zinc/64/76/46/585647646.db2.gz PDNOTVYRFYNIOY-HBNTYKKESA-N 0 3 234.299 1.290 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000773980233 585647703 /nfs/dbraw/zinc/64/77/03/585647703.db2.gz PDNOTVYRFYNIOY-OUAUKWLOSA-N 0 3 234.299 1.290 20 30 BDEDHN C#CCCCCC(=O)NCCNc1ccncc1 ZINC000774276711 585655745 /nfs/dbraw/zinc/65/57/45/585655745.db2.gz OQLWSXRRCKSDAM-UHFFFAOYSA-N 0 3 245.326 1.225 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCO1 ZINC000774365007 585656932 /nfs/dbraw/zinc/65/69/32/585656932.db2.gz VZPFTBKUJRQFSE-RFQIPJPRSA-N 0 3 232.327 1.839 20 30 BDEDHN C#C[C@H](C)N(C)Cc1cc(OC)ccc1O ZINC000775184050 585672940 /nfs/dbraw/zinc/67/29/40/585672940.db2.gz UHDNXCZRGRVULH-JTQLQIEISA-N 0 3 219.284 1.854 20 30 BDEDHN C#C[C@@H](NCc1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000775343306 585676289 /nfs/dbraw/zinc/67/62/89/585676289.db2.gz VZPROTGSQRNXSS-HIFRSBDPSA-N 0 3 245.322 1.971 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000775385207 585676919 /nfs/dbraw/zinc/67/69/19/585676919.db2.gz YQBJQUOCNZQVJU-CHWSQXEVSA-N 0 3 236.359 1.635 20 30 BDEDHN C#C[C@H](NCCc1cccnc1)[C@H]1CCCO1 ZINC000775787967 585684885 /nfs/dbraw/zinc/68/48/85/585684885.db2.gz CAYXUPAWPPLCHZ-UONOGXRCSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@@H](NCCCCCCCO)[C@@H]1CCCO1 ZINC000775797223 585685060 /nfs/dbraw/zinc/68/50/60/585685060.db2.gz BXYMPMQXVNTIIC-KGLIPLIRSA-N 0 3 239.359 1.700 20 30 BDEDHN C=CCN(CCN1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000775940730 585688230 /nfs/dbraw/zinc/68/82/30/585688230.db2.gz DYVKWRBWMOLSHY-OKILXGFUSA-N 0 3 238.375 1.746 20 30 BDEDHN C#C[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000776478242 585699355 /nfs/dbraw/zinc/69/93/55/585699355.db2.gz RMPAWFCAANTVCA-NEPJUHHUSA-N 0 3 237.347 1.039 20 30 BDEDHN C#CCCN1CCN(CC2CCC2)CC1 ZINC000776595360 585702288 /nfs/dbraw/zinc/70/22/88/585702288.db2.gz KRZYXMVZZSLKDQ-UHFFFAOYSA-N 0 3 206.333 1.427 20 30 BDEDHN Cc1cc2c(cc1C)C(=NNC(=N)N)CCS2 ZINC000777432621 585712027 /nfs/dbraw/zinc/71/20/27/585712027.db2.gz XDLGKTUETKELKX-UHFFFAOYSA-N 0 3 248.355 1.986 20 30 BDEDHN COC[C@@H](C)N=NC1CN(C(C)C)C[C@@H]1C ZINC000777903585 585723504 /nfs/dbraw/zinc/72/35/04/585723504.db2.gz UUONVDQNZVJJJU-WDEREUQCSA-N 0 3 227.352 1.327 20 30 BDEDHN C#CCNC(=O)CN1CCC(C)(C(C)C)CC1 ZINC000778219169 585727822 /nfs/dbraw/zinc/72/78/22/585727822.db2.gz XAECGWMWJNONKS-UHFFFAOYSA-N 0 3 236.359 1.494 20 30 BDEDHN O=C(NO)C1CCN(Cc2ccccc2)CC1 ZINC000782172822 585809575 /nfs/dbraw/zinc/80/95/75/585809575.db2.gz BQLLTRZEVYBMJR-UHFFFAOYSA-N 0 3 234.299 1.404 20 30 BDEDHN N=C(N)NN=Cc1cccc2cnccc12 ZINC000782899660 585825762 /nfs/dbraw/zinc/82/57/62/585825762.db2.gz CHLGZWLZDPNZOS-UHFFFAOYSA-N 0 3 213.244 1.052 20 30 BDEDHN C[C@H](C[C@@H]1CCOC1)NCc1ccc(C#N)cn1 ZINC000783293589 585833409 /nfs/dbraw/zinc/83/34/09/585833409.db2.gz IXZNCOWZRLFQSY-NEPJUHHUSA-N 0 3 245.326 1.858 20 30 BDEDHN CC(C)(C)[C@H]1CCN(CC(=O)NCCC#N)C1 ZINC000784517752 585861909 /nfs/dbraw/zinc/86/19/09/585861909.db2.gz TZEJBLSAIDTKBK-NSHDSACASA-N 0 3 237.347 1.384 20 30 BDEDHN C#CCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000786441544 585891674 /nfs/dbraw/zinc/89/16/74/585891674.db2.gz BPIFDHGKRIFHKY-AVGNSLFASA-N 0 3 235.327 1.673 20 30 BDEDHN C#CCN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786782606 585897230 /nfs/dbraw/zinc/89/72/30/585897230.db2.gz HUMJDUGIVCXSIJ-LLVKDONJSA-N 0 3 243.310 1.500 20 30 BDEDHN CC[C@H](NC(=O)C(C#N)C(C)=O)c1ccccc1 ZINC000787034552 585900124 /nfs/dbraw/zinc/90/01/24/585900124.db2.gz AGOOLOJPOGAWGW-OLZOCXBDSA-N 0 3 244.294 1.983 20 30 BDEDHN C#CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000787398514 585908813 /nfs/dbraw/zinc/90/88/13/585908813.db2.gz XZNHVHZIXAHYOB-GFCCVEGCSA-N 0 3 220.316 1.143 20 30 BDEDHN CC(=NN[C@H]1CCOC1)c1ccccc1N(C)C ZINC000788445828 585924153 /nfs/dbraw/zinc/92/41/53/585924153.db2.gz JNWYJUKMBRIYNZ-LBPRGKRZSA-N 0 3 247.342 1.855 20 30 BDEDHN CC1(C)C(N=NC(=N)N)C[C@H]1Oc1ccccc1 ZINC000788991259 585932934 /nfs/dbraw/zinc/93/29/34/585932934.db2.gz IVIYMZQJZBDJCH-LLVKDONJSA-N 0 3 246.314 1.703 20 30 BDEDHN Cn1ccnc1N=NC1CCN2CCC[C@H]12 ZINC000790301513 585963158 /nfs/dbraw/zinc/96/31/58/585963158.db2.gz FBBWVRPWQDNUED-SNVBAGLBSA-N 0 3 219.292 1.056 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000791365616 585979180 /nfs/dbraw/zinc/97/91/80/585979180.db2.gz ZECBMTZQNJERMB-NSHDSACASA-N 0 3 242.363 1.018 20 30 BDEDHN C[C@@H]1CC(N=Nc2ncncc2F)CCN1C ZINC000793214702 586014220 /nfs/dbraw/zinc/01/42/20/586014220.db2.gz OERUDYXUYGTZHP-MRVPVSSYSA-N 0 3 237.282 1.498 20 30 BDEDHN C=C(C)COCCN[C@H](C)c1cc(C)nn1C ZINC000793547542 586022529 /nfs/dbraw/zinc/02/25/29/586022529.db2.gz JHVMZCQCRUNNPC-GFCCVEGCSA-N 0 3 237.347 1.972 20 30 BDEDHN CSCCON=C1CCN(C)[C@@H](C)C1 ZINC000794572836 586044187 /nfs/dbraw/zinc/04/41/87/586044187.db2.gz ZKSDCKKCNPHBPJ-VIFPVBQESA-N 0 3 216.350 1.836 20 30 BDEDHN CCN(CC)CCOC(=O)c1ccnc(C#N)c1 ZINC000795975658 586095288 /nfs/dbraw/zinc/09/52/88/586095288.db2.gz KWTHDVHZBUVJMA-UHFFFAOYSA-N 0 3 247.298 1.452 20 30 BDEDHN C#C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)C ZINC000799042152 586155146 /nfs/dbraw/zinc/15/51/46/586155146.db2.gz PGAOVKMSLABUET-LLVKDONJSA-N 0 3 222.332 1.245 20 30 BDEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2ccccn2)C1 ZINC000799197797 586167588 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BYCZZZFKLNTWND-TXEJJXNPSA-N 0 3 215.337 1.384 20 30 BDEDHN C=CC[C@@H](CO)CNCc1ccnc(F)c1C ZINC000862292914 589199914 /nfs/dbraw/zinc/19/99/14/589199914.db2.gz ZWSLCJSIUIUKCI-LLVKDONJSA-N 0 3 238.306 1.803 20 30 BDEDHN CCCCCCCNC(=O)C(C)S(C)(=O)=O ZINC000862360368 589203539 /nfs/dbraw/zinc/20/35/39/589203539.db2.gz HTNKQMYRRWMYFZ-JTQLQIEISA-N 0 3 249.376 1.506 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2cc(C(N)=O)cs2)C1 ZINC000862444581 589213983 /nfs/dbraw/zinc/21/39/83/589213983.db2.gz CKWACFDIDYHRQR-SNVBAGLBSA-N 0 3 248.351 1.692 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000862444896 589214467 /nfs/dbraw/zinc/21/44/67/589214467.db2.gz IHTOYUPQLPBMQU-LLVKDONJSA-N 0 3 246.310 1.647 20 30 BDEDHN C#CC[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000862445526 589214725 /nfs/dbraw/zinc/21/47/25/589214725.db2.gz WJISOSWPRNROMS-GFCCVEGCSA-N 0 3 242.322 1.631 20 30 BDEDHN C#CC[C@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000862447772 589215244 /nfs/dbraw/zinc/21/52/44/589215244.db2.gz QOZMXCUJGVSYQP-LBPRGKRZSA-N 0 3 229.327 1.675 20 30 BDEDHN C#Cc1ccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC000862545798 589219506 /nfs/dbraw/zinc/21/95/06/589219506.db2.gz CFCPSDHEWGRKDX-KBPBESRZSA-N 0 3 241.290 1.273 20 30 BDEDHN C=CC[C@H]1CCN(C(=O)C(=C)CN(C)C)C1 ZINC000862545526 589219539 /nfs/dbraw/zinc/21/95/39/589219539.db2.gz WDAOEFNDBBDJAE-LBPRGKRZSA-N 0 3 222.332 1.529 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000862567659 589223381 /nfs/dbraw/zinc/22/33/81/589223381.db2.gz KAFVPGIZZDYLEV-MGPQQGTHSA-N 0 3 248.370 1.731 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000862568647 589223549 /nfs/dbraw/zinc/22/35/49/589223549.db2.gz FGGGNMVLWWKZMQ-AWEZNQCLSA-N 0 3 248.370 1.590 20 30 BDEDHN CCC(=NNC(=N)N)c1cc(C)ccc1C ZINC000863079727 589254708 /nfs/dbraw/zinc/25/47/08/589254708.db2.gz YFWLNFGTKJYCKB-UHFFFAOYSA-N 0 3 218.304 1.901 20 30 BDEDHN CCC(=NNCC(C)(C)CO)c1ccc(N)cc1 ZINC000863111001 589257702 /nfs/dbraw/zinc/25/77/02/589257702.db2.gz KJYXNKHCAWCIFA-UHFFFAOYSA-N 0 3 249.358 1.991 20 30 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CN(C)c1ccc(C#N)cc1CN[C@@H]1CCOC1 ZINC000865507603 589442449 /nfs/dbraw/zinc/44/24/49/589442449.db2.gz BNXPXPXRWQXLOL-CYBMUJFWSA-N 0 3 245.326 1.503 20 30 BDEDHN CN(CCN(C)C1CC1)C(=O)c1coc(C#N)c1 ZINC000867476293 589522030 /nfs/dbraw/zinc/52/20/30/589522030.db2.gz XELDEOXCXNCWAF-UHFFFAOYSA-N 0 3 247.298 1.317 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121803496 589533646 /nfs/dbraw/zinc/53/36/46/589533646.db2.gz LTFJBZZNZIPGPS-APPZFPTMSA-N 0 3 236.296 1.306 20 30 BDEDHN C#C[C@@H](C)NCc1ccc(-n2ccnc2)cc1 ZINC000123085314 589661084 /nfs/dbraw/zinc/66/10/84/589661084.db2.gz CAFDLOPGNGLWEV-GFCCVEGCSA-N 0 3 225.295 1.984 20 30 BDEDHN C=CCCO[C@@H](C)C(=O)O[C@H](CC)CN(C)C ZINC000870550138 589674528 /nfs/dbraw/zinc/67/45/28/589674528.db2.gz DAMWUQGQUQAJKH-NWDGAFQWSA-N 0 3 243.347 1.851 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC[C@H]1CCCS1 ZINC000871036140 589717106 /nfs/dbraw/zinc/71/71/06/589717106.db2.gz WKCRIOMALXRFNQ-LLVKDONJSA-N 0 3 242.388 1.506 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000871906339 589831624 /nfs/dbraw/zinc/83/16/24/589831624.db2.gz KWHGUIUOYLYEPJ-WFQJECDVSA-N 0 3 245.326 1.443 20 30 BDEDHN CC(C#N)C(=O)N1CCN(C)c2ncccc2C1 ZINC000872305477 589907956 /nfs/dbraw/zinc/90/79/56/589907956.db2.gz KVSXJXLNPPOZRI-SNVBAGLBSA-N 0 3 244.298 1.020 20 30 BDEDHN C[C@@H]1CN=C(NN=CC(F)(F)C(F)(F)F)N1 ZINC000872364932 589920342 /nfs/dbraw/zinc/92/03/42/589920342.db2.gz XILMNAFTLIXULJ-SCSAIBSYSA-N 0 3 244.167 1.107 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2n[nH]cc2C)CC1 ZINC000873198185 589992322 /nfs/dbraw/zinc/99/23/22/589992322.db2.gz XBALVLNXJCWEJR-HAQNSBGRSA-N 0 3 217.316 2.000 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC000873198507 589992366 /nfs/dbraw/zinc/99/23/66/589992366.db2.gz NOIRZJRLTYFSHJ-HAQNSBGRSA-N 0 3 217.316 1.702 20 30 BDEDHN Cc1csc([C@@H]2CCN(C(=O)C(C)C#N)C2)n1 ZINC000874493386 590115292 /nfs/dbraw/zinc/11/52/92/590115292.db2.gz KWBAHKGKVOSXTC-PSASIEDQSA-N 0 3 249.339 1.927 20 30 BDEDHN C[C@@H](O)CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000125167284 590143569 /nfs/dbraw/zinc/14/35/69/590143569.db2.gz REBHPJYZXDGFTA-GHMZBOCLSA-N 0 3 234.299 1.448 20 30 BDEDHN CC#CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874834089 590144024 /nfs/dbraw/zinc/14/40/24/590144024.db2.gz PBRZNLPCKLZBRC-KGLIPLIRSA-N 0 3 248.370 1.875 20 30 BDEDHN C#C[C@H]1CC[C@H](NC(=O)C(=C)CN(C)C)CC1 ZINC000874862930 590150190 /nfs/dbraw/zinc/15/01/90/590150190.db2.gz ZFZUMXBBFDCZHB-JOCQHMNTSA-N 0 3 234.343 1.412 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CC ZINC000876544382 590213101 /nfs/dbraw/zinc/21/31/01/590213101.db2.gz SXSKZVJPHHSLNC-YUMQZZPRSA-N 0 3 204.701 1.371 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(C)C ZINC000876546398 590213602 /nfs/dbraw/zinc/21/36/02/590213602.db2.gz JLCBQMUSVIWHNX-VIFPVBQESA-N 0 3 218.728 1.619 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)C(C)C ZINC000876575357 590217520 /nfs/dbraw/zinc/21/75/20/590217520.db2.gz BTFDRHNHUPSORM-SECBINFHSA-N 0 3 218.728 1.713 20 30 BDEDHN 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590323220 /nfs/dbraw/zinc/32/32/20/590323220.db2.gz KBPRVHBWBBVSQS-RHYQMDGZSA-N 0 3 225.357 1.651 20 30 BDEDHN C#C[C@H](N[C@H](C)[C@H]1CC1(F)F)[C@@H]1CCCO1 ZINC000877418410 590324832 /nfs/dbraw/zinc/32/48/32/590324832.db2.gz YODIKEVQWRREFZ-ZNSHCXBVSA-N 0 3 229.270 1.801 20 30 BDEDHN C#C[C@@H](NCc1ccc(C)cc1O)[C@H]1CCCO1 ZINC000877415389 590324838 /nfs/dbraw/zinc/32/48/38/590324838.db2.gz ALMVRWJHIBFKML-UKRRQHHQSA-N 0 3 245.322 1.971 20 30 BDEDHN C[C@H](CCC#N)CN[C@@H](C)c1nnnn1C1CC1 ZINC000877474516 590336205 /nfs/dbraw/zinc/33/62/05/590336205.db2.gz YDMZIVQHYMNWML-ZJUUUORDSA-N 0 3 248.334 1.598 20 30 BDEDHN C#C[C@@H](CC)NC[C@H](OC)C1CCOCC1 ZINC000877513207 590343425 /nfs/dbraw/zinc/34/34/25/590343425.db2.gz NYGHMYUKWMKWBT-STQMWFEESA-N 0 3 225.332 1.429 20 30 BDEDHN C#C[C@@H](C)NC[C@H](OC)C1CCOCC1 ZINC000877514286 590344813 /nfs/dbraw/zinc/34/48/13/590344813.db2.gz MDFSXXACUYYQCW-PWSUYJOCSA-N 0 3 211.305 1.039 20 30 BDEDHN C#C[C@H](C)N[C@H](C)Cc1ccnc(OC)c1 ZINC000877514097 590344987 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ZINC000307885593 386567885 /nfs/dbraw/zinc/56/78/85/386567885.db2.gz TXFAWYSOMQWWQH-SSDOTTSWSA-N 0 3 216.231 1.650 20 30 BDEDHN C#CCCCCNCc1cc(C(N)=O)cs1 ZINC000124538066 386621723 /nfs/dbraw/zinc/62/17/23/386621723.db2.gz RLRMKVPDPRTSTP-UHFFFAOYSA-N 0 3 236.340 1.740 20 30 BDEDHN Cc1noc([C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000328848311 386632420 /nfs/dbraw/zinc/63/24/20/386632420.db2.gz RATCRBNVDCGPEJ-IJLUTSLNSA-N 0 3 246.314 1.860 20 30 BDEDHN COC[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353626896 386639192 /nfs/dbraw/zinc/63/91/92/386639192.db2.gz JGQZQIQZUVWMTO-GXTWGEPZSA-N 0 3 246.310 1.142 20 30 BDEDHN N#CCCN1CCN(C2CCCCC2)CC1 ZINC000049818717 386654685 /nfs/dbraw/zinc/65/46/85/386654685.db2.gz VCLKGWZCFQFAPC-UHFFFAOYSA-N 0 3 221.348 1.850 20 30 BDEDHN CN(CCNC[C@H](C#N)CCC#N)C1CC1 ZINC000520218789 386602924 /nfs/dbraw/zinc/60/29/24/386602924.db2.gz CMASSGQFJAKSMM-NSHDSACASA-N 0 3 220.320 1.114 20 30 BDEDHN C=C(C)[C@@H](CO)N(C)C[C@@H](O)Cc1ccccc1 ZINC000645012285 386666517 /nfs/dbraw/zinc/66/65/17/386666517.db2.gz RIGRRAVLMAOJND-LSDHHAIUSA-N 0 3 249.354 1.459 20 30 BDEDHN C=C(C)[C@H](CO)N(C)C[C@@H](O)Cc1ccccc1 ZINC000645012283 386667456 /nfs/dbraw/zinc/66/74/56/386667456.db2.gz RIGRRAVLMAOJND-GJZGRUSLSA-N 0 3 249.354 1.459 20 30 BDEDHN C=CCC[C@H](CO)NCc1snnc1C ZINC000321084916 386680087 /nfs/dbraw/zinc/68/00/87/386680087.db2.gz CGMGOUSANDGSJI-SECBINFHSA-N 0 3 227.333 1.263 20 30 BDEDHN CC[C@](C)(O)CNCc1ccc(OC)c(C#N)c1 ZINC000087824529 386748411 /nfs/dbraw/zinc/74/84/11/386748411.db2.gz SHFXVMVBQBEDJG-AWEZNQCLSA-N 0 3 248.326 1.817 20 30 BDEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](CC)C1 ZINC000125082634 386754800 /nfs/dbraw/zinc/75/48/00/386754800.db2.gz YSDMIWKYMDRXOC-CYBMUJFWSA-N 0 3 236.359 1.919 20 30 BDEDHN C=CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334637808 386774166 /nfs/dbraw/zinc/77/41/66/386774166.db2.gz ZGNUDVFFMAAASE-GFCCVEGCSA-N 0 3 222.332 1.649 20 30 BDEDHN CCN(C)CCNC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000330625967 386820954 /nfs/dbraw/zinc/82/09/54/386820954.db2.gz UNMRVHVXQAZMLF-GHMZBOCLSA-N 0 3 243.351 1.009 20 30 BDEDHN CN1CC=C(CNC(=O)c2ccc[nH]c2=O)CC1 ZINC000330682159 386827759 /nfs/dbraw/zinc/82/77/59/386827759.db2.gz HCBVMRCFNIBPDD-UHFFFAOYSA-N 0 3 247.298 1.354 20 30 BDEDHN C[C@H](CCCC#N)N1C[C@H](F)C[C@H]1CO ZINC001172491375 974837305 /nfs/dbraw/zinc/83/73/05/974837305.db2.gz DXXJGZRENWWWQU-MXWKQRLJSA-N 0 3 214.284 1.473 20 30 BDEDHN CC(C#N)C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000425331905 386844219 /nfs/dbraw/zinc/84/42/19/386844219.db2.gz UIVQZRAVBBZKOL-WXHSDQCUSA-N 0 3 244.294 1.481 20 30 BDEDHN CC(C#N)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000425331900 386844461 /nfs/dbraw/zinc/84/44/61/386844461.db2.gz UIVQZRAVBBZKOL-RAIGVLPGSA-N 0 3 244.294 1.481 20 30 BDEDHN CCc1onc(C)c1C(=O)N[C@@H](C)CN(C)C ZINC000330677269 386853803 /nfs/dbraw/zinc/85/38/03/386853803.db2.gz LCTMEZQHAOCEIZ-QMMMGPOBSA-N 0 3 239.319 1.800 20 30 BDEDHN COC[C@H](NCc1ccc(C#N)o1)C1CC1 ZINC000121323866 386893179 /nfs/dbraw/zinc/89/31/79/386893179.db2.gz VYQRQCJPPCLNBT-LBPRGKRZSA-N 0 3 220.272 1.666 20 30 BDEDHN CC#CCN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334791204 386856440 /nfs/dbraw/zinc/85/64/40/386856440.db2.gz XQPNJYCROPEQEY-NWDGAFQWSA-N 0 3 205.301 1.511 20 30 BDEDHN C[C@@H](Cn1cccn1)NCC#Cc1ccccc1 ZINC000051814257 386870392 /nfs/dbraw/zinc/87/03/92/386870392.db2.gz BMAVWBPXOASNBI-AWEZNQCLSA-N 0 3 239.322 1.913 20 30 BDEDHN CC(C#N)C(=O)NCc1nc2c(s1)CCCC2 ZINC000335750000 386875262 /nfs/dbraw/zinc/87/52/62/386875262.db2.gz RPOQZAURWKXQJK-QMMMGPOBSA-N 0 3 249.339 1.798 20 30 BDEDHN COC(=O)[C@H]1CSCCN(CCCC#N)C1 ZINC000331897799 386922242 /nfs/dbraw/zinc/92/22/42/386922242.db2.gz DXPZPVMOQARNAN-SNVBAGLBSA-N 0 3 242.344 1.128 20 30 BDEDHN Cc1ccn2cc(CNC(=O)C(C)C#N)nc2c1 ZINC000334823910 386953546 /nfs/dbraw/zinc/95/35/46/386953546.db2.gz JUGPAPAXXYTCBR-JTQLQIEISA-N 0 3 242.282 1.419 20 30 BDEDHN CC[C@@H](C#N)NC(=O)C12CCCN1CCC2 ZINC000334826102 386957918 /nfs/dbraw/zinc/95/79/18/386957918.db2.gz SDEFMOMVCLJABT-JTQLQIEISA-N 0 3 221.304 1.033 20 30 BDEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000334899747 386972291 /nfs/dbraw/zinc/97/22/91/386972291.db2.gz QHQBFGGVMAYKLK-NEPJUHHUSA-N 0 3 236.359 1.751 20 30 BDEDHN CC#CCN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000458291720 386974945 /nfs/dbraw/zinc/97/49/45/386974945.db2.gz NWAAOHDOHZZZHI-NSHDSACASA-N 0 3 237.347 1.134 20 30 BDEDHN C=CCn1cc(CNC[C@@H]2C[C@@H]2C)nn1 ZINC000425360466 386977686 /nfs/dbraw/zinc/97/76/86/386977686.db2.gz XHKVZAAAQGUAJH-UWVGGRQHSA-N 0 3 206.293 1.210 20 30 BDEDHN C[C@H]1C[C@H](CO)CN(CC#Cc2ccccc2)C1 ZINC000398846462 387008488 /nfs/dbraw/zinc/00/84/88/387008488.db2.gz WAMUFOSVDNNFRX-HOCLYGCPSA-N 0 3 243.350 1.988 20 30 BDEDHN CCN(Cc1ccoc1)C(=O)C(C)C#N ZINC000609920753 387001343 /nfs/dbraw/zinc/00/13/43/387001343.db2.gz GVVVENDSBRHZDO-SECBINFHSA-N 0 3 206.245 1.788 20 30 BDEDHN C#CC[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000376163749 533210125 /nfs/dbraw/zinc/21/01/25/533210125.db2.gz CNMQCYQWJZVKHP-AVGNSLFASA-N 0 3 249.358 1.134 20 30 BDEDHN C#CC[C@H](C)NC(=O)N1CCCN(C2CC2)CC1 ZINC000370209957 533208898 /nfs/dbraw/zinc/20/88/98/533208898.db2.gz MDAQGWJTBPPGNG-LBPRGKRZSA-N 0 3 249.358 1.278 20 30 BDEDHN C=CC[C@H](CC)NCc1cnnn1CC ZINC000418040491 387073810 /nfs/dbraw/zinc/07/38/10/387073810.db2.gz IVIHZSIWEROOOG-JTQLQIEISA-N 0 3 208.309 1.742 20 30 BDEDHN CC(C)(CC(N)=O)NCc1ccc(CC#N)cc1 ZINC000348806531 387104710 /nfs/dbraw/zinc/10/47/10/387104710.db2.gz WSCGVQNVNBLGCF-UHFFFAOYSA-N 0 3 245.326 1.496 20 30 BDEDHN C=CCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418096295 387111822 /nfs/dbraw/zinc/11/18/22/387111822.db2.gz IFHWUOBNZDQLFV-WDEREUQCSA-N 0 3 225.336 1.344 20 30 BDEDHN C=C(C)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000228742846 387124006 /nfs/dbraw/zinc/12/40/06/387124006.db2.gz ZNWQZIDTCSIPIS-GRYCIOLGSA-N 0 3 224.348 1.940 20 30 BDEDHN C[C@@H](CO)CCCNCc1ccc(C#N)o1 ZINC000230160024 387147254 /nfs/dbraw/zinc/14/72/54/387147254.db2.gz GXGTYGSKZRZSSP-SNVBAGLBSA-N 0 3 222.288 1.649 20 30 BDEDHN C#CCN(C)CCCNC(=O)/C=C/C=C\C ZINC000392771019 387283803 /nfs/dbraw/zinc/28/38/03/387283803.db2.gz LHUHSRLIDYLOAY-UNQQQNFISA-N 0 3 220.316 1.190 20 30 BDEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000360061958 387291296 /nfs/dbraw/zinc/29/12/96/387291296.db2.gz TWWAJMMZOQELDJ-TVQRCGJNSA-N 0 3 243.310 1.473 20 30 BDEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H]1CO ZINC000336464473 387295260 /nfs/dbraw/zinc/29/52/60/387295260.db2.gz YSPQUOPMIHUDIY-MFKMUULPSA-N 0 3 244.294 1.264 20 30 BDEDHN C=CCC[C@@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000321074880 387329385 /nfs/dbraw/zinc/32/93/85/387329385.db2.gz AQRZKPVFJVXLQY-DTWKUNHWSA-N 0 3 241.253 1.216 20 30 BDEDHN CCC[C@@](C)(CO)NCc1cc(C#N)n(C)c1 ZINC000191090750 387330026 /nfs/dbraw/zinc/33/00/26/387330026.db2.gz XYWGDQSTDGAMJL-ZDUSSCGKSA-N 0 3 235.331 1.537 20 30 BDEDHN C=CCCCCN1C[C@H](CO)OC(C)(C)C1 ZINC000515151410 387340002 /nfs/dbraw/zinc/34/00/02/387340002.db2.gz GKVFDJUPBVMFSH-GFCCVEGCSA-N 0 3 227.348 1.814 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000336526568 387351089 /nfs/dbraw/zinc/35/10/89/387351089.db2.gz PHRYDFHJESHEDJ-KWQFWETISA-N 0 3 248.257 1.405 20 30 BDEDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000269720916 387461313 /nfs/dbraw/zinc/46/13/13/387461313.db2.gz CCXOVACBKOFNNZ-LLVKDONJSA-N 0 3 246.314 1.053 20 30 BDEDHN C#CCCCCC(=O)NCC1=CCN(C)CC1 ZINC000271890934 387449078 /nfs/dbraw/zinc/44/90/78/387449078.db2.gz OLVQKLLZOTZLST-UHFFFAOYSA-N 0 3 234.343 1.558 20 30 BDEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191376805 387386828 /nfs/dbraw/zinc/38/68/28/387386828.db2.gz XLTLDIZWCBNJKD-DGCLKSJQSA-N 0 3 247.342 1.632 20 30 BDEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000345855483 387387844 /nfs/dbraw/zinc/38/78/44/387387844.db2.gz NMQHLLRSBFJSLN-NWDGAFQWSA-N 0 3 247.298 1.156 20 30 BDEDHN CCOC[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191428030 387397826 /nfs/dbraw/zinc/39/78/26/387397826.db2.gz GJYQDHPIWCNEHT-GFCCVEGCSA-N 0 3 247.342 1.755 20 30 BDEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)CO ZINC000186095918 387508963 /nfs/dbraw/zinc/50/89/63/387508963.db2.gz HDGJPRUYEYIRNF-LLVKDONJSA-N 0 3 218.300 1.679 20 30 BDEDHN CCC[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424098042 387510376 /nfs/dbraw/zinc/51/03/76/387510376.db2.gz SHKPHUFLVXLUQD-QWRGUYRKSA-N 0 3 225.336 1.655 20 30 BDEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000293318024 387512986 /nfs/dbraw/zinc/51/29/86/387512986.db2.gz FWHWDYFHBIBPRJ-SUNKGSAMSA-N 0 3 230.311 1.932 20 30 BDEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424100324 387524668 /nfs/dbraw/zinc/52/46/68/387524668.db2.gz WXCBWQUBEQCAAK-LBPRGKRZSA-N 0 3 237.347 1.799 20 30 BDEDHN C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]1N ZINC000424103686 387527232 /nfs/dbraw/zinc/52/72/32/387527232.db2.gz FCAHCRAUDFJUQU-UONOGXRCSA-N 0 3 244.338 1.591 20 30 BDEDHN CC#CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000277769330 387540077 /nfs/dbraw/zinc/54/00/77/387540077.db2.gz SUXGLLRBCHWUJQ-CQSZACIVSA-N 0 3 244.338 1.737 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N1CCc2ccccc21 ZINC000424072161 387476790 /nfs/dbraw/zinc/47/67/90/387476790.db2.gz CNLLUPPOICTGJS-LBPRGKRZSA-N 0 3 243.310 1.597 20 30 BDEDHN CC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424075300 387478215 /nfs/dbraw/zinc/47/82/15/387478215.db2.gz JFQDSGFZDMPSBD-NSHDSACASA-N 0 3 223.320 1.266 20 30 BDEDHN CN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424075291 387478385 /nfs/dbraw/zinc/47/83/85/387478385.db2.gz JFBGYZWFHHUJNX-ZDUSSCGKSA-N 0 3 245.326 1.666 20 30 BDEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(F)c1 ZINC000424075544 387479132 /nfs/dbraw/zinc/47/91/32/387479132.db2.gz JMMJUYSCTLXTRM-NSHDSACASA-N 0 3 235.262 1.785 20 30 BDEDHN CCCCCNC(=O)[C@@H](N)CCCC#N ZINC000424078610 387481377 /nfs/dbraw/zinc/48/13/77/387481377.db2.gz QELBKQDSGXPZOM-JTQLQIEISA-N 0 3 211.309 1.314 20 30 BDEDHN CCN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)CO ZINC000292055609 387488736 /nfs/dbraw/zinc/48/87/36/387488736.db2.gz BPLJVZKZWZQPEH-BXUZGUMPSA-N 0 3 248.326 1.294 20 30 BDEDHN CN(C)CCN(C)c1ccc(C#N)cc1F ZINC000104346762 387489677 /nfs/dbraw/zinc/48/96/77/387489677.db2.gz LKIVVRSEGXNFBZ-UHFFFAOYSA-N 0 3 221.279 1.695 20 30 BDEDHN Cc1cc(CCNCc2ccc(C#N)o2)on1 ZINC000353065213 387580639 /nfs/dbraw/zinc/58/06/39/387580639.db2.gz SEGCYVCPCXPNOQ-UHFFFAOYSA-N 0 3 231.255 1.780 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430268785 387604442 /nfs/dbraw/zinc/60/44/42/387604442.db2.gz OBXSSZOUJPQTHU-CMPLNLGQSA-N 0 3 222.332 1.575 20 30 BDEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000527535279 387629418 /nfs/dbraw/zinc/62/94/18/387629418.db2.gz KWZSJNHLGDUVMD-UHIISALHSA-N 0 3 213.346 1.548 20 30 BDEDHN N#Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000019512186 387548096 /nfs/dbraw/zinc/54/80/96/387548096.db2.gz HVJOIXXVAPMYRQ-ZDUSSCGKSA-N 0 3 243.310 1.256 20 30 BDEDHN C=CCC[C@@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000426232031 387550031 /nfs/dbraw/zinc/55/00/31/387550031.db2.gz LAHNYEBEWLLMQP-SNVBAGLBSA-N 0 3 249.301 1.406 20 30 BDEDHN CC#CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000278825305 387556402 /nfs/dbraw/zinc/55/64/02/387556402.db2.gz RKOLMHDOOVNPGG-CYBMUJFWSA-N 0 3 244.338 1.646 20 30 BDEDHN C#Cc1ccc(CN2CCC[C@@H]2CO)cc1 ZINC000278853007 387557668 /nfs/dbraw/zinc/55/76/68/387557668.db2.gz DZVNEJHSIDKYSY-CQSZACIVSA-N 0 3 215.296 1.625 20 30 BDEDHN Cc1cc(CCNCc2cc(C#N)n(C)c2)on1 ZINC000353095967 387644403 /nfs/dbraw/zinc/64/44/03/387644403.db2.gz YHVYXDLOPRJEBF-UHFFFAOYSA-N 0 3 244.298 1.526 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(O)cc1 ZINC000424137925 387668862 /nfs/dbraw/zinc/66/88/62/387668862.db2.gz BENGCAPYNRSKEB-LLVKDONJSA-N 0 3 233.271 1.352 20 30 BDEDHN C=CCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451996397 387692665 /nfs/dbraw/zinc/69/26/65/387692665.db2.gz PTVNPOQJEFKSKD-NSHDSACASA-N 0 3 225.336 1.298 20 30 BDEDHN C=CCOCCN1CC(C)(C)[C@H]2COC[C@H]21 ZINC000452117811 387745951 /nfs/dbraw/zinc/74/59/51/387745951.db2.gz OBVNWZHEUSZNTF-NWDGAFQWSA-N 0 3 225.332 1.546 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OCC ZINC000452009559 387697619 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ZINC000743493554 585137506 /nfs/dbraw/zinc/13/75/06/585137506.db2.gz ZAPFETKCYUOODQ-UHFFFAOYSA-N 0 3 234.343 1.390 20 30 BDEDHN CCC(=Nn1cnnc1)C1CCOCC1 ZINC000745193382 585157484 /nfs/dbraw/zinc/15/74/84/585157484.db2.gz QCZVINZPRILEBV-UHFFFAOYSA-N 0 3 208.265 1.319 20 30 BDEDHN C#CCCCNC(=O)N(C)CCN1CCCC1 ZINC000745901539 585161435 /nfs/dbraw/zinc/16/14/35/585161435.db2.gz LXSIMMAKSDCZBO-UHFFFAOYSA-N 0 3 237.347 1.137 20 30 BDEDHN CC(=NNC(=N)N)c1c(C)nn(C(C)C)c1C ZINC000746483882 585168605 /nfs/dbraw/zinc/16/86/05/585168605.db2.gz BRBHUTFVGDALAQ-UHFFFAOYSA-N 0 3 236.323 1.288 20 30 BDEDHN C#CCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000749258588 585200821 /nfs/dbraw/zinc/20/08/21/585200821.db2.gz WYFMMEHNTAXEMM-AWEZNQCLSA-N 0 3 248.370 1.923 20 30 BDEDHN N#CCCNC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000750062052 585209778 /nfs/dbraw/zinc/20/97/78/585209778.db2.gz MDRYGMDECJILDX-VXGBXAGGSA-N 0 3 235.331 1.138 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753928527 585272139 /nfs/dbraw/zinc/27/21/39/585272139.db2.gz KSHZODRXIOEVAW-STQMWFEESA-N 0 3 242.326 1.881 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000753928522 585272311 /nfs/dbraw/zinc/27/23/11/585272311.db2.gz KSHZODRXIOEVAW-CHWSQXEVSA-N 0 3 242.326 1.881 20 30 BDEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccoc1 ZINC000753937267 585272364 /nfs/dbraw/zinc/27/23/64/585272364.db2.gz ZLNYJVHRJDCQHE-RYUDHWBXSA-N 0 3 246.314 1.864 20 30 BDEDHN C#CC(=O)N1CCCN(C2CCCC2)CC1 ZINC000754041210 585276035 /nfs/dbraw/zinc/27/60/35/585276035.db2.gz FWDCVACICXLXJW-UHFFFAOYSA-N 0 3 220.316 1.097 20 30 BDEDHN C#CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000754055831 585276770 /nfs/dbraw/zinc/27/67/70/585276770.db2.gz GJZPBSBUPURURT-CQSZACIVSA-N 0 3 242.322 1.353 20 30 BDEDHN C#CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000754063666 585277201 /nfs/dbraw/zinc/27/72/01/585277201.db2.gz KGKQMLFHBMBKRO-UHFFFAOYSA-N 0 3 236.340 1.272 20 30 BDEDHN CC(C)N1CC(N=Nc2cccnn2)[C@H](C)C1 ZINC000754259102 585281542 /nfs/dbraw/zinc/28/15/42/585281542.db2.gz LUELBUJJZKPEJZ-SNVBAGLBSA-N 0 3 233.319 1.605 20 30 BDEDHN CCCCCCCN1CCN2CCOC[C@@H]2C1 ZINC000755205317 585296083 /nfs/dbraw/zinc/29/60/83/585296083.db2.gz IRPPIEACQLINLZ-AWEZNQCLSA-N 0 3 240.391 1.973 20 30 BDEDHN C#CCN(CCn1ccccc1=O)C1CCCC1 ZINC000756912121 585325131 /nfs/dbraw/zinc/32/51/31/585325131.db2.gz JIIQMQQSAVZCCF-UHFFFAOYSA-N 0 3 244.338 1.726 20 30 BDEDHN C=C(Cl)CN[C@@H]1CCN(C(C)=O)C[C@H]1CC ZINC000839560591 585331338 /nfs/dbraw/zinc/33/13/38/585331338.db2.gz NFLMOOCOLJTVSF-VXGBXAGGSA-N 0 3 244.766 1.976 20 30 BDEDHN CC(C)[C@@H]1CCC(N=NC(=N)N)C[C@H]1C ZINC000758098043 585349040 /nfs/dbraw/zinc/34/90/40/585349040.db2.gz MGBCOTXISSJVJD-SCZZXKLOSA-N 0 3 210.325 1.918 20 30 BDEDHN CN1CCc2cc(C=NNC3CC3)ccc21 ZINC000758129840 585350150 /nfs/dbraw/zinc/35/01/50/585350150.db2.gz QWSHMNZLKMGZSV-UHFFFAOYSA-N 0 3 215.300 1.765 20 30 BDEDHN CC(C)CC(=NNC(=N)N)c1ccccn1 ZINC000760217705 585386871 /nfs/dbraw/zinc/38/68/71/585386871.db2.gz YZYOAHNAXAAPCH-UHFFFAOYSA-N 0 3 219.292 1.315 20 30 BDEDHN CC[C@H](C)OCC(=O)C(C#N)c1ccncn1 ZINC000760345730 585390912 /nfs/dbraw/zinc/39/09/12/585390912.db2.gz NBIONHVIWQYZCG-VHSXEESVSA-N 0 3 233.271 1.468 20 30 BDEDHN CC[C@@H](C)OCC(=O)C(C#N)c1ccncn1 ZINC000760345728 585391075 /nfs/dbraw/zinc/39/10/75/585391075.db2.gz NBIONHVIWQYZCG-NXEZZACHSA-N 0 3 233.271 1.468 20 30 BDEDHN C#CCCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000760372709 585391481 /nfs/dbraw/zinc/39/14/81/585391481.db2.gz GTEPBQUJYFWNNF-RYUDHWBXSA-N 0 3 222.332 1.389 20 30 BDEDHN C#CCCCC(=O)NCCN1CCC[C@H]1C ZINC000760872922 585400550 /nfs/dbraw/zinc/40/05/50/585400550.db2.gz KDVIRWHSHLHXPO-GFCCVEGCSA-N 0 3 222.332 1.390 20 30 BDEDHN C#CCOCCN(C)C[C@H](O)Cc1ccccc1 ZINC000761109243 585410333 /nfs/dbraw/zinc/41/03/33/585410333.db2.gz PAXDDNSPZFLGTR-OAHLLOKOSA-N 0 3 247.338 1.172 20 30 BDEDHN C#CCOCCN(C)C[C@@](C)(O)c1ccccc1 ZINC000761114158 585410471 /nfs/dbraw/zinc/41/04/71/585410471.db2.gz LNNPQNWGIFGFNO-OAHLLOKOSA-N 0 3 247.338 1.476 20 30 BDEDHN N#Cc1ccc(F)c(CN[C@@H](CO)C2CC2)c1 ZINC000763089610 585443049 /nfs/dbraw/zinc/44/30/49/585443049.db2.gz ZAMGHXAUZYAKJB-ZDUSSCGKSA-N 0 3 234.274 1.558 20 30 BDEDHN C=C(C)CN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763759481 585454113 /nfs/dbraw/zinc/45/41/13/585454113.db2.gz KJPTXTYRPBQGLI-JTQLQIEISA-N 0 3 209.289 1.590 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCc1ccccc1 ZINC000763905055 585456961 /nfs/dbraw/zinc/45/69/61/585456961.db2.gz YFKVFQNIRHZHRJ-UHFFFAOYSA-N 0 3 246.354 1.853 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccc(C)o1 ZINC000763928735 585457015 /nfs/dbraw/zinc/45/70/15/585457015.db2.gz WORDHUBAPZHQGH-UHFFFAOYSA-N 0 3 236.315 1.664 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCc2occc21 ZINC000764145831 585460919 /nfs/dbraw/zinc/46/09/19/585460919.db2.gz ITTSAGHZOYBTBN-GFCCVEGCSA-N 0 3 248.326 1.891 20 30 BDEDHN CC(=NNC(=N)N)c1cc2c(s1)CCCC2 ZINC000764405765 585465126 /nfs/dbraw/zinc/46/51/26/585465126.db2.gz ZUDDFEARGFVJIL-UHFFFAOYSA-N 0 3 236.344 1.834 20 30 BDEDHN CC(=NNC(=N)N)c1cc2c(s1)CCC2 ZINC000764405675 585465138 /nfs/dbraw/zinc/46/51/38/585465138.db2.gz XSEKLGKXACDXQQ-UHFFFAOYSA-N 0 3 222.317 1.444 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000764611139 585468842 /nfs/dbraw/zinc/46/88/42/585468842.db2.gz OQZIAPQJRHOCTC-UHFFFAOYSA-N 0 3 249.314 1.455 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCSC(C)(C)C1 ZINC000764613588 585469123 /nfs/dbraw/zinc/46/91/23/585469123.db2.gz QUJCOSGMGYYGGV-UHFFFAOYSA-N 0 3 242.388 1.458 20 30 BDEDHN C#CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764780700 585473301 /nfs/dbraw/zinc/47/33/01/585473301.db2.gz RTCGMYPZMIRLGF-CYBMUJFWSA-N 0 3 249.358 1.326 20 30 BDEDHN CC(C)O[C@@H]1CC(=Nn2cnnc2)C1(C)C ZINC000764891785 585477374 /nfs/dbraw/zinc/47/73/74/585477374.db2.gz NTNDKVQXAUEIDR-SNVBAGLBSA-N 0 3 222.292 1.706 20 30 BDEDHN Cc1cc(N=NC2CCN3CCC[C@@H]23)ncn1 ZINC000765575837 585490348 /nfs/dbraw/zinc/49/03/48/585490348.db2.gz JDMXVBUSYHXZTR-NSHDSACASA-N 0 3 231.303 1.421 20 30 BDEDHN c1cnnc(N=NC2CCN3CCC[C@H]23)c1 ZINC000765579273 585490400 /nfs/dbraw/zinc/49/04/00/585490400.db2.gz XVFHZHXLGQNZMF-SNVBAGLBSA-N 0 3 217.276 1.113 20 30 BDEDHN C#CCCCN(CCC)CC(=O)NCCC ZINC000766894923 585509351 /nfs/dbraw/zinc/50/93/51/585509351.db2.gz HCISKCCRMJAZEY-UHFFFAOYSA-N 0 3 224.348 1.638 20 30 BDEDHN C#CCCCN(C)CC(=O)NCc1ccccc1 ZINC000766919799 585511819 /nfs/dbraw/zinc/51/18/19/585511819.db2.gz NWNLBFWVHCLTOL-UHFFFAOYSA-N 0 3 244.338 1.648 20 30 BDEDHN C#CCCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000766935788 585512000 /nfs/dbraw/zinc/51/20/00/585512000.db2.gz PPVWEDQLRDPHPJ-MELADBBJSA-N 0 3 237.343 1.668 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000768086785 585531598 /nfs/dbraw/zinc/53/15/98/585531598.db2.gz PHHXEUUGZQJJKX-CYBMUJFWSA-N 0 3 248.370 1.731 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000768189200 585533605 /nfs/dbraw/zinc/53/36/05/585533605.db2.gz XMOLCVPNGCLIGE-GFCCVEGCSA-N 0 3 236.359 1.589 20 30 BDEDHN C[C@H]1CNC(NN=C2CC[C@@H]2c2ccccc2)=N1 ZINC000769799027 585563934 /nfs/dbraw/zinc/56/39/34/585563934.db2.gz QUVRVTWXDOBBNQ-CMPLNLGQSA-N 0 3 242.326 1.857 20 30 BDEDHN C[C@H](CC#N)NN=C1CCN(C)[C@H](C)C1 ZINC000771885034 585603381 /nfs/dbraw/zinc/60/33/81/585603381.db2.gz HZMHTYALBJTCAI-NXEZZACHSA-N 0 3 208.309 1.348 20 30 BDEDHN C=CC[N@@H+](CCCOC(=O)N=C(N)[O-])C(C)C ZINC000772174680 585609389 /nfs/dbraw/zinc/60/93/89/585609389.db2.gz KUJNMVZXLVMZJP-UHFFFAOYSA-N 0 3 243.307 1.078 20 30 BDEDHN C=CC[N@H+](CCCOC(=O)N=C(N)[O-])C(C)C ZINC000772174680 585609390 /nfs/dbraw/zinc/60/93/90/585609390.db2.gz KUJNMVZXLVMZJP-UHFFFAOYSA-N 0 3 243.307 1.078 20 30 BDEDHN C=CC[N@@H+](CCCOC([O-])=NC(N)=O)C(C)C ZINC000772174680 585609391 /nfs/dbraw/zinc/60/93/91/585609391.db2.gz KUJNMVZXLVMZJP-UHFFFAOYSA-N 0 3 243.307 1.078 20 30 BDEDHN C=CC[N@H+](CCCOC([O-])=NC(N)=O)C(C)C ZINC000772174680 585609392 /nfs/dbraw/zinc/60/93/92/585609392.db2.gz KUJNMVZXLVMZJP-UHFFFAOYSA-N 0 3 243.307 1.078 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCCO1 ZINC000774365009 585656975 /nfs/dbraw/zinc/65/69/75/585656975.db2.gz VZPFTBKUJRQFSE-YIYPIFLZSA-N 0 3 232.327 1.839 20 30 BDEDHN CN(C)c1ccncc1C=NOC1CCOCC1 ZINC000774434012 585658790 /nfs/dbraw/zinc/65/87/90/585658790.db2.gz GOEPNLYKFKDEOI-UHFFFAOYSA-N 0 3 249.314 1.677 20 30 BDEDHN C#CCCN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000775217209 585673731 /nfs/dbraw/zinc/67/37/31/585673731.db2.gz LODUJEYYXCJECQ-CQSZACIVSA-N 0 3 244.338 1.819 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000775380826 585676656 /nfs/dbraw/zinc/67/66/56/585676656.db2.gz ANOXIHMXYUDOJU-YPMHNXCESA-N 0 3 234.343 1.531 20 30 BDEDHN C#CCNC(=O)CN[C@H](C)c1cccc(C)c1C ZINC000775434350 585677858 /nfs/dbraw/zinc/67/78/58/585677858.db2.gz LIARHCUFOSFAQE-CYBMUJFWSA-N 0 3 244.338 1.703 20 30 BDEDHN C#C[C@H](N[C@@H](C)CCn1cccn1)[C@H]1CCCO1 ZINC000775575234 585680731 /nfs/dbraw/zinc/68/07/31/585680731.db2.gz VDPGUJWFVBMPDF-MELADBBJSA-N 0 3 247.342 1.432 20 30 BDEDHN C#C[C@H](N[C@@H](CCCC)COC)[C@@H]1CCCO1 ZINC000775572989 585680853 /nfs/dbraw/zinc/68/08/53/585680853.db2.gz VVQOOAKRJNRQHF-IHRRRGAJSA-N 0 3 239.359 1.962 20 30 BDEDHN C=C(C)CCN1CCN(CCCCO)CC1 ZINC000775637799 585682186 /nfs/dbraw/zinc/68/21/86/585682186.db2.gz YRSOBJUFVZQBRH-UHFFFAOYSA-N 0 3 226.364 1.343 20 30 BDEDHN C#C[C@@H](NCc1cccc(C)c1O)[C@H]1CCCO1 ZINC000775999969 585689154 /nfs/dbraw/zinc/68/91/54/585689154.db2.gz JHILXGBCNAOVRQ-ZIAGYGMSSA-N 0 3 245.322 1.971 20 30 BDEDHN C=CCCCCCN(C)Cn1cnnc1 ZINC000776760369 585704979 /nfs/dbraw/zinc/70/49/79/585704979.db2.gz ORGMFMXJCUHWIA-UHFFFAOYSA-N 0 3 208.309 1.914 20 30 BDEDHN C=CCS(=O)(=O)C(C)C(=O)NC(C)(C)CC ZINC000779367128 585752603 /nfs/dbraw/zinc/75/26/03/585752603.db2.gz OONYUTOARDRUIO-VIFPVBQESA-N 0 3 247.360 1.281 20 30 BDEDHN CC(Cc1ccccc1C)=NNC1=N[C@@H](C)CN1 ZINC000779791432 585763695 /nfs/dbraw/zinc/76/36/95/585763695.db2.gz JCDFEORWPHLIFN-LBPRGKRZSA-N 0 3 244.342 1.851 20 30 BDEDHN CC(=NNC1=NC[C@H](C)N1)c1ccc(C)s1 ZINC000779803727 585764834 /nfs/dbraw/zinc/76/48/34/585764834.db2.gz RMQHINCGXJVUDZ-ZETCQYMHSA-N 0 3 236.344 1.718 20 30 BDEDHN C#CCCCCCC(=O)NC[C@H](C)N(C)C ZINC000780361174 585778126 /nfs/dbraw/zinc/77/81/26/585778126.db2.gz ATSHATBCWIPWRJ-LBPRGKRZSA-N 0 3 224.348 1.636 20 30 BDEDHN N#Cc1ccc(CNC[C@H]2CCCOC2)nc1 ZINC000780556240 585781095 /nfs/dbraw/zinc/78/10/95/585781095.db2.gz VHNCRDWZVZZTHB-GFCCVEGCSA-N 0 3 231.299 1.469 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)C2)CC1 ZINC000781621366 585801047 /nfs/dbraw/zinc/80/10/47/585801047.db2.gz SGIMVFBJTUKOPL-JSGCOSHPSA-N 0 3 248.370 1.636 20 30 BDEDHN CCOC1CC(NCc2ccc(C#N)cn2)C1 ZINC000783299482 585833202 /nfs/dbraw/zinc/83/32/02/585833202.db2.gz CSRJRYDIKIYBBF-UHFFFAOYSA-N 0 3 231.299 1.610 20 30 BDEDHN C#CCOCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000784079223 585848855 /nfs/dbraw/zinc/84/88/55/585848855.db2.gz JODKPSXCXMOKPE-LBPRGKRZSA-N 0 3 228.295 1.859 20 30 BDEDHN C[C@]1(C#N)CCCN(CCN2CCCC2)C1 ZINC000784450029 585860030 /nfs/dbraw/zinc/86/00/30/585860030.db2.gz IHSLPTAFVMWXDR-CYBMUJFWSA-N 0 3 221.348 1.708 20 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ZINC000795328404 586075027 /nfs/dbraw/zinc/07/50/27/586075027.db2.gz GSKKPKNODTXHCO-DGCLKSJQSA-N 0 3 230.311 1.084 20 30 BDEDHN N#CCCNC(=O)CN(C1CCC1)C1CCC1 ZINC000795471159 586080736 /nfs/dbraw/zinc/08/07/36/586080736.db2.gz NZSWMAUVHYVBAK-UHFFFAOYSA-N 0 3 235.331 1.423 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796799947 586113221 /nfs/dbraw/zinc/11/32/21/586113221.db2.gz WGZHQAUKWAEDLJ-TUAOUCFPSA-N 0 3 242.278 1.245 20 30 BDEDHN N=C(N)N=NC1CCC[C@H]([C@H]2CCOC2)C1 ZINC000799108454 586156456 /nfs/dbraw/zinc/15/64/56/586156456.db2.gz BBQDZGCHXJUOAV-IUCAKERBSA-N 0 3 224.308 1.052 20 30 BDEDHN C#C[C@](C)(CC)NCC(=O)NCC(C)(C)C ZINC000859320227 589030955 /nfs/dbraw/zinc/03/09/55/589030955.db2.gz WCNLQVPVFFOIGC-CYBMUJFWSA-N 0 3 224.348 1.540 20 30 BDEDHN Cc1cc(C)cc([C@H](O)CNC(=O)C(C)C#N)c1 ZINC000801535389 586261039 /nfs/dbraw/zinc/26/10/39/586261039.db2.gz ITPSHYNWIIOLNS-DGCLKSJQSA-N 0 3 246.310 1.613 20 30 BDEDHN C#CCNC(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000801600780 586265907 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368040264 /nfs/dbraw/zinc/04/02/64/368040264.db2.gz KNXMHVLINSFBRA-MNOVXSKESA-N 0 3 245.330 1.267 20 30 BDEDHN CC(C)[C@H]1OCCC[C@@H]1CNCCC#N ZINC000566792421 326083483 /nfs/dbraw/zinc/08/34/83/326083483.db2.gz XAELOMSFUYPHSK-VXGBXAGGSA-N 0 3 210.321 1.941 20 30 BDEDHN CCN(CC(C)C)[C@@H](C)C(=O)N(C)CCC#N ZINC000153719380 326110089 /nfs/dbraw/zinc/11/00/89/326110089.db2.gz YSGQKMAQEXOVNK-LBPRGKRZSA-N 0 3 239.363 1.725 20 30 BDEDHN C=CCCO[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000066896931 368666302 /nfs/dbraw/zinc/66/63/02/368666302.db2.gz MJZLHDMMWLAGAS-NSHDSACASA-N 0 3 240.347 1.178 20 30 BDEDHN CN1CCN(c2cccc(C#N)n2)CC1(C)C ZINC000081619683 370908015 /nfs/dbraw/zinc/90/80/15/370908015.db2.gz YDMPISCGNJABCC-UHFFFAOYSA-N 0 3 230.315 1.484 20 30 BDEDHN C=CCOCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457103419 203007731 /nfs/dbraw/zinc/00/77/31/203007731.db2.gz AUJQLPWYCYXRCA-GFCCVEGCSA-N 0 3 240.347 1.130 20 30 BDEDHN COC(=O)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000095020342 368939129 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201.273 1.699 20 30 BDEDHN CCN[C@H](C)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000602521462 369805620 /nfs/dbraw/zinc/80/56/20/369805620.db2.gz OAGPXIDQFGPLSN-SNVBAGLBSA-N 0 3 243.310 1.398 20 30 BDEDHN N#Cc1cccc(CNC[C@H]2CCCC[C@@H]2O)n1 ZINC000602553420 369812026 /nfs/dbraw/zinc/81/20/26/369812026.db2.gz UBQORACCMVFFFK-RISCZKNCSA-N 0 3 245.326 1.594 20 30 BDEDHN C[C@@H]1CC(NCc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602577023 369816316 /nfs/dbraw/zinc/81/63/16/369816316.db2.gz FMRCDICNNUBRPS-GHMZBOCLSA-N 0 3 245.326 1.999 20 30 BDEDHN C[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602577148 369816459 /nfs/dbraw/zinc/81/64/59/369816459.db2.gz TUIJNKWVFYKDIQ-MNOVXSKESA-N 0 3 231.299 1.610 20 30 BDEDHN C[C@]1(CNCc2cccc(C#N)n2)CCCO1 ZINC000602575954 369817324 /nfs/dbraw/zinc/81/73/24/369817324.db2.gz KIODVMGTKRMCAO-CYBMUJFWSA-N 0 3 231.299 1.612 20 30 BDEDHN N#Cc1cccc(CNCC[C@@H]2CCOC2)n1 ZINC000602608562 369826301 /nfs/dbraw/zinc/82/63/01/369826301.db2.gz OBWDJBCZXIHEGN-LLVKDONJSA-N 0 3 231.299 1.469 20 30 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VCRRPNGYVAILCB-UHFFFAOYSA-N 0 3 245.326 1.516 20 30 BDEDHN C=CCN1CCN([C@H](C)CCCC#N)CC1 ZINC001172507082 974862338 /nfs/dbraw/zinc/86/23/38/974862338.db2.gz ONZHQRHLWNNQQU-CYBMUJFWSA-N 0 3 221.348 1.872 20 30 BDEDHN C=CCC1(NCc2cnnn2C)CCOCC1 ZINC000657633823 411567587 /nfs/dbraw/zinc/56/75/87/411567587.db2.gz YLEXBLLEXWXQIG-UHFFFAOYSA-N 0 3 236.319 1.030 20 30 BDEDHN C=CCCNC(=O)NCCN1CCC(C)CC1 ZINC000660396275 411578908 /nfs/dbraw/zinc/57/89/08/411578908.db2.gz PMQYLNGRCMXUAT-UHFFFAOYSA-N 0 3 239.363 1.594 20 30 BDEDHN C=CCCNC(=O)NCCN(CC)C1CC1 ZINC000660587279 411604425 /nfs/dbraw/zinc/60/44/25/411604425.db2.gz QQGOHHZVYVAIII-UHFFFAOYSA-N 0 3 225.336 1.346 20 30 BDEDHN C=CCN(C)[C@H](CO)Cc1ccccc1 ZINC000661097143 411704747 /nfs/dbraw/zinc/70/47/47/411704747.db2.gz RXGCTEZAHVLCFF-ZDUSSCGKSA-N 0 3 205.301 1.708 20 30 BDEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1C ZINC000661118333 411714228 /nfs/dbraw/zinc/71/42/28/411714228.db2.gz YUEUSULKKROFCX-WDEREUQCSA-N 0 3 235.335 1.435 20 30 BDEDHN C=CCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000660869115 411660821 /nfs/dbraw/zinc/66/08/21/411660821.db2.gz OGMRGQIVHMFJDI-QWRGUYRKSA-N 0 3 237.347 1.487 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@@H](Cn2ccnn2)C1 ZINC000661144429 411718065 /nfs/dbraw/zinc/71/80/65/411718065.db2.gz CMLJQHPPYNPDAE-CHWSQXEVSA-N 0 3 232.331 1.402 20 30 BDEDHN C=CCN(C[C@H](O)CC)[C@@H](C)COC ZINC000661238959 411739684 /nfs/dbraw/zinc/73/96/84/411739684.db2.gz ARHZQBOKDSWZCZ-WDEREUQCSA-N 0 3 201.310 1.280 20 30 BDEDHN C=CC[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000661380512 411762075 /nfs/dbraw/zinc/76/20/75/411762075.db2.gz NFKNRCHXQTVFII-GHMZBOCLSA-N 0 3 208.305 1.163 20 30 BDEDHN C=C[C@H](CO)NC[C@H](OC)C1CCCC1 ZINC000662169873 412017987 /nfs/dbraw/zinc/01/79/87/412017987.db2.gz WLKLLUDHNQUKOJ-NEPJUHHUSA-N 0 3 213.321 1.328 20 30 BDEDHN C=C[C@H](CO)NC[C@@H](OC)C1CCCCC1 ZINC000662169706 412018084 /nfs/dbraw/zinc/01/80/84/412018084.db2.gz QYVPOGCYBXPDCG-CHWSQXEVSA-N 0 3 227.348 1.718 20 30 BDEDHN C=CCNC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000662037170 411951989 /nfs/dbraw/zinc/95/19/89/411951989.db2.gz GLJVQLATUHEGKL-ZDUSSCGKSA-N 0 3 236.359 1.801 20 30 BDEDHN CC[C@@H]1CO[C@H](C)CN1C(=O)C(C)C#N ZINC000044824409 171112610 /nfs/dbraw/zinc/11/26/10/171112610.db2.gz FCVYHQNSUXMQIP-IVZWLZJFSA-N 0 3 210.277 1.172 20 30 BDEDHN CC[C@H](C(=O)N[C@@H](C)C#N)N(CC)CC ZINC000332427564 171230215 /nfs/dbraw/zinc/23/02/15/171230215.db2.gz AMTWZOOSPLXQSN-VHSXEESVSA-N 0 3 211.309 1.135 20 30 BDEDHN C=CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662349257 412120349 /nfs/dbraw/zinc/12/03/49/412120349.db2.gz QHPFVYOWIOYYFB-GFCCVEGCSA-N 0 3 216.284 1.523 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)nn1 ZINC000611241996 412266273 /nfs/dbraw/zinc/26/62/73/412266273.db2.gz XZKVJCMPZXMNLU-JOYOIKCWSA-N 0 3 243.314 1.243 20 30 BDEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)[nH]1 ZINC000680617270 487622558 /nfs/dbraw/zinc/62/25/58/487622558.db2.gz MCTNUMYHVGZSMM-LLVKDONJSA-N 0 3 240.266 1.912 20 30 BDEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000662844434 412319878 /nfs/dbraw/zinc/31/98/78/412319878.db2.gz ZFUNSZSCLHEKMB-GARJFASQSA-N 0 3 210.321 1.585 20 30 BDEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000662857843 412326546 /nfs/dbraw/zinc/32/65/46/412326546.db2.gz RDTXNSPPBVXNNG-CHWSQXEVSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945924 412351050 /nfs/dbraw/zinc/35/10/50/412351050.db2.gz XKPMMARQPDZDQM-HBNTYKKESA-N 0 3 228.311 1.486 20 30 BDEDHN CCn1cc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000309936970 172176428 /nfs/dbraw/zinc/17/64/28/172176428.db2.gz AJPDOHDONWFABZ-JQWIXIFHSA-N 0 3 218.304 1.685 20 30 BDEDHN CN(Cc1ccc(C#N)o1)CC1CC(O)C1 ZINC000191166944 172847443 /nfs/dbraw/zinc/84/74/43/172847443.db2.gz KUYMEKGOJPITOJ-UHFFFAOYSA-N 0 3 220.272 1.354 20 30 BDEDHN CN1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000042547463 173124462 /nfs/dbraw/zinc/12/44/62/173124462.db2.gz XDAHKDRRAZHINK-CYBMUJFWSA-N 0 3 215.300 1.352 20 30 BDEDHN CN1CC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000048738708 173153908 /nfs/dbraw/zinc/15/39/08/173153908.db2.gz LHVHFIBVHOKGHH-JTQLQIEISA-N 0 3 202.261 1.069 20 30 BDEDHN CN1CC[C@H]2CCN(c3cccc(C#N)n3)[C@H]2C1 ZINC000272257337 173160728 /nfs/dbraw/zinc/16/07/28/173160728.db2.gz ZJIQSYDXQINSOW-AAEUAGOBSA-N 0 3 242.326 1.484 20 30 BDEDHN CN1C[C@H](NCc2cccc(C#N)c2)CCC1=O ZINC000077900350 173194694 /nfs/dbraw/zinc/19/46/94/173194694.db2.gz SSMGJBCYGFASAM-CYBMUJFWSA-N 0 3 243.310 1.269 20 30 BDEDHN CNC(=O)C(C)(C)CNCc1ccc(C#N)cc1 ZINC000120319199 173219900 /nfs/dbraw/zinc/21/99/00/173219900.db2.gz FIDODBGTRZEMOU-UHFFFAOYSA-N 0 3 245.326 1.420 20 30 BDEDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000298411372 173282891 /nfs/dbraw/zinc/28/28/91/173282891.db2.gz NQAIYOIYIKMIOY-QWRGUYRKSA-N 0 3 245.326 1.733 20 30 BDEDHN CNC(=O)[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC000176366331 173301190 /nfs/dbraw/zinc/30/11/90/173301190.db2.gz NCCQDTHNVLBJJB-LLVKDONJSA-N 0 3 245.326 1.372 20 30 BDEDHN COCC[C@H](CO)NCc1ccc(C#N)cc1 ZINC000282362215 174412181 /nfs/dbraw/zinc/41/21/81/174412181.db2.gz WIDDAQWYSJDRTH-CYBMUJFWSA-N 0 3 234.299 1.045 20 30 BDEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOCCO ZINC000265824252 176013496 /nfs/dbraw/zinc/01/34/96/176013496.db2.gz SPNQEMVAZDENRI-LBPRGKRZSA-N 0 3 248.326 1.560 20 30 BDEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C#N)nn1 ZINC000301917559 176268707 /nfs/dbraw/zinc/26/87/07/176268707.db2.gz DWZWAPYENOZHKT-ZYHUDNBSSA-N 0 3 245.330 1.125 20 30 BDEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CO ZINC000276797246 176283524 /nfs/dbraw/zinc/28/35/24/176283524.db2.gz QJACEELSAQTQFW-HIFRSBDPSA-N 0 3 229.323 1.598 20 30 BDEDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCC#N ZINC000189419309 176285100 /nfs/dbraw/zinc/28/51/00/176285100.db2.gz MGUCKIDVADVRGO-GFCCVEGCSA-N 0 3 239.363 1.067 20 30 BDEDHN C[C@H](C[S@@](C)=O)NCc1cccc(C#N)c1 ZINC000135529032 176720859 /nfs/dbraw/zinc/72/08/59/176720859.db2.gz UUIIGTHYAMQPKE-HWPZZCPQSA-N 0 3 236.340 1.415 20 30 BDEDHN C[C@H](O)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000161860954 177015926 /nfs/dbraw/zinc/01/59/26/177015926.db2.gz KSFFWGISEKNONM-FZMZJTMJSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CO ZINC000189696247 177163601 /nfs/dbraw/zinc/16/36/01/177163601.db2.gz NZMAAAMFUGONLT-SMDDNHRTSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@H]1O ZINC000351823668 177252557 /nfs/dbraw/zinc/25/25/57/177252557.db2.gz NCNQRORTPZBUNB-SMDDNHRTSA-N 0 3 246.310 1.250 20 30 BDEDHN CN(C)C/C=C\C(=O)Nc1ccc(F)c(C#N)c1 ZINC000491853767 225857254 /nfs/dbraw/zinc/85/72/54/225857254.db2.gz WECFJZGCBDDWPR-ARJAWSKDSA-N 0 3 247.273 1.754 20 30 BDEDHN CN(C)C/C=C/C(=O)Nc1ccccc1CC#N ZINC000493485558 226229297 /nfs/dbraw/zinc/22/92/97/226229297.db2.gz MEAAFQIOQPFPGZ-VMPITWQZSA-N 0 3 243.310 1.809 20 30 BDEDHN C[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404149954 229376061 /nfs/dbraw/zinc/37/60/61/229376061.db2.gz RFIVWJLNKUUOLL-MRVPVSSYSA-N 0 3 208.236 1.168 20 30 BDEDHN C=CCNC(=O)N[C@H](CC)CN1CCCC1 ZINC000675153670 487675338 /nfs/dbraw/zinc/67/53/38/487675338.db2.gz UPPPZGJDIOGIPZ-LLVKDONJSA-N 0 3 225.336 1.346 20 30 BDEDHN CC(C)OCC(C)(C)NC(=O)C(C)C#N ZINC000396441154 262804123 /nfs/dbraw/zinc/80/41/23/262804123.db2.gz IFCWZPMAFGXKSJ-SECBINFHSA-N 0 3 212.293 1.466 20 30 BDEDHN CC1(C)C[C@@H](NCC2(CC#N)CC2)CO1 ZINC000396478737 262804423 /nfs/dbraw/zinc/80/44/23/262804423.db2.gz UUHCPGARBCBVIU-SNVBAGLBSA-N 0 3 208.305 1.837 20 30 BDEDHN CCC#C[C@H](C)N(C)CCN(C)C1CC1 ZINC000681168150 487740828 /nfs/dbraw/zinc/74/08/28/487740828.db2.gz DKVYCXVDRYPYQF-LBPRGKRZSA-N 0 3 208.349 1.814 20 30 BDEDHN C=CCOCCNCc1cnc(CC)nc1 ZINC000666356151 487793330 /nfs/dbraw/zinc/79/33/30/487793330.db2.gz WAYAXUTZRJLSON-UHFFFAOYSA-N 0 3 221.304 1.331 20 30 BDEDHN C=C(Cl)CNC(=O)Cc1nc[nH]c1C ZINC000791363072 585978764 /nfs/dbraw/zinc/97/87/64/585978764.db2.gz ALGNYMSINBPKNM-UHFFFAOYSA-N 0 3 213.668 1.129 20 30 BDEDHN CCN(CCO)Cc1ccc(C#N)c(C)c1 ZINC000487867386 528553847 /nfs/dbraw/zinc/55/38/47/528553847.db2.gz DLKXXKQFPMFHNI-UHFFFAOYSA-N 0 3 218.300 1.681 20 30 BDEDHN C#CCOCCN1CCCOC(C)(C)C1 ZINC000851776631 588626704 /nfs/dbraw/zinc/62/67/04/588626704.db2.gz WJLILQDIZAMXGS-UHFFFAOYSA-N 0 3 211.305 1.137 20 30 BDEDHN CC#CCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000341982121 487846822 /nfs/dbraw/zinc/84/68/22/487846822.db2.gz DAWBHJMMFBIBKB-INIZCTEOSA-N 0 3 242.366 1.868 20 30 BDEDHN C#C[C@@H]1CCCCN1CCCNC(C)=O ZINC000934511934 631891634 /nfs/dbraw/zinc/89/16/34/631891634.db2.gz XBRJOBFGAIDLDX-GFCCVEGCSA-N 0 3 208.305 1.000 20 30 BDEDHN C[C@H](CC#N)C(=O)NCCN1CCC[C@H](C)C1 ZINC000596807683 487902157 /nfs/dbraw/zinc/90/21/57/487902157.db2.gz KMJNCGAWFNKOPR-NWDGAFQWSA-N 0 3 237.347 1.384 20 30 BDEDHN CC#CCN(C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666921965 487905430 /nfs/dbraw/zinc/90/54/30/487905430.db2.gz HLOWLNKETFVVAK-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C=CCCOCC(=O)NCC1(N(C)C)CCC1 ZINC000682168560 487922868 /nfs/dbraw/zinc/92/28/68/487922868.db2.gz KKCFSAOHOSPCQT-UHFFFAOYSA-N 0 3 240.347 1.180 20 30 BDEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000558698023 322953831 /nfs/dbraw/zinc/95/38/31/322953831.db2.gz NJVFLHJTXNEARR-MROQNXINSA-N 0 3 247.342 1.422 20 30 BDEDHN C#CCN(CCn1cccn1)C1CCCC1 ZINC000155833658 323002731 /nfs/dbraw/zinc/00/27/31/323002731.db2.gz NYTNIZRWFCNOPM-UHFFFAOYSA-N 0 3 217.316 1.761 20 30 BDEDHN C=CCCCC(=O)NCCN1CC[C@H](C)C1 ZINC000531127529 323005356 /nfs/dbraw/zinc/00/53/56/323005356.db2.gz BFKIVKIDBHSSRN-LBPRGKRZSA-N 0 3 224.348 1.801 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000569778719 323040418 /nfs/dbraw/zinc/04/04/18/323040418.db2.gz SXXHFOJTOKUZKD-XJFOESAGSA-N 0 3 247.342 1.977 20 30 BDEDHN C[C@](C#N)(NC(=O)CN[C@@H]1CCC1(C)C)C1CC1 ZINC000569822073 323041919 /nfs/dbraw/zinc/04/19/19/323041919.db2.gz IXYVMPKQIATCTO-BXUZGUMPSA-N 0 3 249.358 1.573 20 30 BDEDHN N#CCC[C@@H](C#N)CNC1CCSCC1 ZINC000569921429 323044604 /nfs/dbraw/zinc/04/46/04/323044604.db2.gz RZCDHGCUGKFCTQ-JTQLQIEISA-N 0 3 223.345 1.915 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@H](C2CC2)C1 ZINC000563011263 323079761 /nfs/dbraw/zinc/07/97/61/323079761.db2.gz IAJNMIRYRAZHET-XBFCOCLRSA-N 0 3 247.342 1.977 20 30 BDEDHN N#CCCCNC[C@H](O)Cc1ccc(F)cc1 ZINC000563013612 323079943 /nfs/dbraw/zinc/07/99/43/323079943.db2.gz KEJATKLCIPININ-CYBMUJFWSA-N 0 3 236.290 1.622 20 30 BDEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)nc1 ZINC000563355654 323120448 /nfs/dbraw/zinc/12/04/48/323120448.db2.gz VEVOYGMHBVVDMN-OCCSQVGLSA-N 0 3 245.326 1.594 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CCC(C=C)CC1 ZINC000111257546 323157942 /nfs/dbraw/zinc/15/79/42/323157942.db2.gz NPUZKVGVPOZZGL-LLVKDONJSA-N 0 3 220.316 1.022 20 30 BDEDHN C#CCNC1(C(=O)NCCCC)CCCCC1 ZINC000132840248 323175720 /nfs/dbraw/zinc/17/57/20/323175720.db2.gz SHUUIBAXAVNXKC-UHFFFAOYSA-N 0 3 236.359 1.828 20 30 BDEDHN Cn1ccnc1[C@H]1CCN(CCCC#N)C1 ZINC000536068176 323195679 /nfs/dbraw/zinc/19/56/79/323195679.db2.gz UWLNFMYROMBSPE-NSHDSACASA-N 0 3 218.304 1.513 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530077671 323197270 /nfs/dbraw/zinc/19/72/70/323197270.db2.gz WJNUZSHFRHNHTR-SCZZXKLOSA-N 0 3 246.270 1.005 20 30 BDEDHN C=CCCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399124486 323197400 /nfs/dbraw/zinc/19/74/00/323197400.db2.gz REJUZFYEWPTQTO-LLVKDONJSA-N 0 3 210.321 1.538 20 30 BDEDHN CCC#C[C@@H](C)N1CCC[C@H](CNC(C)=O)C1 ZINC000677048520 487959120 /nfs/dbraw/zinc/95/91/20/487959120.db2.gz ZUHSTVOSOICSEY-TZMCWYRMSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCOCCCNCc1cn2cccnc2n1 ZINC000668581758 487962997 /nfs/dbraw/zinc/96/29/97/487962997.db2.gz KSMLCTZWTJBCPT-UHFFFAOYSA-N 0 3 246.314 1.412 20 30 BDEDHN CCOC(=O)CCCN1CCC(CC#N)CC1 ZINC000541953838 325000825 /nfs/dbraw/zinc/00/08/25/325000825.db2.gz SPHMNGGTOWKLGT-UHFFFAOYSA-N 0 3 238.331 1.955 20 30 BDEDHN C=CC[C@@H](C)NC(=O)CCN(C)c1ccncc1 ZINC000543715100 325103941 /nfs/dbraw/zinc/10/39/41/325103941.db2.gz ZMAQMBRWEMNUCE-GFCCVEGCSA-N 0 3 247.342 1.989 20 30 BDEDHN C[C@]1(CO)CCCN1Cc1ccccc1C#N ZINC000546812107 325313328 /nfs/dbraw/zinc/31/33/28/325313328.db2.gz WJVNFDKQMDTKMR-CQSZACIVSA-N 0 3 230.311 1.905 20 30 BDEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCC1 ZINC000075841716 325316957 /nfs/dbraw/zinc/31/69/57/325316957.db2.gz YAZQTVIGUNQZPU-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN C[C@H]1CCCN(CCNc2ccncc2C#N)C1 ZINC000547361639 325347813 /nfs/dbraw/zinc/34/78/13/325347813.db2.gz ARIACGRVHNIQTF-LBPRGKRZSA-N 0 3 244.342 1.519 20 30 BDEDHN CC1CCN(CCNC(=O)C2(C#N)CCC2)CC1 ZINC000134605472 325367385 /nfs/dbraw/zinc/36/73/85/325367385.db2.gz FIHNECZIJVCSNP-UHFFFAOYSA-N 0 3 249.358 1.528 20 30 BDEDHN N#Cc1ccc(CNCCCCn2ccnc2)o1 ZINC000135160206 325398002 /nfs/dbraw/zinc/39/80/02/325398002.db2.gz PDYSEHQJGIRALZ-UHFFFAOYSA-N 0 3 244.298 1.918 20 30 BDEDHN CC[C@@H](C#N)NC(=O)CCN(C)c1ccncc1 ZINC000547814158 325403063 /nfs/dbraw/zinc/40/30/63/325403063.db2.gz OYNNUFPMQXHNDS-NSHDSACASA-N 0 3 246.314 1.326 20 30 BDEDHN C=CC[C@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000551310618 325553969 /nfs/dbraw/zinc/55/39/69/325553969.db2.gz DELHOFXJQNFOJT-VXGBXAGGSA-N 0 3 245.326 1.922 20 30 BDEDHN C=CC[C@H](CO)N[C@@H](C)c1cn2ccccc2n1 ZINC000551310616 325554034 /nfs/dbraw/zinc/55/40/34/325554034.db2.gz DELHOFXJQNFOJT-NWDGAFQWSA-N 0 3 245.326 1.922 20 30 BDEDHN C=CCN(CCN(C)C)Cc1ccccn1 ZINC000572538742 325699068 /nfs/dbraw/zinc/69/90/68/325699068.db2.gz FFXJQZYAYKJVEP-UHFFFAOYSA-N 0 3 219.332 1.631 20 30 BDEDHN C[C@H]1CCC[C@H](C)N1CCNCCC#N ZINC000564857320 325818270 /nfs/dbraw/zinc/81/82/70/325818270.db2.gz SKPGNTLRMMGFPA-RYUDHWBXSA-N 0 3 209.337 1.753 20 30 BDEDHN C[C@@H](C#N)CNC(=O)c1ccccc1CN(C)C ZINC000566044841 325987449 /nfs/dbraw/zinc/98/74/49/325987449.db2.gz XRHIORCSWUAALD-NSHDSACASA-N 0 3 245.326 1.638 20 30 BDEDHN CC#CCCN1CCOC[C@H]1C1CCC1 ZINC000566185875 326008932 /nfs/dbraw/zinc/00/89/32/326008932.db2.gz XWJHDPXRWJTMCQ-ZDUSSCGKSA-N 0 3 207.317 1.901 20 30 BDEDHN C=C(C)CNC(=O)CN1CCC(C)(C)C1 ZINC000566450456 326049618 /nfs/dbraw/zinc/04/96/18/326049618.db2.gz GCEPAEWWOBYHKI-UHFFFAOYSA-N 0 3 210.321 1.411 20 30 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C=CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895692607 583707787 /nfs/dbraw/zinc/70/77/87/583707787.db2.gz UXKBMCTUIBHFFM-NWDGAFQWSA-N 0 3 237.347 1.441 20 30 BDEDHN C[C@@H]1[C@H](Nc2ccc(C#N)cc2CO)CCN1C ZINC000895733260 583717534 /nfs/dbraw/zinc/71/75/34/583717534.db2.gz AAVNWHBFKWJTHI-ZWNOBZJWSA-N 0 3 245.326 1.555 20 30 BDEDHN C#CCCN1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858040068 588931090 /nfs/dbraw/zinc/93/10/90/588931090.db2.gz BYHJGRMODCJVDV-CYBMUJFWSA-N 0 3 230.311 1.866 20 30 BDEDHN COC(OC)[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000895788886 583727840 /nfs/dbraw/zinc/72/78/40/583727840.db2.gz BKHZURYHTOIYAS-VHSXEESVSA-N 0 3 228.336 1.912 20 30 BDEDHN C=CC(C)(C)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000895841721 583735014 /nfs/dbraw/zinc/73/50/14/583735014.db2.gz SKMVLEQLJNKUNY-NSHDSACASA-N 0 3 239.363 1.735 20 30 BDEDHN C#Cc1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000895871748 583737567 /nfs/dbraw/zinc/73/75/67/583737567.db2.gz BQEPVNUDTDZIER-UHFFFAOYSA-N 0 3 242.322 1.492 20 30 BDEDHN CCO[C@H](CNc1ncccc1C#N)CN(C)C ZINC000896118122 583772180 /nfs/dbraw/zinc/77/21/80/583772180.db2.gz RKRLBNDIOOEVGB-GFCCVEGCSA-N 0 3 248.330 1.332 20 30 BDEDHN CCO[C@H](CNc1cnccc1C#N)CN(C)C ZINC000896110747 583772853 /nfs/dbraw/zinc/77/28/53/583772853.db2.gz BMGWBWXRRPRMBG-GFCCVEGCSA-N 0 3 248.330 1.332 20 30 BDEDHN CCCN1CC[C@H](NC(=O)c2coc(C#N)c2)C1 ZINC000869284510 583860907 /nfs/dbraw/zinc/86/09/07/583860907.db2.gz GJFKHSSRHDSJTC-NSHDSACASA-N 0 3 247.298 1.365 20 30 BDEDHN CC1(C)CCN(CCNc2ccc(C#N)nn2)C1 ZINC000897248860 583902757 /nfs/dbraw/zinc/90/27/57/583902757.db2.gz FRVLPFDGSBYRQQ-UHFFFAOYSA-N 0 3 245.330 1.492 20 30 BDEDHN C=CCN(CCCS(=O)(=O)N(C)C)C(C)C ZINC000728688745 583904441 /nfs/dbraw/zinc/90/44/41/583904441.db2.gz TUIGOKULTLZSHE-UHFFFAOYSA-N 0 3 248.392 1.164 20 30 BDEDHN N#C[C@H]1CCC[C@H](NCc2cncc(O)c2)C1 ZINC000897315991 583918762 /nfs/dbraw/zinc/91/87/62/583918762.db2.gz VPDXGRZETCMFMR-JQWIXIFHSA-N 0 3 231.299 1.959 20 30 BDEDHN C#CCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000858217521 588939095 /nfs/dbraw/zinc/93/90/95/588939095.db2.gz APKAZIJFTQYYTH-CYBMUJFWSA-N 0 3 249.358 1.326 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCc2ncccc21 ZINC000888142284 583970773 /nfs/dbraw/zinc/97/07/73/583970773.db2.gz SZRRYBTVQYBCBJ-UHFFFAOYSA-N 0 3 231.299 1.089 20 30 BDEDHN C#CC[C@@H](COC)NCc1sccc1OC ZINC000858334801 588946300 /nfs/dbraw/zinc/94/63/00/588946300.db2.gz GGIJIMDUSCHCOP-JTQLQIEISA-N 0 3 239.340 1.885 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1c[nH]nc1C ZINC000858334371 588946570 /nfs/dbraw/zinc/94/65/70/588946570.db2.gz VGDCFIURLWZSGB-LBPRGKRZSA-N 0 3 221.304 1.236 20 30 BDEDHN C#CC[C@H](COC)NCc1cnc2ccccn12 ZINC000858335730 588947297 /nfs/dbraw/zinc/94/72/97/588947297.db2.gz FQDHVIMBHROKRP-GFCCVEGCSA-N 0 3 243.310 1.462 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000898398979 584131411 /nfs/dbraw/zinc/13/14/11/584131411.db2.gz UQLPKDXHQFOQFG-UWVGGRQHSA-N 0 3 246.314 1.556 20 30 BDEDHN C#CCCNC(=O)NCCN1CCC(C)(C)C1 ZINC000898596350 584144754 /nfs/dbraw/zinc/14/47/54/584144754.db2.gz RUGIXDFHYWYRRM-UHFFFAOYSA-N 0 3 237.347 1.041 20 30 BDEDHN CC(C#N)C(=O)NCc1cc(C2CC2)no1 ZINC000899370009 584208208 /nfs/dbraw/zinc/20/82/08/584208208.db2.gz VHYDJYICVRUKGI-ZETCQYMHSA-N 0 3 219.244 1.328 20 30 BDEDHN C=CCCCN(CC)C(=S)NCCN(C)C ZINC000899693232 584225817 /nfs/dbraw/zinc/22/58/17/584225817.db2.gz OOKOLOFADQEPED-UHFFFAOYSA-N 0 3 243.420 1.711 20 30 BDEDHN CON(C)C(=O)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000858580655 588968992 /nfs/dbraw/zinc/96/89/92/588968992.db2.gz TVNSXARTGJAXSJ-GARJFASQSA-N 0 3 239.319 1.067 20 30 BDEDHN C=CCCC[C@H](N)c1nc(C2(N)CCC2)no1 ZINC000900008235 584264998 /nfs/dbraw/zinc/26/49/98/584264998.db2.gz AYCWZTXTSXEJRE-VIFPVBQESA-N 0 3 236.319 1.764 20 30 BDEDHN C#Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000900011056 584266062 /nfs/dbraw/zinc/26/60/62/584266062.db2.gz IIYWJVNHXCZJDA-UHFFFAOYSA-N 0 3 242.322 1.494 20 30 BDEDHN N#CC1(NC(=O)[C@H]2CC[C@@H]3CCCCN23)CCC1 ZINC000900397282 584302253 /nfs/dbraw/zinc/30/22/53/584302253.db2.gz HXWWKLHLIBFESS-NWDGAFQWSA-N 0 3 247.342 1.566 20 30 BDEDHN C=C(Cl)CNC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000900759674 584346010 /nfs/dbraw/zinc/34/60/10/584346010.db2.gz MIMVPVQNPXWZPN-GHMZBOCLSA-N 0 3 242.750 1.872 20 30 BDEDHN C#CC[C@@H](CCOC)Nc1cc(C)nc(N)n1 ZINC000858855055 588978899 /nfs/dbraw/zinc/97/88/99/588978899.db2.gz HCZSXCXUTRULFA-JTQLQIEISA-N 0 3 234.303 1.208 20 30 BDEDHN Cn1nccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000901219692 584402850 /nfs/dbraw/zinc/40/28/50/584402850.db2.gz BPCRZPJMLHSKEN-LBPRGKRZSA-N 0 3 247.346 1.836 20 30 BDEDHN CCNN=Cc1ccc2c(c1)CCN2C ZINC000901278878 584413931 /nfs/dbraw/zinc/41/39/31/584413931.db2.gz JDFXUIPSLOIWJT-UHFFFAOYSA-N 0 3 203.289 1.622 20 30 BDEDHN C#CCCOC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000858961590 588987196 /nfs/dbraw/zinc/98/71/96/588987196.db2.gz QTVPDVPFACITLA-LBPRGKRZSA-N 0 3 236.315 1.220 20 30 BDEDHN C#CCCOC(=O)N1CCC[C@H]1CN(C)C ZINC000859066753 588994401 /nfs/dbraw/zinc/99/44/01/588994401.db2.gz VWBHBUZDOQIKSM-NSHDSACASA-N 0 3 224.304 1.172 20 30 BDEDHN C#CCCOC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000859062571 588996042 /nfs/dbraw/zinc/99/60/42/588996042.db2.gz RCQQLVHNOMEIIH-ZYHUDNBSSA-N 0 3 236.315 1.219 20 30 BDEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(CC)cn1 ZINC000902542155 584628602 /nfs/dbraw/zinc/62/86/02/584628602.db2.gz VJMMOXMBUILTDT-TZMCWYRMSA-N 0 3 249.358 1.974 20 30 BDEDHN C=CCCCN(CC)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902669369 584654203 /nfs/dbraw/zinc/65/42/03/584654203.db2.gz LOASKQMMOPUKJC-RYUDHWBXSA-N 0 3 222.332 1.710 20 30 BDEDHN COCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902720144 584659433 /nfs/dbraw/zinc/65/94/33/584659433.db2.gz DLKRHPMFKSKCDS-SNVBAGLBSA-N 0 3 219.288 1.640 20 30 BDEDHN C[C@H](NC[C@H]1CCCO1)c1cc(C#N)ccn1 ZINC000902722551 584660486 /nfs/dbraw/zinc/66/04/86/584660486.db2.gz GBISKDDHNWMCEM-CMPLNLGQSA-N 0 3 231.299 1.783 20 30 BDEDHN C[C@H](NCCN1CCCC1)c1cc(C#N)ccn1 ZINC000902726410 584661364 /nfs/dbraw/zinc/66/13/64/584661364.db2.gz OWZIRNMTLJQXMP-LBPRGKRZSA-N 0 3 244.342 1.700 20 30 BDEDHN CC(C)[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902835825 584679518 /nfs/dbraw/zinc/67/95/18/584679518.db2.gz PSCQBLPCXPTKJK-ZWNOBZJWSA-N 0 3 233.315 1.621 20 30 BDEDHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1cc(C#N)ccn1 ZINC000902887153 584688836 /nfs/dbraw/zinc/68/88/36/584688836.db2.gz ZHRDLYDUKLSICA-DRZSPHRISA-N 0 3 245.326 1.907 20 30 BDEDHN C[C@H](NCCN1CCC1)c1cc(C#N)ccn1 ZINC000902885479 584688859 /nfs/dbraw/zinc/68/88/59/584688859.db2.gz BBPWYTUFIWHNIC-NSHDSACASA-N 0 3 230.315 1.310 20 30 BDEDHN C[C@@H](NCC1(CO)CCC1)c1cc(C#N)ccn1 ZINC000902952347 584704537 /nfs/dbraw/zinc/70/45/37/584704537.db2.gz WGJNCSAHXMCUQX-LLVKDONJSA-N 0 3 245.326 1.766 20 30 BDEDHN C/C=C/C[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902957505 584705655 /nfs/dbraw/zinc/70/56/55/584705655.db2.gz JELUCSAANPRTBT-JCMPJRQWSA-N 0 3 245.326 1.931 20 30 BDEDHN CC(C)[C@@H](CO)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902987940 584708796 /nfs/dbraw/zinc/70/87/96/584708796.db2.gz LSOHDCQUQKVPIU-WCQYABFASA-N 0 3 247.342 1.868 20 30 BDEDHN C[C@H](NC[C@H]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902970383 584712408 /nfs/dbraw/zinc/71/24/08/584712408.db2.gz MKTSGVNZCQLKQO-WCFLWFBJSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C1(CO)CC1 ZINC000903047794 584723698 /nfs/dbraw/zinc/72/36/98/584723698.db2.gz CUBPKMDINWRWMC-WDEREUQCSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@@H](N[C@H](C)C1(CO)CC1)c1cc(C#N)ccn1 ZINC000903047791 584723814 /nfs/dbraw/zinc/72/38/14/584723814.db2.gz CUBPKMDINWRWMC-GHMZBOCLSA-N 0 3 245.326 1.765 20 30 BDEDHN CC(C)(C#N)CN[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903101723 584727024 /nfs/dbraw/zinc/72/70/24/584727024.db2.gz LFSLVPZHYYNKPW-JZRPKSSGSA-N 0 3 234.343 1.939 20 30 BDEDHN C#C[C@H](NCc1cn(C)nc1C)C1CCOCC1 ZINC000827566676 584899476 /nfs/dbraw/zinc/89/94/76/584899476.db2.gz YGMPNHVCVAFEHC-AWEZNQCLSA-N 0 3 247.342 1.247 20 30 BDEDHN CC(=NN(C)[C@H](C)CO)c1ccc(N)cc1 ZINC000842545074 584904443 /nfs/dbraw/zinc/90/44/43/584904443.db2.gz ZHKKOBLCLSVRHL-SECBINFHSA-N 0 3 221.304 1.305 20 30 BDEDHN C#CCCOC(=O)NC(C)(C)CN(C)C ZINC000859185231 589016189 /nfs/dbraw/zinc/01/61/89/589016189.db2.gz JIBYXNYLSAIUCY-UHFFFAOYSA-N 0 3 212.293 1.076 20 30 BDEDHN COC[C@@H](C)NN=C1CCc2cc(N)ccc21 ZINC000834970088 584916065 /nfs/dbraw/zinc/91/60/65/584916065.db2.gz HEPGKTYRMHOGGZ-SECBINFHSA-N 0 3 233.315 1.544 20 30 BDEDHN C(ON=C1CCN2CCC[C@H]12)[C@H]1CCOC1 ZINC000788034108 584924806 /nfs/dbraw/zinc/92/48/06/584924806.db2.gz NVZAKRQHPLZTKR-CMPLNLGQSA-N 0 3 224.304 1.264 20 30 BDEDHN C#CCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000733341967 584947243 /nfs/dbraw/zinc/94/72/43/584947243.db2.gz ULQHNNMYJBUCEL-LBPRGKRZSA-N 0 3 237.347 1.041 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000733890955 584954598 /nfs/dbraw/zinc/95/45/98/584954598.db2.gz ONTHABBQVPLCGK-WDEREUQCSA-N 0 3 244.294 1.514 20 30 BDEDHN CC(C#N)C(=O)NCc1cccc2c1OCCO2 ZINC000733895022 584954644 /nfs/dbraw/zinc/95/46/44/584954644.db2.gz JFWRNVYWYIUNJZ-VIFPVBQESA-N 0 3 246.266 1.234 20 30 BDEDHN C#CCNC(=O)CN1CCCC(C)(C)[C@@H]1CC=C ZINC000769954138 584974017 /nfs/dbraw/zinc/97/40/17/584974017.db2.gz RQKVSTMTHKPELU-ZDUSSCGKSA-N 0 3 248.370 1.803 20 30 BDEDHN CC[C@@H]1CCCN(CC(=O)NCCC#N)CC1 ZINC000735310706 584975533 /nfs/dbraw/zinc/97/55/33/584975533.db2.gz CBGJTBJRXYHHPY-GFCCVEGCSA-N 0 3 237.347 1.528 20 30 BDEDHN C=CC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735409585 584976645 /nfs/dbraw/zinc/97/66/45/584976645.db2.gz GKCAFUQASTZWPI-JTQLQIEISA-N 0 3 243.314 1.921 20 30 BDEDHN C=CC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735409585 584976646 /nfs/dbraw/zinc/97/66/46/584976646.db2.gz GKCAFUQASTZWPI-JTQLQIEISA-N 0 3 243.314 1.921 20 30 BDEDHN CN(C)C1(CNC(=O)C#Cc2ccccc2)CC1 ZINC000841455388 584990713 /nfs/dbraw/zinc/99/07/13/584990713.db2.gz PAYRSZRZCBGYET-UHFFFAOYSA-N 0 3 242.322 1.249 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1CCOC12CCCCC2 ZINC000888305191 584995063 /nfs/dbraw/zinc/99/50/63/584995063.db2.gz BXTWIQGUZWJBNR-GHMZBOCLSA-N 0 3 236.315 1.754 20 30 BDEDHN CCO[C@H]1CC(=Nn2cnnc2)C1(C)C ZINC000736428613 585001701 /nfs/dbraw/zinc/00/17/01/585001701.db2.gz JQVJZWCMMASUFA-VIFPVBQESA-N 0 3 208.265 1.317 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000736668864 585008964 /nfs/dbraw/zinc/00/89/64/585008964.db2.gz JJZOEPRZEQIACN-KWQFWETISA-N 0 3 236.246 1.135 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000736672717 585009415 /nfs/dbraw/zinc/00/94/15/585009415.db2.gz LRAIJHSHPGKBJV-NXEZZACHSA-N 0 3 232.283 1.516 20 30 BDEDHN Cc1ccccc1[C@H](O)CNC(=O)C(C)C#N ZINC000736680677 585009610 /nfs/dbraw/zinc/00/96/10/585009610.db2.gz CBCQWEDOWLUSAL-ZYHUDNBSSA-N 0 3 232.283 1.304 20 30 BDEDHN COc1cccc([C@H](O)CNC(=O)C(C)C#N)c1 ZINC000736679349 585009649 /nfs/dbraw/zinc/00/96/49/585009649.db2.gz BOHZHGRQKNYWRI-JOYOIKCWSA-N 0 3 248.282 1.004 20 30 BDEDHN C#CCCN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000740737006 585106125 /nfs/dbraw/zinc/10/61/25/585106125.db2.gz VPVTWNIBPZLWPA-UHFFFAOYSA-N 0 3 245.326 1.232 20 30 BDEDHN CC(C#N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000740939101 585108088 /nfs/dbraw/zinc/10/80/88/585108088.db2.gz JRORZWZAZPAKMV-LDYMZIIASA-N 0 3 238.312 1.231 20 30 BDEDHN C#CCN1CCC[C@H](NCc2ccncc2F)C1 ZINC000886209353 585113011 /nfs/dbraw/zinc/11/30/11/585113011.db2.gz KQAUQLGICANJTH-ZDUSSCGKSA-N 0 3 247.317 1.408 20 30 BDEDHN CCN1CCC(=NN2CCOCC2)[C@H](C)C1 ZINC000741452031 585114067 /nfs/dbraw/zinc/11/40/67/585114067.db2.gz UUVOWUITQBKIOT-LLVKDONJSA-N 0 3 225.336 1.036 20 30 BDEDHN C[C@H]1CC(N=Nc2ccccn2)CCN1C ZINC000741457549 585114192 /nfs/dbraw/zinc/11/41/92/585114192.db2.gz WECBELZSAHATQH-JTQLQIEISA-N 0 3 218.304 1.964 20 30 BDEDHN C[C@H]1CC(N=Nc2cccnn2)CCN1C ZINC000741461014 585114258 /nfs/dbraw/zinc/11/42/58/585114258.db2.gz SISPZBCSVVGUSI-VIFPVBQESA-N 0 3 219.292 1.359 20 30 BDEDHN C=CCNC(=S)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000741485215 585114594 /nfs/dbraw/zinc/11/45/94/585114594.db2.gz IBOPALPPRRELKX-QWRGUYRKSA-N 0 3 241.404 1.461 20 30 BDEDHN C[C@](O)(CN1CCC[C@@H](CC#N)C1)C(F)F ZINC000886274450 585116576 /nfs/dbraw/zinc/11/65/76/585116576.db2.gz UANNMWJTBUAAGL-ONGXEEELSA-N 0 3 232.274 1.628 20 30 BDEDHN CC#CCN1CCC(C(=O)NCC(C)C)CC1 ZINC000741776062 585118145 /nfs/dbraw/zinc/11/81/45/585118145.db2.gz UBRRAXMTRPQZET-UHFFFAOYSA-N 0 3 236.359 1.494 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)CO)cc1 ZINC000742382730 585125481 /nfs/dbraw/zinc/12/54/81/585125481.db2.gz IQIRRJCNQMAHRK-QWRGUYRKSA-N 0 3 234.299 1.448 20 30 BDEDHN CCO[C@H]1CC(N=NC(=N)N)C12CCCC2 ZINC000743417453 585136615 /nfs/dbraw/zinc/13/66/15/585136615.db2.gz JHYHUMDIRTXRTF-VIFPVBQESA-N 0 3 224.308 1.195 20 30 BDEDHN CCO[C@H]1CC(N=NC(=N)N)C1(CC)CC ZINC000748245574 585189674 /nfs/dbraw/zinc/18/96/74/585189674.db2.gz ASZZFKGCSGSKBY-VIFPVBQESA-N 0 3 226.324 1.441 20 30 BDEDHN CCN(CC)c1ccc(C=NN[C@@H](C)CO)cc1 ZINC000749814243 585206443 /nfs/dbraw/zinc/20/64/43/585206443.db2.gz MMQXPJBOCBANQM-LBPRGKRZSA-N 0 3 249.358 1.837 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753803611 585269621 /nfs/dbraw/zinc/26/96/21/585269621.db2.gz WMZOODDZJGWKGG-QMMMGPOBSA-N 0 3 242.225 1.043 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccncc1 ZINC000753933971 585272092 /nfs/dbraw/zinc/27/20/92/585272092.db2.gz DTEAAOHAJFVZBS-VXGBXAGGSA-N 0 3 243.314 1.276 20 30 BDEDHN N=C(N)NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000753924801 585272271 /nfs/dbraw/zinc/27/22/71/585272271.db2.gz VSYXZAQWMDVPDS-JTQLQIEISA-N 0 3 246.314 1.300 20 30 BDEDHN C#CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000753952426 585273010 /nfs/dbraw/zinc/27/30/10/585273010.db2.gz LWJSRWPEUCOUHF-GXTWGEPZSA-N 0 3 242.322 1.571 20 30 BDEDHN C#C[C@H](N[C@@H](C)CCC#N)[C@@H]1CCCO1 ZINC000839564931 585330393 /nfs/dbraw/zinc/33/03/93/585330393.db2.gz SXFYOTUZPXMCCT-SRVKXCTJSA-N 0 3 206.289 1.449 20 30 BDEDHN C=C(Cl)CN[C@H]1CCC[C@H]1C(=O)NC ZINC000839581856 585330807 /nfs/dbraw/zinc/33/08/07/585330807.db2.gz VKBSJUWVTHVJQR-BDAKNGLRSA-N 0 3 216.712 1.243 20 30 BDEDHN C#C[C@H](NC[C@H]1CCC(C)(C)O1)[C@@H]1CCCO1 ZINC000839563132 585331318 /nfs/dbraw/zinc/33/13/18/585331318.db2.gz GGDSIZOREUBJJY-AGIUHOORSA-N 0 3 237.343 1.714 20 30 BDEDHN C#CCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757711370 585344555 /nfs/dbraw/zinc/34/45/55/585344555.db2.gz HMDRJCKCMMISLX-DGCLKSJQSA-N 0 3 249.358 1.182 20 30 BDEDHN C#CCCCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000758636258 585357805 /nfs/dbraw/zinc/35/78/05/585357805.db2.gz ICVOLXJRYDZNRI-CHWSQXEVSA-N 0 3 236.359 1.779 20 30 BDEDHN C[C@@H]1CC(=NOCC(F)F)CCN1C ZINC000758904306 585362038 /nfs/dbraw/zinc/36/20/38/585362038.db2.gz UPMLALNZDRKYDD-SSDOTTSWSA-N 0 3 206.236 1.738 20 30 BDEDHN CCC(=NN[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000759204999 585365489 /nfs/dbraw/zinc/36/54/89/585365489.db2.gz KARJGYWRNCZLHZ-NSHDSACASA-N 0 3 249.358 1.837 20 30 BDEDHN C#CCCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000760307593 585389801 /nfs/dbraw/zinc/38/98/01/585389801.db2.gz OMKQWPYIJJMUPD-GFCCVEGCSA-N 0 3 222.332 1.248 20 30 BDEDHN CCCOCC(=O)C(C#N)c1ccncn1 ZINC000760332867 585390595 /nfs/dbraw/zinc/39/05/95/585390595.db2.gz HKZFFOFSSOZSDJ-SECBINFHSA-N 0 3 219.244 1.079 20 30 BDEDHN C#CCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000760834079 585399004 /nfs/dbraw/zinc/39/90/04/585399004.db2.gz KTDIKRNCQSUBIB-BDAKNGLRSA-N 0 3 221.222 1.397 20 30 BDEDHN C#CCCN1CC[C@H](OCCOCC)C1 ZINC000760880769 585400967 /nfs/dbraw/zinc/40/09/67/585400967.db2.gz XNSFPSWKZLYVIO-LBPRGKRZSA-N 0 3 211.305 1.137 20 30 BDEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cnn(C)c1 ZINC000761866938 585421455 /nfs/dbraw/zinc/42/14/55/585421455.db2.gz SKYCZAZMBVQIRP-SECBINFHSA-N 0 3 233.319 1.302 20 30 BDEDHN C=CCN(C[C@H]1CC2(CC2)C(=O)O1)C(C)C ZINC000763670488 585452191 /nfs/dbraw/zinc/45/21/91/585452191.db2.gz GKDFJOVTWHOVKO-LLVKDONJSA-N 0 3 223.316 1.979 20 30 BDEDHN C=C1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763693129 585452867 /nfs/dbraw/zinc/45/28/67/585452867.db2.gz YMHKQZVPPKLDEB-NSHDSACASA-N 0 3 221.300 1.734 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(C)cc1O ZINC000763924371 585457080 /nfs/dbraw/zinc/45/70/80/585457080.db2.gz SYFYBMVBJLDYIZ-UHFFFAOYSA-N 0 3 234.299 1.757 20 30 BDEDHN C=C(CN(C)C)C(=O)Oc1ccccc1OC ZINC000763973092 585457925 /nfs/dbraw/zinc/45/79/25/585457925.db2.gz QESNRLVSYJVZAF-UHFFFAOYSA-N 0 3 235.283 1.718 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@H](CC)C1 ZINC000764253392 585462865 /nfs/dbraw/zinc/46/28/65/585462865.db2.gz NDPMLTWSJHBVMH-LBPRGKRZSA-N 0 3 224.348 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cccnc1OC ZINC000764337211 585463585 /nfs/dbraw/zinc/46/35/85/585463585.db2.gz XENIGBZGOAGUKL-UHFFFAOYSA-N 0 3 235.287 1.147 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1nc(C)cs1 ZINC000764369610 585463993 /nfs/dbraw/zinc/46/39/93/585463993.db2.gz YKXXXPRZHNBUAC-UHFFFAOYSA-N 0 3 225.317 1.508 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C(C1CC1)C1CC1 ZINC000764459393 585466074 /nfs/dbraw/zinc/46/60/74/585466074.db2.gz GMFAKVQHSHCXTO-UHFFFAOYSA-N 0 3 236.359 1.751 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C[C@@H](C)CC ZINC000764507482 585466929 /nfs/dbraw/zinc/46/69/29/585466929.db2.gz OYCJWEYXRZCSFF-JTQLQIEISA-N 0 3 212.337 1.609 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ncccc1C ZINC000764506156 585466932 /nfs/dbraw/zinc/46/69/32/585466932.db2.gz CRHFAPBTABKJHD-UHFFFAOYSA-N 0 3 233.315 1.124 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](CO)CC(C)(C)C ZINC000764625461 585469025 /nfs/dbraw/zinc/46/90/25/585469025.db2.gz LJLCBKBFDCVZNH-NSHDSACASA-N 0 3 242.363 1.018 20 30 BDEDHN CC#CC(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000805332446 585504431 /nfs/dbraw/zinc/50/44/31/585504431.db2.gz VMBHZZYXQAKMIP-VXGBXAGGSA-N 0 3 220.316 1.095 20 30 BDEDHN CC#CC(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000805332445 585504504 /nfs/dbraw/zinc/50/45/04/585504504.db2.gz VMBHZZYXQAKMIP-RYUDHWBXSA-N 0 3 220.316 1.095 20 30 BDEDHN Cc1cccc2c1[C@@H](C)CC2=NNC(=N)N ZINC000766692417 585505732 /nfs/dbraw/zinc/50/57/32/585505732.db2.gz UYXIFIRKGIVMGL-QMMMGPOBSA-N 0 3 216.288 1.689 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000767078237 585513529 /nfs/dbraw/zinc/51/35/29/585513529.db2.gz RVCJLKPGOHBKPM-CYBMUJFWSA-N 0 3 248.370 1.636 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H]1CCC(C)C ZINC000767907620 585528207 /nfs/dbraw/zinc/52/82/07/585528207.db2.gz QBXPIAOESSUGNP-CYBMUJFWSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000771511422 585595491 /nfs/dbraw/zinc/59/54/91/585595491.db2.gz UXTHMODDGNHERA-RISCZKNCSA-N 0 3 230.311 1.427 20 30 BDEDHN C#CCNC(=O)CCNCc1c(C)cccc1C ZINC000773399209 585636156 /nfs/dbraw/zinc/63/61/56/585636156.db2.gz DSXHIBWFRPNEIJ-UHFFFAOYSA-N 0 3 244.338 1.533 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1(C)CCCCC1 ZINC000773854412 585645013 /nfs/dbraw/zinc/64/50/13/585645013.db2.gz RARHMWPEEDUDBY-UHFFFAOYSA-N 0 3 224.348 1.943 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000773980231 585647684 /nfs/dbraw/zinc/64/76/84/585647684.db2.gz PDNOTVYRFYNIOY-GMTAPVOTSA-N 0 3 234.299 1.290 20 30 BDEDHN CC1(C)OCC(N[C@H]2CCC[C@H](C#N)C2)CO1 ZINC000774347889 585656863 /nfs/dbraw/zinc/65/68/63/585656863.db2.gz LRRQMWRTNWNLML-QWRGUYRKSA-N 0 3 238.331 1.810 20 30 BDEDHN C#CCCCN(C)C[C@H](O)C(F)(F)F ZINC000774772423 585665784 /nfs/dbraw/zinc/66/57/84/585665784.db2.gz PVCXVZRNYXYBAB-QMMMGPOBSA-N 0 3 209.211 1.255 20 30 BDEDHN C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000775183104 585673178 /nfs/dbraw/zinc/67/31/78/585673178.db2.gz IASKQFUIWXJFCW-VIFPVBQESA-N 0 3 207.248 1.985 20 30 BDEDHN C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000775183104 585673179 /nfs/dbraw/zinc/67/31/79/585673179.db2.gz IASKQFUIWXJFCW-VIFPVBQESA-N 0 3 207.248 1.985 20 30 BDEDHN C#C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000775380812 585676822 /nfs/dbraw/zinc/67/68/22/585676822.db2.gz ANOXIHMXYUDOJU-AAEUAGOBSA-N 0 3 234.343 1.531 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000775385217 585677095 /nfs/dbraw/zinc/67/70/95/585677095.db2.gz YQBJQUOCNZQVJU-OLZOCXBDSA-N 0 3 236.359 1.635 20 30 BDEDHN C#CC[C@H](NCC1(CO)COC1)c1ccccc1 ZINC000775400480 585677700 /nfs/dbraw/zinc/67/77/00/585677700.db2.gz KAOUGGSKHAHAID-AWEZNQCLSA-N 0 3 245.322 1.350 20 30 BDEDHN C#C[C@@H](NCCc1c(C)noc1C)[C@H]1CCCO1 ZINC000775789831 585684921 /nfs/dbraw/zinc/68/49/21/585684921.db2.gz FCWCHVFGTDHBNK-ZIAGYGMSSA-N 0 3 248.326 1.604 20 30 BDEDHN C#C[C@@H](NCCc1cccnc1)[C@H]1CCCO1 ZINC000775787969 585684990 /nfs/dbraw/zinc/68/49/90/585684990.db2.gz CAYXUPAWPPLCHZ-ZIAGYGMSSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@H](NCC1(O)CCCCC1)[C@@H]1CCCO1 ZINC000775799667 585685049 /nfs/dbraw/zinc/68/50/49/585685049.db2.gz LNNUYNFUUWDQAB-STQMWFEESA-N 0 3 237.343 1.452 20 30 BDEDHN CC(C#N)C(=O)NC[Si](C)(C)c1ccccc1 ZINC000776224795 585693716 /nfs/dbraw/zinc/69/37/16/585693716.db2.gz BJLYNWSATHVPEM-LLVKDONJSA-N 0 3 246.386 1.417 20 30 BDEDHN C[C@@H]1CCCN1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000776965726 585706956 /nfs/dbraw/zinc/70/69/56/585706956.db2.gz BPAQYXWZGQELLK-SNVBAGLBSA-N 0 3 246.314 1.100 20 30 BDEDHN N#CCN1CCC(NCc2ccc(F)nc2)CC1 ZINC000778167919 585726548 /nfs/dbraw/zinc/72/65/48/585726548.db2.gz UAZDXPFHIQAGQI-UHFFFAOYSA-N 0 3 248.305 1.298 20 30 BDEDHN CC(C)OCCN=NC1CN(C2CC2)C[C@@H]1C ZINC000778546466 585736947 /nfs/dbraw/zinc/73/69/47/585736947.db2.gz JISMNEDJBGHHPX-NSHDSACASA-N 0 3 239.363 1.471 20 30 BDEDHN CO[C@@]1(C)CC(=NNC2=N[C@H](C)CN2)C1(C)C ZINC000779795708 585764288 /nfs/dbraw/zinc/76/42/88/585764288.db2.gz WZLPNJBRKIMRQF-PELKAZGASA-N 0 3 238.335 1.115 20 30 BDEDHN CO[C@@]1(C)CC(=NNC2=N[C@@H](C)CN2)C1(C)C ZINC000779795711 585764465 /nfs/dbraw/zinc/76/44/65/585764465.db2.gz WZLPNJBRKIMRQF-UFBFGSQYSA-N 0 3 238.335 1.115 20 30 BDEDHN C#C[C@H](NC[C@@H](OCC)C1CC1)[C@H]1CCCO1 ZINC000859258281 589025232 /nfs/dbraw/zinc/02/52/32/589025232.db2.gz LVWWPSFFKUBLAY-BFHYXJOUSA-N 0 3 237.343 1.572 20 30 BDEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccncc1 ZINC000779807257 585765355 /nfs/dbraw/zinc/76/53/55/585765355.db2.gz PZEOERUBVUTEGB-JTQLQIEISA-N 0 3 230.315 1.386 20 30 BDEDHN C[C@@H]1CC(=NN[C@H]2CCCOC2)CCN1C ZINC000780250936 585774880 /nfs/dbraw/zinc/77/48/80/585774880.db2.gz LYQHDWCUISAMPS-PWSUYJOCSA-N 0 3 225.336 1.225 20 30 BDEDHN N#Cc1ccc(CNCC[C@@H]2CCOC2)nc1 ZINC000783702717 585840536 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C#CCN1CC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001028372949 635663020 /nfs/dbraw/zinc/66/30/20/635663020.db2.gz CSPZQKPHSCWXOH-ZDUSSCGKSA-N 0 3 248.370 1.638 20 30 BDEDHN C#CCN1CC[C@@H](CNC(=O)c2cccs2)C1 ZINC001028384590 635664664 /nfs/dbraw/zinc/66/46/64/635664664.db2.gz PFJFGBUGYMZRFM-NSHDSACASA-N 0 3 248.351 1.433 20 30 BDEDHN CC#CCN1CC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001028457759 635683009 /nfs/dbraw/zinc/68/30/09/635683009.db2.gz HEPJYUQJZWFQNH-CYBMUJFWSA-N 0 3 246.354 1.414 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC000972089181 631761065 /nfs/dbraw/zinc/76/10/65/631761065.db2.gz DOPYJWPNZKKQTC-WDEREUQCSA-N 0 3 228.311 1.453 20 30 BDEDHN C=CC[C@H]1CCN1[C@@H]1CCN(CC)C1=O ZINC000934459301 631847794 /nfs/dbraw/zinc/84/77/94/631847794.db2.gz HXOJZOUKEQORKX-WDEREUQCSA-N 0 3 208.305 1.258 20 30 BDEDHN C=CC[C@@H]1CCN1[C@@H]1CCN(CC)C1=O ZINC000934459297 631848238 /nfs/dbraw/zinc/84/82/38/631848238.db2.gz HXOJZOUKEQORKX-GHMZBOCLSA-N 0 3 208.305 1.258 20 30 BDEDHN C=CC[C@H]1CCN1[C@H](C)C(=O)NC(C)(C)C ZINC000934472432 631866796 /nfs/dbraw/zinc/86/67/96/631866796.db2.gz QNILXFHISJNYQM-MNOVXSKESA-N 0 3 224.348 1.940 20 30 BDEDHN C#Cc1ccc(CNCC[S@](C)=O)cc1 ZINC000309080867 631875029 /nfs/dbraw/zinc/87/50/29/631875029.db2.gz PJCHNQDYTRATGV-HNNXBMFYSA-N 0 3 221.325 1.136 20 30 BDEDHN C#C[C@H]1CCCCN1CCc1cnn(C)c1 ZINC000934512189 631894759 /nfs/dbraw/zinc/89/47/59/631894759.db2.gz FZHWYVQSHUVQOV-ZDUSSCGKSA-N 0 3 217.316 1.450 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000972255703 631900045 /nfs/dbraw/zinc/90/00/45/631900045.db2.gz YDEKSXJKECQYMS-SNVBAGLBSA-N 0 3 246.301 1.750 20 30 BDEDHN C#CCN1CC[C@@H](CNC(=O)c2cocc2C)C1 ZINC001028739185 635811311 /nfs/dbraw/zinc/81/13/11/635811311.db2.gz MBFRUQSSGGWGOH-LBPRGKRZSA-N 0 3 246.310 1.273 20 30 BDEDHN C#C[C@@H](NCCOC1CCC1)[C@@H]1CCCO1 ZINC000309532229 632473297 /nfs/dbraw/zinc/47/32/97/632473297.db2.gz DJCRWPCVLNGDDB-OLZOCXBDSA-N 0 3 223.316 1.326 20 30 BDEDHN C#C[C@@H](NCCOC1CCC1)[C@H]1CCCO1 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635353189 /nfs/dbraw/zinc/35/31/89/635353189.db2.gz QAYKDHMZLYJRKO-AVGNSLFASA-N 0 3 236.359 1.799 20 30 BDEDHN CC#CCN1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001028480418 635691172 /nfs/dbraw/zinc/69/11/72/635691172.db2.gz YSOMEIYQGUSGAW-CYBMUJFWSA-N 0 3 246.354 1.558 20 30 BDEDHN C#CCCN1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001006968010 635846268 /nfs/dbraw/zinc/84/62/68/635846268.db2.gz HRNZTEBXHNGTNM-AWEZNQCLSA-N 0 3 246.354 1.557 20 30 BDEDHN CC(C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540746 635866071 /nfs/dbraw/zinc/86/60/71/635866071.db2.gz ZEQZYYHFWXRTSO-LBPRGKRZSA-N 0 3 244.294 1.668 20 30 BDEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928436964 635931120 /nfs/dbraw/zinc/93/11/20/635931120.db2.gz QADNQLMOEAJMBP-PELKAZGASA-N 0 3 247.298 1.282 20 30 BDEDHN CCC(C#N)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928800782 636366623 /nfs/dbraw/zinc/36/66/23/636366623.db2.gz PEQUSGSNPLROFT-NKWVEPMBSA-N 0 3 233.193 1.497 20 30 BDEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2occc2C)C1 ZINC000988087632 636677544 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BDEDHN C=CCN(CC)CCNC(=O)C1CC(C)C1 ZINC001317476294 991250165 /nfs/dbraw/zinc/25/01/65/991250165.db2.gz VACXGRPLWLXFDF-UHFFFAOYSA-N 0 3 224.348 1.657 20 30 BDEDHN N#Cc1cccc2c(CN3CC[C@@H](O)C3)c[nH]c21 ZINC001139702289 991332408 /nfs/dbraw/zinc/33/24/08/991332408.db2.gz YXPMRBHYHJXKHW-GFCCVEGCSA-N 0 3 241.294 1.606 20 30 BDEDHN Cc1ccc(CN2CC(C3COC3)C2)cc1C#N ZINC001139723271 991341256 /nfs/dbraw/zinc/34/12/56/991341256.db2.gz YIOCBQMJBXGRSB-UHFFFAOYSA-N 0 3 242.322 1.945 20 30 BDEDHN C=CCn1cc(CN2CCC(COC)CC2)cn1 ZINC001139766623 991361643 /nfs/dbraw/zinc/36/16/43/991361643.db2.gz RLNXZRSZVHTADX-UHFFFAOYSA-N 0 3 249.358 1.928 20 30 BDEDHN C=CCn1cc(CN2C[C@H](CO)CC[C@@H]2C)cn1 ZINC001139765838 991362134 /nfs/dbraw/zinc/36/21/34/991362134.db2.gz IBFYLZQCTJTLDY-QWHCGFSZSA-N 0 3 249.358 1.662 20 30 BDEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)CC)[C@H]1C ZINC001316775991 991419196 /nfs/dbraw/zinc/41/91/96/991419196.db2.gz OJPGWRQXFGJKRH-UTUOFQBUSA-N 0 3 224.348 1.798 20 30 BDEDHN CC#CCN(C)CCCNC(=O)C1CC(C)C1 ZINC001316816918 991422287 /nfs/dbraw/zinc/42/22/87/991422287.db2.gz DPCYQIWGPLUFDO-UHFFFAOYSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)CC=C)C1 ZINC001316988746 991437156 /nfs/dbraw/zinc/43/71/56/991437156.db2.gz XNFOMMXNPXQKOB-CYBMUJFWSA-N 0 3 248.370 1.803 20 30 BDEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCC)C1 ZINC001317207375 991462366 /nfs/dbraw/zinc/46/23/66/991462366.db2.gz JKUVMMZDZWEFBW-STQMWFEESA-N 0 3 236.359 1.636 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)[C@H](C)CSC ZINC001317229811 991470149 /nfs/dbraw/zinc/47/01/49/991470149.db2.gz QLNUKGDDPLMGFU-GHMZBOCLSA-N 0 3 242.388 1.103 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)CCc1ccoc1 ZINC001317235696 991471341 /nfs/dbraw/zinc/47/13/41/991471341.db2.gz TYYAANXXOSBKEJ-LBPRGKRZSA-N 0 3 248.326 1.330 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)CCc1ccoc1 ZINC001317235694 991472892 /nfs/dbraw/zinc/47/28/92/991472892.db2.gz TYYAANXXOSBKEJ-GFCCVEGCSA-N 0 3 248.326 1.330 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)CCCC ZINC001317439061 991505471 /nfs/dbraw/zinc/50/54/71/991505471.db2.gz LRMGYAXLZJROPS-UHFFFAOYSA-N 0 3 212.337 1.801 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](C)OC ZINC001317441051 991512186 /nfs/dbraw/zinc/51/21/86/991512186.db2.gz YLIJIMCZHAKYBE-LLVKDONJSA-N 0 3 228.336 1.036 20 30 BDEDHN C=CCN1CCC[C@H]1CNC(=O)CC1CCC1 ZINC001317499117 991542699 /nfs/dbraw/zinc/54/26/99/991542699.db2.gz ZCHUBJFVSAGAKM-ZDUSSCGKSA-N 0 3 236.359 1.943 20 30 BDEDHN C#CCNCCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001317652133 991572808 /nfs/dbraw/zinc/57/28/08/991572808.db2.gz ZIARNEUQZONSKB-ZDUSSCGKSA-N 0 3 238.375 1.740 20 30 BDEDHN [O-]c1cnccc1C[NH+]1CCC(S)CC1 ZINC001140276351 991586096 /nfs/dbraw/zinc/58/60/96/991586096.db2.gz ACCAIGRKPQSGGF-UHFFFAOYSA-N 0 3 224.329 1.681 20 30 BDEDHN C#CCCN1CC(CNC(=O)/C=C(\C)CC)C1 ZINC001318119230 991627251 /nfs/dbraw/zinc/62/72/51/991627251.db2.gz PNHHIELQSMINSQ-XYOKQWHBSA-N 0 3 234.343 1.414 20 30 BDEDHN C#CCCN1CC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001318326209 991648812 /nfs/dbraw/zinc/64/88/12/991648812.db2.gz NABQVTRHUKEXMN-CQSZACIVSA-N 0 3 248.370 1.947 20 30 BDEDHN C[C@@]1(O)CCCN(Cc2ccc(C#N)nc2)CC1 ZINC001140540074 991664471 /nfs/dbraw/zinc/66/44/71/991664471.db2.gz INTYVOMVWGQCHK-CQSZACIVSA-N 0 3 245.326 1.690 20 30 BDEDHN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)cn1 ZINC001140540496 991664941 /nfs/dbraw/zinc/66/49/41/991664941.db2.gz YFSRVDGBUYWKMC-CQSZACIVSA-N 0 3 243.310 1.566 20 30 BDEDHN COC[C@@H]1CCN(Cc2ccc(C#N)nc2)C1 ZINC001140539917 991665726 /nfs/dbraw/zinc/66/57/26/991665726.db2.gz CUOFJZJEPLHBCV-GFCCVEGCSA-N 0 3 231.299 1.422 20 30 BDEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC001566658293 991863720 /nfs/dbraw/zinc/86/37/20/991863720.db2.gz SHJWHYAZTUUQKS-NEPJUHHUSA-N 0 3 240.347 1.178 20 30 BDEDHN C=CCCCN1CC[C@H](NC(=O)c2cocn2)C1 ZINC001566658176 991865835 /nfs/dbraw/zinc/86/58/35/991865835.db2.gz OBECOPZUDLFKHE-NSHDSACASA-N 0 3 249.314 1.445 20 30 BDEDHN C=CCN1CCCC[C@H]1CNC(=O)CCOC ZINC001566916424 991890033 /nfs/dbraw/zinc/89/00/33/991890033.db2.gz MDFCIVDCODEBEK-LBPRGKRZSA-N 0 3 240.347 1.180 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)CO[C@H](C)CC ZINC001567277855 991998523 /nfs/dbraw/zinc/99/85/23/991998523.db2.gz QLNXWBLHIOJAPK-GFCCVEGCSA-N 0 3 242.363 1.426 20 30 BDEDHN C=CCN(C)CCNC(=O)[C@H](C)C(C)C ZINC001567307198 992008352 /nfs/dbraw/zinc/00/83/52/992008352.db2.gz RERGREODEHOQBX-LLVKDONJSA-N 0 3 212.337 1.513 20 30 BDEDHN CC#CCN1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001567418743 992035956 /nfs/dbraw/zinc/03/59/56/992035956.db2.gz ZWTOTXGAZPFDMS-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1C ZINC001567422341 992036101 /nfs/dbraw/zinc/03/61/01/992036101.db2.gz XXFYVXUWHNTGGT-CHWSQXEVSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(CCC)CCNC(=O)c1oncc1C ZINC001567431512 992040286 /nfs/dbraw/zinc/04/02/86/992040286.db2.gz IBIYPMGYBHSPHT-UHFFFAOYSA-N 0 3 249.314 1.058 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)c1ccccn1 ZINC001319967042 992045442 /nfs/dbraw/zinc/04/54/42/992045442.db2.gz TYFXLDYQKJGGDM-UHFFFAOYSA-N 0 3 245.326 1.109 20 30 BDEDHN C#CCCN1CCC[C@H](NC(=O)CCCF)C1 ZINC001567776535 992086480 /nfs/dbraw/zinc/08/64/80/992086480.db2.gz ZJOXUEDLKNKOSP-LBPRGKRZSA-N 0 3 240.322 1.340 20 30 BDEDHN C#CCCN1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001567869830 992108663 /nfs/dbraw/zinc/10/86/63/992108663.db2.gz PVFZFSLSGOTUNS-VIFPVBQESA-N 0 3 248.248 1.153 20 30 BDEDHN C#CCCN1CC[C@H](N(C)C(=O)CCC2CC2)C1 ZINC001567905641 992113640 /nfs/dbraw/zinc/11/36/40/992113640.db2.gz BMUYYRLJTFTTFT-AWEZNQCLSA-N 0 3 248.370 1.733 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)CCC1CC1 ZINC001568476548 992173476 /nfs/dbraw/zinc/17/34/76/992173476.db2.gz CTZTWJYMCVQXIN-UHFFFAOYSA-N 0 3 236.359 1.590 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)C1(C)CC=CC1 ZINC001568494503 992176706 /nfs/dbraw/zinc/17/67/06/992176706.db2.gz CIBPGZVLWDYTSQ-UHFFFAOYSA-N 0 3 236.359 1.919 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)C(C)C ZINC001568498144 992178634 /nfs/dbraw/zinc/17/86/34/992178634.db2.gz YODKSLHCZBAFIZ-ZDUSSCGKSA-N 0 3 238.375 1.692 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(C)C ZINC001568500608 992179982 /nfs/dbraw/zinc/17/99/82/992179982.db2.gz SBFBDNOPVHDOJH-QWHCGFSZSA-N 0 3 238.375 1.855 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)Cc1ccccc1 ZINC001568486668 992180143 /nfs/dbraw/zinc/18/01/43/992180143.db2.gz CJUMCWHYSVRDIG-UHFFFAOYSA-N 0 3 246.354 1.805 20 30 BDEDHN C#CCNCCN(CC)C(=O)C1(CC)CC1 ZINC001568773328 992215866 /nfs/dbraw/zinc/21/58/66/992215866.db2.gz UKAIGEITDWKPEG-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN C#CCNCCN(CC)C(=O)C1CC2(CC2)C1 ZINC001568775233 992218366 /nfs/dbraw/zinc/21/83/66/992218366.db2.gz PZBBNXHAADLFDP-UHFFFAOYSA-N 0 3 234.343 1.248 20 30 BDEDHN C#CCNC/C=C\CNC(=O)CC[C@H](C)CC ZINC001568937274 992243679 /nfs/dbraw/zinc/24/36/79/992243679.db2.gz KYYHNDKSPAQPCM-FMFIFOJESA-N 0 3 236.359 1.708 20 30 BDEDHN C#CCOCCN(C)CCn1cc(Cl)cn1 ZINC001261297877 992258643 /nfs/dbraw/zinc/25/86/43/992258643.db2.gz RFQJIOVGOZKDJY-UHFFFAOYSA-N 0 3 241.722 1.118 20 30 BDEDHN C#CCN(CC1CC1)C(=O)[C@H](CC)N(C)C ZINC001261365444 992280869 /nfs/dbraw/zinc/28/08/69/992280869.db2.gz OVEBHVLNSOREAE-LBPRGKRZSA-N 0 3 222.332 1.198 20 30 BDEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)OC ZINC001569349833 992362242 /nfs/dbraw/zinc/36/22/42/992362242.db2.gz ZXPSPDRFEATWMB-NWDGAFQWSA-N 0 3 240.347 1.178 20 30 BDEDHN C#CCNC1(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001569415500 992393276 /nfs/dbraw/zinc/39/32/76/992393276.db2.gz HZAWUIWALIHQBG-CHWSQXEVSA-N 0 3 248.370 1.684 20 30 BDEDHN CC#CCNC/C=C\CNC(=O)CCC1CCC1 ZINC001321009746 992430455 /nfs/dbraw/zinc/43/04/55/992430455.db2.gz CBVUFTBQNKFYLL-PLNGDYQASA-N 0 3 248.370 1.852 20 30 BDEDHN CC#CCN1CCC[C@@H](NC(=O)C=C(C)C)CC1 ZINC001570168712 992445504 /nfs/dbraw/zinc/44/55/04/992445504.db2.gz JGCVFTXEDZPPCL-CQSZACIVSA-N 0 3 248.370 1.947 20 30 BDEDHN C#CCNC/C=C\CNC(=O)[C@@H](C)C1CCC1 ZINC001321107999 992457004 /nfs/dbraw/zinc/45/70/04/992457004.db2.gz DFHLEJOCQDYZAP-RXNFCKPNSA-N 0 3 234.343 1.318 20 30 BDEDHN CC#CCN[C@@H](C)CN(C)C(=O)/C=C(\C)C1CC1 ZINC001571378296 992546008 /nfs/dbraw/zinc/54/60/08/992546008.db2.gz BNAAEDOGKDMTML-XSNHNAGMSA-N 0 3 248.370 1.803 20 30 BDEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCCF)C1 ZINC001571404418 992550126 /nfs/dbraw/zinc/55/01/26/992550126.db2.gz LAVAHDFQYYTILS-NSHDSACASA-N 0 3 242.338 1.749 20 30 BDEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001571406709 992551678 /nfs/dbraw/zinc/55/16/78/992551678.db2.gz HUXIMDFSUTYVBD-RYUDHWBXSA-N 0 3 234.343 1.246 20 30 BDEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)/C(C)=C/C)C1 ZINC001571474349 992566420 /nfs/dbraw/zinc/56/64/20/992566420.db2.gz DDZZCSYTZJFGBT-WXYBXBMJSA-N 0 3 234.343 1.555 20 30 BDEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001571497047 992566563 /nfs/dbraw/zinc/56/65/63/992566563.db2.gz LOJAOCWDWSBIJK-YRGRVCCFSA-N 0 3 247.342 1.445 20 30 BDEDHN CCc1ccc([C@@H](C#N)NC(=O)C2(N)CC2)cc1 ZINC001573827908 992724323 /nfs/dbraw/zinc/72/43/23/992724323.db2.gz PDDSLWZRQDNSGT-GFCCVEGCSA-N 0 3 243.310 1.421 20 30 BDEDHN C#CCCCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001574544298 992869224 /nfs/dbraw/zinc/86/92/24/992869224.db2.gz AOGYYTNHWNYQQO-GHMZBOCLSA-N 0 3 226.295 1.078 20 30 BDEDHN C#Cc1ccc(NC[C@@H]2COC(C)(C)N2)cc1 ZINC001574756746 992898261 /nfs/dbraw/zinc/89/82/61/992898261.db2.gz GAJNBLHJGTTWND-CYBMUJFWSA-N 0 3 230.311 1.804 20 30 BDEDHN C=CCCC[C@H](N)C(=O)NC1(CC)CC1 ZINC001574903197 992933439 /nfs/dbraw/zinc/93/34/39/992933439.db2.gz MSWDUTAZOHJLMW-JTQLQIEISA-N 0 3 210.321 1.729 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)NC/C=C/C1CC1 ZINC001574908717 992940505 /nfs/dbraw/zinc/94/05/05/992940505.db2.gz WKRKSBHQBFAOSR-BTDICHCPSA-N 0 3 222.332 1.752 20 30 BDEDHN C=CCO[C@@H]1CCN(C(=O)[C@H](N)CCCC)C1 ZINC001574943480 992944446 /nfs/dbraw/zinc/94/44/46/992944446.db2.gz OBDNVYAKWBFEGY-VXGBXAGGSA-N 0 3 240.347 1.307 20 30 BDEDHN C=C(C)CCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC001262623383 992974747 /nfs/dbraw/zinc/97/47/47/992974747.db2.gz AUYZXDQKTBVSCJ-UHFFFAOYSA-N 0 3 226.320 1.485 20 30 BDEDHN C[C@H]1C[C@H](Nc2nnccc2C#N)CN1C1CC1 ZINC001262686384 993026825 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/nfs/dbraw/zinc/99/05/68/347990568.db2.gz FHTDKXITSPXGDJ-LLVKDONJSA-N 0 3 208.305 1.527 20 30 BDEDHN CN(C[C@@H]1CCCN1C)C(=O)CCCCC#N ZINC000594051659 347992828 /nfs/dbraw/zinc/99/28/28/347992828.db2.gz USNTXUYGIYXQTN-LBPRGKRZSA-N 0 3 237.347 1.623 20 30 BDEDHN N#CCCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594285732 348030339 /nfs/dbraw/zinc/03/03/39/348030339.db2.gz AXFVYQAWKOJBPA-CYBMUJFWSA-N 0 3 249.358 1.671 20 30 BDEDHN C[C@H]1CCN(CC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000594339536 348036073 /nfs/dbraw/zinc/03/60/73/348036073.db2.gz QVQPXWBQHACTIM-GXTWGEPZSA-N 0 3 249.358 1.480 20 30 BDEDHN CCC(C)(C)N1CCN(C(=O)C(C)C#N)CC1 ZINC000594389898 348041433 /nfs/dbraw/zinc/04/14/33/348041433.db2.gz PRUDFNQTBIYVMK-NSHDSACASA-N 0 3 237.347 1.479 20 30 BDEDHN CC[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594427422 348043822 /nfs/dbraw/zinc/04/38/22/348043822.db2.gz UHKSOMSFNQRXQT-VHSXEESVSA-N 0 3 211.309 1.312 20 30 BDEDHN C[C@@H](C1CC1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594429341 348044661 /nfs/dbraw/zinc/04/46/61/348044661.db2.gz SDJKBARAFVZEKD-JQWIXIFHSA-N 0 3 237.347 1.655 20 30 BDEDHN N#CCCCC[C@@H](N)C(=O)NC(C1CC1)C1CC1 ZINC000594427834 348044748 /nfs/dbraw/zinc/04/47/48/348044748.db2.gz KCMBCPMDFZGSHU-GFCCVEGCSA-N 0 3 249.358 1.702 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)NC(C1CC1)C1CC1 ZINC000594427835 348044835 /nfs/dbraw/zinc/04/48/35/348044835.db2.gz KCMBCPMDFZGSHU-LBPRGKRZSA-N 0 3 249.358 1.702 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)NC1CCCCC1 ZINC000594427906 348045184 /nfs/dbraw/zinc/04/51/84/348045184.db2.gz XHRBTXNVFQDUJZ-LBPRGKRZSA-N 0 3 237.347 1.847 20 30 BDEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594431701 348045453 /nfs/dbraw/zinc/04/54/53/348045453.db2.gz PTZMHPWHMITLJV-WDEREUQCSA-N 0 3 223.320 1.266 20 30 BDEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594430628 348046051 /nfs/dbraw/zinc/04/60/51/348046051.db2.gz AAHHZAALGPPARF-ZYHUDNBSSA-N 0 3 237.347 1.560 20 30 BDEDHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594431406 348046058 /nfs/dbraw/zinc/04/60/58/348046058.db2.gz MALULGUVQQGBMD-QJPTWQEYSA-N 0 3 239.363 1.948 20 30 BDEDHN CC(C)CCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594426206 348052093 /nfs/dbraw/zinc/05/20/93/348052093.db2.gz DHFFLLHBEXQDOP-LBPRGKRZSA-N 0 3 239.363 1.902 20 30 BDEDHN Cc1ncccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594441856 348054830 /nfs/dbraw/zinc/05/48/30/348054830.db2.gz XICNGIQFIBJTGM-NSHDSACASA-N 0 3 246.314 1.740 20 30 BDEDHN CN(CCC1CC1)C(=O)[C@H](N)CCCCC#N ZINC000594443183 348054898 /nfs/dbraw/zinc/05/48/98/348054898.db2.gz NMOUOOIMDRFEPT-GFCCVEGCSA-N 0 3 237.347 1.656 20 30 BDEDHN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000594445981 348055608 /nfs/dbraw/zinc/05/56/08/348055608.db2.gz OJDGELOIKMNJFE-TUAOUCFPSA-N 0 3 237.347 1.797 20 30 BDEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccn1 ZINC000594446563 348055626 /nfs/dbraw/zinc/05/56/26/348055626.db2.gz VENGWKQGFSUZPB-LBPRGKRZSA-N 0 3 246.314 1.162 20 30 BDEDHN COC[C@H](CCNC[C@@H](C#N)CCC#N)OC ZINC000594710178 348104274 /nfs/dbraw/zinc/10/42/74/348104274.db2.gz JCNFOXCZIJCMMJ-NEPJUHHUSA-N 0 3 239.319 1.071 20 30 BDEDHN N#CC1(c2ccc(CN[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC000594943339 348144400 /nfs/dbraw/zinc/14/44/00/348144400.db2.gz CBTIKLVQWYOHPL-OKILXGFUSA-N 0 3 242.322 1.855 20 30 BDEDHN C=CCCSCCNCc1cn[nH]c1 ZINC000594960184 348150857 /nfs/dbraw/zinc/15/08/57/348150857.db2.gz MOSQBKQFSJSJCI-UHFFFAOYSA-N 0 3 211.334 1.809 20 30 BDEDHN N#CC1(c2ccc(CNCCO)cc2)CC1 ZINC000594917253 348152808 /nfs/dbraw/zinc/15/28/08/348152808.db2.gz IKAKPSCWCMTIJR-UHFFFAOYSA-N 0 3 216.284 1.324 20 30 BDEDHN Cc1cc(CNC/C=C/CO)ccc1C#N ZINC000594973518 348162129 /nfs/dbraw/zinc/16/21/29/348162129.db2.gz DTRZJJKQLXMZIW-NSCUHMNNSA-N 0 3 216.284 1.505 20 30 BDEDHN CO[C@@]1(C)C[C@H]1NCc1cccc(C#N)c1 ZINC000594996976 348168373 /nfs/dbraw/zinc/16/83/73/348168373.db2.gz WMJFMUWKACTVNN-OLZOCXBDSA-N 0 3 216.284 1.825 20 30 BDEDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C#N)s1 ZINC000594996972 348168435 /nfs/dbraw/zinc/16/84/35/348168435.db2.gz WLMKUKKWRDCGDI-MNOVXSKESA-N 0 3 222.313 1.887 20 30 BDEDHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1 ZINC000595101421 348195193 /nfs/dbraw/zinc/19/51/93/348195193.db2.gz FNAOVHVVRCQGLF-XDTLVQLUSA-N 0 3 216.284 1.732 20 30 BDEDHN CC1(C)C[C@]1(C)NC(=O)[C@H](N)CCCCC#N ZINC000595259933 348206354 /nfs/dbraw/zinc/20/63/54/348206354.db2.gz QSHIVXHJMXTEJP-MFKMUULPSA-N 0 3 237.347 1.702 20 30 BDEDHN CC1(C)C[C@]1(C)NC(=O)[C@H](N)CCCC#N ZINC000595260141 348206636 /nfs/dbraw/zinc/20/66/36/348206636.db2.gz VZICXPCAGUQRGR-SKDRFNHKSA-N 0 3 223.320 1.312 20 30 BDEDHN N#CCCN1CCN(CCC2CCC2)CC1 ZINC000595391719 348236909 /nfs/dbraw/zinc/23/69/09/348236909.db2.gz OKZIUSMZETZGNK-UHFFFAOYSA-N 0 3 221.348 1.708 20 30 BDEDHN N#CCCN1CCN(CC2CC=CC2)CC1 ZINC000595392355 348237532 /nfs/dbraw/zinc/23/75/32/348237532.db2.gz RAOAOBVYHWTJAQ-UHFFFAOYSA-N 0 3 219.332 1.484 20 30 BDEDHN CN(Cc1cnc[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000595593329 348278382 /nfs/dbraw/zinc/27/83/82/348278382.db2.gz VCPWTDRCQYJXSU-MWLCHTKSSA-N 0 3 204.277 1.534 20 30 BDEDHN N#CC[C@@]1(O)CCN(CCCC2CCC2)C1 ZINC000595557508 348279195 /nfs/dbraw/zinc/27/91/95/348279195.db2.gz JQSOWYPFTJDLPA-CYBMUJFWSA-N 0 3 222.332 1.917 20 30 BDEDHN N#CC[C@@]1(O)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000595557980 348280135 /nfs/dbraw/zinc/28/01/35/348280135.db2.gz MUCFLYSMGGTKRJ-RBSFLKMASA-N 0 3 242.322 1.893 20 30 BDEDHN C=CCC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595616731 348288836 /nfs/dbraw/zinc/28/88/36/348288836.db2.gz WEJRMMAMSRDDHG-STQMWFEESA-N 0 3 222.332 1.939 20 30 BDEDHN CN(C[C@@H]1COCCO1)[C@H]1CC[C@@H](C#N)C1 ZINC000595736966 348319153 /nfs/dbraw/zinc/31/91/53/348319153.db2.gz OKGFPNQVLUSMEX-GRYCIOLGSA-N 0 3 224.304 1.026 20 30 BDEDHN N#Cc1ccc(CCN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595760013 348332784 /nfs/dbraw/zinc/33/27/84/348332784.db2.gz YQJLDMWMUNAPQT-LSDHHAIUSA-N 0 3 242.322 1.557 20 30 BDEDHN C[C@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000595764595 348333408 /nfs/dbraw/zinc/33/34/08/348333408.db2.gz CIRWAJDVUKFALB-SMDDNHRTSA-N 0 3 230.311 1.903 20 30 BDEDHN CN1CCN(CCCC(C)(C)C#N)CCC1=O ZINC000595790047 348345763 /nfs/dbraw/zinc/34/57/63/348345763.db2.gz ZAOXNGQRCGDPFY-UHFFFAOYSA-N 0 3 237.347 1.480 20 30 BDEDHN CN1CCC[C@@H]1CN1CC[C@](C)(C#N)C1 ZINC000595842937 348380092 /nfs/dbraw/zinc/38/00/92/348380092.db2.gz WNEIRTGRSLLCKX-VXGBXAGGSA-N 0 3 207.321 1.316 20 30 BDEDHN C=C[C@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595863219 348383553 /nfs/dbraw/zinc/38/35/53/348383553.db2.gz ABWAHOKKAYXGNM-LLVKDONJSA-N 0 3 236.271 1.274 20 30 BDEDHN CC(C)[C@@H](N)C(=O)NCCc1ccc(C#N)cc1 ZINC000595938751 348408852 /nfs/dbraw/zinc/40/88/52/348408852.db2.gz RSOUCVDTENNMTC-CYBMUJFWSA-N 0 3 245.326 1.200 20 30 BDEDHN C[C@]1(C#N)CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000595980145 348415215 /nfs/dbraw/zinc/41/52/15/348415215.db2.gz GIYMVXYYGLMXPW-CYBMUJFWSA-N 0 3 247.342 1.423 20 30 BDEDHN CC12CC(C1)CN2C(=O)[C@H](N)CCCC#N ZINC000595985360 348419128 /nfs/dbraw/zinc/41/91/28/348419128.db2.gz IBDVKWQSWWVHED-SQLBVSGCSA-N 0 3 221.304 1.018 20 30 BDEDHN Cc1cc(CNCCOCCF)ccc1C#N ZINC000596057190 348434815 /nfs/dbraw/zinc/43/48/15/348434815.db2.gz JZJKLBVUQAFSQM-UHFFFAOYSA-N 0 3 236.290 1.942 20 30 BDEDHN N#Cc1ccc(CNCCOCCF)cc1F ZINC000596057191 348434883 /nfs/dbraw/zinc/43/48/83/348434883.db2.gz KCJUWHQYNJLNIP-UHFFFAOYSA-N 0 3 240.253 1.773 20 30 BDEDHN C[C@H]1C[C@H](N(C)c2cc(C#N)cnn2)CCN1C ZINC000596137737 348448188 /nfs/dbraw/zinc/44/81/88/348448188.db2.gz VPNJWQBGCDMUMN-CMPLNLGQSA-N 0 3 245.330 1.267 20 30 BDEDHN CN(c1cc(C#N)cnn1)[C@H]1CCN(C2CC2)C1 ZINC000596123119 348454452 /nfs/dbraw/zinc/45/44/52/348454452.db2.gz OKYWRJDIEQXNMI-LBPRGKRZSA-N 0 3 243.314 1.021 20 30 BDEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C#N)nn1 ZINC000596307331 348492804 /nfs/dbraw/zinc/49/28/04/348492804.db2.gz KQONSOWDJKDKMB-NSHDSACASA-N 0 3 245.330 1.055 20 30 BDEDHN Cc1ccc(C#N)nc1N(C)C[C@@H]1CCCN1C ZINC000596278580 348495277 /nfs/dbraw/zinc/49/52/77/348495277.db2.gz OMSQAVUIWMDQLD-ZDUSSCGKSA-N 0 3 244.342 1.792 20 30 BDEDHN CC(C)(C)N1CC[C@H]1CNc1cc(C#N)cnn1 ZINC000596309882 348495943 /nfs/dbraw/zinc/49/59/43/348495943.db2.gz ZDQYPJKBAFBAJM-NSHDSACASA-N 0 3 245.330 1.055 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CCCC[C@H]1CN(C)C ZINC000597135555 348661377 /nfs/dbraw/zinc/66/13/77/348661377.db2.gz GKNZTPYMTHUIOX-RYUDHWBXSA-N 0 3 237.347 1.479 20 30 BDEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C)CC#N ZINC000596790409 348622982 /nfs/dbraw/zinc/62/29/82/348622982.db2.gz MDTLJJMPNYOEDZ-RYUDHWBXSA-N 0 3 237.347 1.527 20 30 BDEDHN C[C@@H](CC#N)C(=O)NCCN1CCC(C)CC1 ZINC000596801182 348623660 /nfs/dbraw/zinc/62/36/60/348623660.db2.gz JIXLWCPEYSPRRT-LBPRGKRZSA-N 0 3 237.347 1.384 20 30 BDEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(O)c1 ZINC000184263258 348734521 /nfs/dbraw/zinc/73/45/21/348734521.db2.gz UWJYUAHNNICFDT-NSHDSACASA-N 0 3 237.299 1.427 20 30 BDEDHN COC(=O)[C@H]1C[C@H](NCc2ccc(C#N)cc2)C1 ZINC000597244798 348688311 /nfs/dbraw/zinc/68/83/11/348688311.db2.gz RVXHOJJKZONZLM-JOCQHMNTSA-N 0 3 244.294 1.599 20 30 BDEDHN C[C@H](O)C1(NCc2cccc(C#N)c2)CC1 ZINC000597234149 348700255 /nfs/dbraw/zinc/70/02/55/348700255.db2.gz HBJOYWDWFOMXSG-JTQLQIEISA-N 0 3 216.284 1.561 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000597255959 348709906 /nfs/dbraw/zinc/70/99/06/348709906.db2.gz QPWAROOOOIQBDD-NEPJUHHUSA-N 0 3 237.347 1.336 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc(OC)c(C#N)c1 ZINC000184267476 348755374 /nfs/dbraw/zinc/75/53/74/348755374.db2.gz KOGLITBXDADNCR-CYBMUJFWSA-N 0 3 246.310 1.593 20 30 BDEDHN C=CC[C@@H](CO)NCc1cnn(C(C)(C)C)c1 ZINC000184282475 348809441 /nfs/dbraw/zinc/80/94/41/348809441.db2.gz DKIUSHXBXBLXQZ-LBPRGKRZSA-N 0 3 237.347 1.665 20 30 BDEDHN CCN(C(=O)CCCCC#N)[C@H]1CCN(C)C1 ZINC000597945248 348846854 /nfs/dbraw/zinc/84/68/54/348846854.db2.gz FQDXSAKJGJWSLB-LBPRGKRZSA-N 0 3 237.347 1.623 20 30 BDEDHN CC(C#N)C(=O)N[C@@](C)(CO)c1ccccc1 ZINC000597842237 348830817 /nfs/dbraw/zinc/83/08/17/348830817.db2.gz MVKHBKGMIQPGRR-MFKMUULPSA-N 0 3 232.283 1.170 20 30 BDEDHN CC(C#N)C(=O)N[C@](C)(CO)c1ccccc1 ZINC000597842238 348830890 /nfs/dbraw/zinc/83/08/90/348830890.db2.gz MVKHBKGMIQPGRR-ZWNOBZJWSA-N 0 3 232.283 1.170 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](C)c1ccccn1 ZINC000597866313 348831757 /nfs/dbraw/zinc/83/17/57/348831757.db2.gz WBFPVENXJUWZEI-UWVGGRQHSA-N 0 3 217.272 1.461 20 30 BDEDHN C=CCN(C(=O)C(C)C#N)[C@@H](C)COC ZINC000597952987 348848722 /nfs/dbraw/zinc/84/87/22/348848722.db2.gz ZHMPUQVPNFOAOJ-UWVGGRQHSA-N 0 3 210.277 1.196 20 30 BDEDHN CC[C@H](C(=O)N1CC(CC#N)C1)N(CC)CC ZINC000598033994 348868436 /nfs/dbraw/zinc/86/84/36/348868436.db2.gz HMLXHUJPRIBXFG-GFCCVEGCSA-N 0 3 237.347 1.479 20 30 BDEDHN CCCN1CCC[C@@H]1C(=O)N1CC(CC#N)C1 ZINC000598035662 348871815 /nfs/dbraw/zinc/87/18/15/348871815.db2.gz SRFVYQCYAWNERK-GFCCVEGCSA-N 0 3 235.331 1.233 20 30 BDEDHN CCN(C(=O)C1CCN(C)CC1)[C@@H](C)C#N ZINC000598360135 348944783 /nfs/dbraw/zinc/94/47/83/348944783.db2.gz NRKHDYJDPLYYBE-JTQLQIEISA-N 0 3 223.320 1.089 20 30 BDEDHN CC(C#N)C(=O)NCCCOC(C)(C)C ZINC000598189603 348909887 /nfs/dbraw/zinc/90/98/87/348909887.db2.gz 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353407520 /nfs/dbraw/zinc/40/75/20/353407520.db2.gz NWTQONUCPMUMJS-UHFFFAOYSA-N 0 3 224.348 1.823 20 30 BDEDHN C=CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000281760082 353450789 /nfs/dbraw/zinc/45/07/89/353450789.db2.gz GCSFMXPRFJRRIX-UHFFFAOYSA-N 0 3 242.326 1.651 20 30 BDEDHN CC[C@H](NC[C@@H](O)COC)c1ccc(C#N)cc1 ZINC000278629399 188382550 /nfs/dbraw/zinc/38/25/50/188382550.db2.gz GVZYBJMRFQSMJX-KGLIPLIRSA-N 0 3 248.326 1.606 20 30 BDEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC ZINC000134504417 353494706 /nfs/dbraw/zinc/49/47/06/353494706.db2.gz BIIGCZWDTILQEQ-AWEZNQCLSA-N 0 3 217.312 1.893 20 30 BDEDHN C=CCN1CC[C@@H](N(C)CCCC)C1=O ZINC000282070341 353462622 /nfs/dbraw/zinc/46/26/22/353462622.db2.gz STSZFULULXLENO-LLVKDONJSA-N 0 3 210.321 1.505 20 30 BDEDHN C=CCNC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135259368 353539942 /nfs/dbraw/zinc/53/99/42/353539942.db2.gz LEYWHGLCRWKAQU-JTQLQIEISA-N 0 3 210.321 1.409 20 30 BDEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CF)CC1 ZINC000287810852 353588493 /nfs/dbraw/zinc/58/84/93/353588493.db2.gz SPYONTLWLHNQRT-JTQLQIEISA-N 0 3 243.326 1.294 20 30 BDEDHN C#Cc1ccc(CN(C)[C@@H](C)CO)cc1 ZINC000289533458 353631047 /nfs/dbraw/zinc/63/10/47/353631047.db2.gz WEMMZYXIVXUFSX-NSHDSACASA-N 0 3 203.285 1.481 20 30 BDEDHN C=CC[C@@H](CO)NCc1cccc2nccn21 ZINC000184281769 353635764 /nfs/dbraw/zinc/63/57/64/353635764.db2.gz BPXBDYVZUMCCDR-NSHDSACASA-N 0 3 231.299 1.361 20 30 BDEDHN C=CC[C@H](CO)NCC1=Cc2ccccc2OC1 ZINC000184282841 353636183 /nfs/dbraw/zinc/63/61/83/353636183.db2.gz OMXWPHKLDNKQPE-CQSZACIVSA-N 0 3 245.322 1.989 20 30 BDEDHN C#CCCOc1ccc(CN[C@@H](C=C)CO)cc1 ZINC000289714371 353638457 /nfs/dbraw/zinc/63/84/57/353638457.db2.gz FEJBKPCASNTFOD-AWEZNQCLSA-N 0 3 245.322 1.725 20 30 BDEDHN C#CCOc1ccc([C@H](C)N[C@H](C=C)CO)cc1 ZINC000289956836 353643994 /nfs/dbraw/zinc/64/39/94/353643994.db2.gz WRNUNUSQCMLDTE-GXTWGEPZSA-N 0 3 245.322 1.896 20 30 BDEDHN C#CCN(C)Cc1cccc(N(C)C)c1 ZINC000136119555 353611335 /nfs/dbraw/zinc/61/13/35/353611335.db2.gz 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ZINC000343718102 353958020 /nfs/dbraw/zinc/95/80/20/353958020.db2.gz CSBSQTOPRJDGAL-JTQLQIEISA-N 0 3 246.401 1.043 20 30 BDEDHN N#Cc1c(F)cccc1N1CCN2CCC1CC2 ZINC000302750141 181074721 /nfs/dbraw/zinc/07/47/21/181074721.db2.gz GTCSNSPHTLWILY-UHFFFAOYSA-N 0 3 245.301 1.982 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344063840 354130000 /nfs/dbraw/zinc/13/00/00/354130000.db2.gz RHJMXFYBIQYKAF-PWSUYJOCSA-N 0 3 222.332 1.409 20 30 BDEDHN C=CCC[C@@H](CO)NCc1ccncc1F ZINC000449698512 202004463 /nfs/dbraw/zinc/00/44/63/202004463.db2.gz NWBKTRSWZKEMJI-NSHDSACASA-N 0 3 224.279 1.637 20 30 BDEDHN C=CCC[C@H](CO)NCc1conc1C ZINC000449699633 202004493 /nfs/dbraw/zinc/00/44/93/202004493.db2.gz RJKHERYPYSBSRU-LLVKDONJSA-N 0 3 210.277 1.400 20 30 BDEDHN CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)N(CC)CC ZINC000344245027 354189416 /nfs/dbraw/zinc/18/94/16/354189416.db2.gz IOBBXGNCGDYVGS-RYUDHWBXSA-N 0 3 239.363 1.725 20 30 BDEDHN N#Cc1cc(CN(CCO)CC2CC2)ccc1F ZINC000352492526 181084674 /nfs/dbraw/zinc/08/46/74/181084674.db2.gz ZBKDHYAIJFXVPX-UHFFFAOYSA-N 0 3 248.301 1.902 20 30 BDEDHN CC(C#N)C(=O)N(C)CCC(=O)OC(C)(C)C ZINC000344309838 354217462 /nfs/dbraw/zinc/21/74/62/354217462.db2.gz PKSNSICYFKYMTM-SECBINFHSA-N 0 3 240.303 1.336 20 30 BDEDHN COc1ccc(CNCCCC#N)cc1[N+](=O)[O-] ZINC000344327934 354224947 /nfs/dbraw/zinc/22/49/47/354224947.db2.gz KNHVFBYQPZQDOK-UHFFFAOYSA-N 0 3 249.270 1.997 20 30 BDEDHN N#Cc1ccc(CN(CCO)C2CCCC2)o1 ZINC000270992217 181102612 /nfs/dbraw/zinc/10/26/12/181102612.db2.gz ILHSCPVOJZQEJD-UHFFFAOYSA-N 0 3 234.299 1.888 20 30 BDEDHN N#Cc1ccc(CNC[C@@H](CO)C2CC2)s1 ZINC000309498842 181107968 /nfs/dbraw/zinc/10/79/68/181107968.db2.gz KZENYTKMGOWLKU-JTQLQIEISA-N 0 3 236.340 1.728 20 30 BDEDHN N#Cc1ccc(CNCCCC(=O)NC2CC2)o1 ZINC000135149419 181108463 /nfs/dbraw/zinc/10/84/63/181108463.db2.gz OPDXDFIOVAYNBG-UHFFFAOYSA-N 0 3 247.298 1.300 20 30 BDEDHN N#CCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000332416857 134004796 /nfs/dbraw/zinc/00/47/96/134004796.db2.gz QQRGYSQDYKZDTG-ZDUSSCGKSA-N 0 3 249.358 1.813 20 30 BDEDHN N#Cc1ccc(CNC[C@H]2CCCOC2)o1 ZINC000135482495 181109458 /nfs/dbraw/zinc/10/94/58/181109458.db2.gz XGEDMZXRURFHQF-SNVBAGLBSA-N 0 3 220.272 1.667 20 30 BDEDHN N#Cc1ccc(CNC2(CO)CC2)s1 ZINC000120364027 181107339 /nfs/dbraw/zinc/10/73/39/181107339.db2.gz FWLNTRASDNACHJ-UHFFFAOYSA-N 0 3 208.286 1.234 20 30 BDEDHN CC[C@@H](C#N)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000344803389 354377997 /nfs/dbraw/zinc/37/79/97/354377997.db2.gz LEYKFWJOMXOEKD-RYUDHWBXSA-N 0 3 235.331 1.279 20 30 BDEDHN N#Cc1ccc(OCCN2CCC[C@H]2CO)cc1 ZINC000048860255 181127668 /nfs/dbraw/zinc/12/76/68/181127668.db2.gz HRHFMKTUUIVOPJ-ZDUSSCGKSA-N 0 3 246.310 1.394 20 30 BDEDHN N#Cc1cccc(CNCCC2(O)CCC2)c1 ZINC000284156561 181138393 /nfs/dbraw/zinc/13/83/93/181138393.db2.gz WCCYREAXYHQFOT-UHFFFAOYSA-N 0 3 230.311 1.953 20 30 BDEDHN C=CC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000334738214 354541389 /nfs/dbraw/zinc/54/13/89/354541389.db2.gz YFHBVQXANOUTJN-LLVKDONJSA-N 0 3 208.305 1.163 20 30 BDEDHN CCC(=O)[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000334767068 354588235 /nfs/dbraw/zinc/58/82/35/354588235.db2.gz RPLYVPOBCWDCMF-ZJUUUORDSA-N 0 3 222.288 1.506 20 30 BDEDHN N#Cc1ccccc1OCCN1CC[C@@H](O)C1 ZINC000061710368 181149309 /nfs/dbraw/zinc/14/93/09/181149309.db2.gz YZUNVJJOWVLGCE-GFCCVEGCSA-N 0 3 232.283 1.004 20 30 BDEDHN CC(C)[C@H]1CN(C)CCN1CC1(C#N)CCC1 ZINC000335115307 354704180 /nfs/dbraw/zinc/70/41/80/354704180.db2.gz RJFUAXVSORFTJV-CYBMUJFWSA-N 0 3 235.375 1.952 20 30 BDEDHN CC[C@@H](NC(=O)C(C)C#N)c1c(C)nn(C)c1C ZINC000345646248 354735896 /nfs/dbraw/zinc/73/58/96/354735896.db2.gz LRXVRELGMQIDAM-GZMMTYOYSA-N 0 3 248.330 1.764 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000346019656 354828016 /nfs/dbraw/zinc/82/80/16/354828016.db2.gz PNDZWADYPRNZPK-PWSUYJOCSA-N 0 3 245.282 1.221 20 30 BDEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)C ZINC000346176931 354872945 /nfs/dbraw/zinc/87/29/45/354872945.db2.gz GAPIPYMICRRMHS-PWSUYJOCSA-N 0 3 212.337 1.655 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1CCc2c1cccc2O ZINC000335143933 354850398 /nfs/dbraw/zinc/85/03/98/354850398.db2.gz SFKFRGGMTCBGFA-KWQFWETISA-N 0 3 230.267 1.655 20 30 BDEDHN CCOC[C@@H](NC(=O)C(C)C#N)C(C)C ZINC000233802124 363408916 /nfs/dbraw/zinc/40/89/16/363408916.db2.gz KYDGAWUCXDEVPE-NXEZZACHSA-N 0 3 212.293 1.323 20 30 BDEDHN N#Cc1ccncc1NCCN1CCCCC1 ZINC000125003655 181158883 /nfs/dbraw/zinc/15/88/83/181158883.db2.gz UJAWMYHFLWOSPX-UHFFFAOYSA-N 0 3 230.315 1.851 20 30 BDEDHN CC[C@H](NC(=O)C(C)C#N)c1ccncc1 ZINC000346495843 354960444 /nfs/dbraw/zinc/96/04/44/354960444.db2.gz SXTZOSSFSZEAJQ-ONGXEEELSA-N 0 3 217.272 1.809 20 30 BDEDHN Cc1nccn1CCCCNC(=O)C(C)C#N ZINC000346468945 354954748 /nfs/dbraw/zinc/95/47/48/354954748.db2.gz LHYSLYFLTVDOPY-JTQLQIEISA-N 0 3 234.303 1.248 20 30 BDEDHN C=CCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000346473940 354955962 /nfs/dbraw/zinc/95/59/62/354955962.db2.gz COKJFIGABKKQDB-NSHDSACASA-N 0 3 208.305 1.259 20 30 BDEDHN C=CCNC(=O)CN(CCC)CC(C)C ZINC000346571619 354971910 /nfs/dbraw/zinc/97/19/10/354971910.db2.gz CILSTRGEKFZXNK-UHFFFAOYSA-N 0 3 212.337 1.657 20 30 BDEDHN C=CCN(CCOCC(F)F)C1CC1 ZINC000346533115 354978273 /nfs/dbraw/zinc/97/82/73/354978273.db2.gz GYEZACDXQIEHIA-UHFFFAOYSA-N 0 3 205.248 1.919 20 30 BDEDHN N#Cc1ncccc1NC1CCN(C2CC2)CC1 ZINC000290458576 181172080 /nfs/dbraw/zinc/17/20/80/181172080.db2.gz DZZUNQDCOOYBHV-UHFFFAOYSA-N 0 3 242.326 1.992 20 30 BDEDHN Cc1ccc(N2CCN[C@H](C)C2)nc1C#N ZINC000420231546 192180439 /nfs/dbraw/zinc/18/04/39/192180439.db2.gz BWSQVMOJTSMBED-SNVBAGLBSA-N 0 3 216.288 1.060 20 30 BDEDHN N#Cc1ncn(C2CCN(CCCF)CC2)n1 ZINC000369389674 181176238 /nfs/dbraw/zinc/17/62/38/181176238.db2.gz RHBMWJBIHSYOFX-UHFFFAOYSA-N 0 3 237.282 1.146 20 30 BDEDHN C=CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC000346851316 355138070 /nfs/dbraw/zinc/13/80/70/355138070.db2.gz VXQNYRKKEKCBFA-GFCCVEGCSA-N 0 3 224.348 1.895 20 30 BDEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(CC)C1 ZINC000412878932 191326559 /nfs/dbraw/zinc/32/65/59/191326559.db2.gz 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1.479 20 30 BDEDHN CC[C@H](C(=O)N(CCC#N)CC1CC1)N(C)C ZINC000413353411 191374060 /nfs/dbraw/zinc/37/40/60/191374060.db2.gz ANZWBTRBTIPFFD-GFCCVEGCSA-N 0 3 237.347 1.479 20 30 BDEDHN Cc1cnc([C@H](C)CNC(=O)C(C)C#N)s1 ZINC000349855438 355498251 /nfs/dbraw/zinc/49/82/51/355498251.db2.gz BKEPDSSNNSQBAA-HTQZYQBOSA-N 0 3 237.328 1.831 20 30 BDEDHN C=CCOCCNCc1ccc(C(=O)OC)[nH]1 ZINC000383880371 355581151 /nfs/dbraw/zinc/58/11/51/355581151.db2.gz RMGINDSNKBJGLO-UHFFFAOYSA-N 0 3 238.287 1.094 20 30 BDEDHN Cc1cnn([C@H]2CCN(C(=O)C(C)C#N)C2)c1 ZINC000336019535 134054172 /nfs/dbraw/zinc/05/41/72/134054172.db2.gz AVJIWQOCYLXZOD-QWRGUYRKSA-N 0 3 232.287 1.125 20 30 BDEDHN C[C@H](CCC#N)N1CCC(n2cncn2)CC1 ZINC000351409835 355986644 /nfs/dbraw/zinc/98/66/44/355986644.db2.gz HVDFWERBKZVZIG-LLVKDONJSA-N 0 3 233.319 1.607 20 30 BDEDHN C[C@H](CCC#N)N1CCN(CC(C)(C)O)CC1 ZINC000351488791 355999943 /nfs/dbraw/zinc/99/99/43/355999943.db2.gz BLOZSUNMTNCYIT-GFCCVEGCSA-N 0 3 239.363 1.067 20 30 BDEDHN 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C#CCOc1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1 ZINC000897684347 584040693 /nfs/dbraw/zinc/04/06/93/584040693.db2.gz NEPVTGHTMAJCMH-IUODEOHRSA-N 0 3 245.322 1.511 20 30 BDEDHN C#CCOc1ccccc1CN1C[C@@H](C)[C@H](O)C1 ZINC000897685747 584041193 /nfs/dbraw/zinc/04/11/93/584041193.db2.gz RLGNIMQTGCFVMU-TZMCWYRMSA-N 0 3 245.322 1.511 20 30 BDEDHN Cn1cnc(CNC2CCC(C#N)CC2)c1 ZINC000898043675 584081572 /nfs/dbraw/zinc/08/15/72/584081572.db2.gz XSVCBOJJWPAKAI-UHFFFAOYSA-N 0 3 218.304 1.592 20 30 BDEDHN Cc1cc(CNC(=O)C(C)C#N)cc(Cl)n1 ZINC000898068844 584082396 /nfs/dbraw/zinc/08/23/96/584082396.db2.gz MDHOGTABBGZADN-ZETCQYMHSA-N 0 3 237.690 1.819 20 30 BDEDHN N#Cc1cccc(CN[C@@H]2COC[C@H]2C2CC2)n1 ZINC000898379125 584113147 /nfs/dbraw/zinc/11/31/47/584113147.db2.gz DNHOLXVOBRNBQT-UONOGXRCSA-N 0 3 243.310 1.468 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc(CO)c1 ZINC000858525788 588962626 /nfs/dbraw/zinc/96/26/26/588962626.db2.gz KZFWVJGHRAGNRW-RISCZKNCSA-N 0 3 248.326 1.967 20 30 BDEDHN CCn1cnc(/C=C2\C(=O)c3nccn3C2C)c1 ZINC000899392224 584211301 /nfs/dbraw/zinc/21/13/01/584211301.db2.gz OXBXRNBSMOYLAM-NJQKBMNKSA-N 0 3 242.282 1.940 20 30 BDEDHN CCn1cnc(/C=C2/C(=O)c3nccn3C2C)c1 ZINC000899392222 584211315 /nfs/dbraw/zinc/21/13/15/584211315.db2.gz OXBXRNBSMOYLAM-CAXXOGMASA-N 0 3 242.282 1.940 20 30 BDEDHN C=CCCSCCNCC[N+](=O)[O-] ZINC000899890689 584245904 /nfs/dbraw/zinc/24/59/04/584245904.db2.gz GVVXYSRVMREJEP-UHFFFAOYSA-N 0 3 204.295 1.162 20 30 BDEDHN CON(C)C(=O)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000858580653 588968828 /nfs/dbraw/zinc/96/88/28/588968828.db2.gz TVNSXARTGJAXSJ-AXFHLTTASA-N 0 3 239.319 1.067 20 30 BDEDHN C#Cc1ccc(NC[C@H](O)CN(C)C2CC2)cc1 ZINC000899918047 584251904 /nfs/dbraw/zinc/25/19/04/584251904.db2.gz IBYCQIAWYVSPPD-HNNXBMFYSA-N 0 3 244.338 1.535 20 30 BDEDHN C=CC(C)(C)CC(=O)N1CCCN(C)CC1 ZINC000899935846 584257562 /nfs/dbraw/zinc/25/75/62/584257562.db2.gz QYMNBWZWJOFSJP-UHFFFAOYSA-N 0 3 224.348 1.753 20 30 BDEDHN C#CC[C@@H]1CCCN(c2ccnc(CO)c2)C1 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585454358 /nfs/dbraw/zinc/45/43/58/585454358.db2.gz VQXYGPAZOKJYFW-NSHDSACASA-N 0 3 239.315 1.217 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccccc1 ZINC000763896746 585456423 /nfs/dbraw/zinc/45/64/23/585456423.db2.gz UDLDMNGHFSJELS-UHFFFAOYSA-N 0 3 232.327 1.763 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)c1ccccc1 ZINC000763896882 585456653 /nfs/dbraw/zinc/45/66/53/585456653.db2.gz VQOBPBISIHBJCI-UHFFFAOYSA-N 0 3 218.300 1.767 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC)CC1CC1 ZINC000763922044 585457103 /nfs/dbraw/zinc/45/71/03/585457103.db2.gz ILSFKCXHOLINIA-UHFFFAOYSA-N 0 3 224.348 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1ccccn1 ZINC000763931016 585457359 /nfs/dbraw/zinc/45/73/59/585457359.db2.gz OWXRFHSQAPXPKV-NSHDSACASA-N 0 3 233.315 1.377 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cccc(C)c1 ZINC000764137730 585460734 /nfs/dbraw/zinc/46/07/34/585460734.db2.gz QUBALMYBMAZMGF-UHFFFAOYSA-N 0 3 232.327 1.729 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1(C)CCCC1 ZINC000764506860 585466958 /nfs/dbraw/zinc/46/69/58/585466958.db2.gz LQAOMQYSGDHJFL-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)C[C@H](C)CC ZINC000764507483 585467101 /nfs/dbraw/zinc/46/71/01/585467101.db2.gz OYCJWEYXRZCSFF-SNVBAGLBSA-N 0 3 212.337 1.609 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000764584159 585468357 /nfs/dbraw/zinc/46/83/57/585468357.db2.gz CJSQVKIHLNXXIL-CYBMUJFWSA-N 0 3 238.375 1.999 20 30 BDEDHN c1csc(N2CCC(=Nn3cnnc3)CC2)n1 ZINC000764641979 585470000 /nfs/dbraw/zinc/47/00/00/585470000.db2.gz VJJPTSVPFDNXBI-UHFFFAOYSA-N 0 3 248.315 1.239 20 30 BDEDHN c1ccc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000765556110 585489595 /nfs/dbraw/zinc/48/95/95/585489595.db2.gz KVBSVXPSSJISHY-LLVKDONJSA-N 0 3 216.288 1.718 20 30 BDEDHN c1cnc(N=NC2CCN3CCC[C@@H]23)nc1 ZINC000765573381 585489916 /nfs/dbraw/zinc/48/99/16/585489916.db2.gz VDEVLTLTUYCHTF-JTQLQIEISA-N 0 3 217.276 1.113 20 30 BDEDHN CC(C#N)C(=O)NCC(C)(C)C1CCOCC1 ZINC000887392089 585501199 /nfs/dbraw/zinc/50/11/99/585501199.db2.gz ACDKWFDMNXIMSP-JTQLQIEISA-N 0 3 238.331 1.715 20 30 BDEDHN C#CCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000766907274 585511177 /nfs/dbraw/zinc/51/11/77/585511177.db2.gz XYJKUXQNNQKSMM-STQMWFEESA-N 0 3 223.316 1.280 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000767078238 585513400 /nfs/dbraw/zinc/51/34/00/585513400.db2.gz RVCJLKPGOHBKPM-ZDUSSCGKSA-N 0 3 248.370 1.636 20 30 BDEDHN CC#CCCCC(=O)NCCN1CCC[C@H]1C ZINC000767085746 585513763 /nfs/dbraw/zinc/51/37/63/585513763.db2.gz CSOZDXMNOHDKNB-CYBMUJFWSA-N 0 3 236.359 1.781 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000767092827 585513899 /nfs/dbraw/zinc/51/38/99/585513899.db2.gz YZYOJYCGFKLJTR-YPMHNXCESA-N 0 3 248.370 1.635 20 30 BDEDHN C#CCN(CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000770509999 585575271 /nfs/dbraw/zinc/57/52/71/585575271.db2.gz URMMAZYODNXDFR-SNVBAGLBSA-N 0 3 234.265 1.578 20 30 BDEDHN COc1cc(C#N)ccc1CN[C@H](CO)C1CC1 ZINC000771811149 585600638 /nfs/dbraw/zinc/60/06/38/585600638.db2.gz BNUMBEYOXAOPES-CYBMUJFWSA-N 0 3 246.310 1.427 20 30 BDEDHN C[C@H](CC#N)NN=C1CCN(C)[C@@H](C)C1 ZINC000771885043 585603467 /nfs/dbraw/zinc/60/34/67/585603467.db2.gz HZMHTYALBJTCAI-ZJUUUORDSA-N 0 3 208.309 1.348 20 30 BDEDHN C[C@@H]1CCCN1CCNc1cnc(C#N)cn1 ZINC000772090658 585608442 /nfs/dbraw/zinc/60/84/42/585608442.db2.gz IXPGAFSGUZVHRH-SNVBAGLBSA-N 0 3 231.303 1.244 20 30 BDEDHN CCC(=NNC(=N)N)c1ccc(C#N)cc1 ZINC000773035902 585629876 /nfs/dbraw/zinc/62/98/76/585629876.db2.gz YQODTOSCHCRGOL-UHFFFAOYSA-N 0 3 215.260 1.155 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773745055 585643174 /nfs/dbraw/zinc/64/31/74/585643174.db2.gz IVVIUSKIZAISJS-IUCAKERBSA-N 0 3 248.282 1.305 20 30 BDEDHN C#CC[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774131482 585651380 /nfs/dbraw/zinc/65/13/80/585651380.db2.gz UHNRGAGJMIBQSH-WDEREUQCSA-N 0 3 237.299 1.056 20 30 BDEDHN C#CCNC(=O)CN[C@@H](CC)c1ccccc1 ZINC000774847871 585667512 /nfs/dbraw/zinc/66/75/12/585667512.db2.gz OQTQDGZDKVYYBT-ZDUSSCGKSA-N 0 3 230.311 1.477 20 30 BDEDHN N#Cc1ccc(CNC[C@H]2CCC=CO2)nc1 ZINC000775097225 585672157 /nfs/dbraw/zinc/67/21/57/585672157.db2.gz OYBFVLQRKKGMFZ-CYBMUJFWSA-N 0 3 229.283 1.736 20 30 BDEDHN Cc1cc(CN2C[C@H]3C[C@@]3(CO)C2)ccc1C#N ZINC000775097715 585672277 /nfs/dbraw/zinc/67/22/77/585672277.db2.gz LIYIRCUWYVFMED-CABCVRRESA-N 0 3 242.322 1.681 20 30 BDEDHN C#C[C@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000775431437 585677772 /nfs/dbraw/zinc/67/77/72/585677772.db2.gz YVBRDRIOHYKBMR-RYUDHWBXSA-N 0 3 237.347 1.182 20 30 BDEDHN C#C[C@@H](NCCCc1ccncc1)[C@@H]1CCCO1 ZINC000775794220 585685056 /nfs/dbraw/zinc/68/50/56/585685056.db2.gz YLKDONGVHTVVHH-CABCVRRESA-N 0 3 244.338 1.785 20 30 BDEDHN C=C(C)CNC(=S)NCC1=CCN(C)CC1 ZINC000776197802 585692574 /nfs/dbraw/zinc/69/25/74/585692574.db2.gz GVFHJJYNQYJZKG-UHFFFAOYSA-N 0 3 239.388 1.289 20 30 BDEDHN C#CCCN1CCN(CCC2CC2)CC1 ZINC000776593441 585702086 /nfs/dbraw/zinc/70/20/86/585702086.db2.gz JJWXUOFGKFGPAT-UHFFFAOYSA-N 0 3 206.333 1.427 20 30 BDEDHN CN(C)c1ccncc1C=Nn1ccccc1=O ZINC000776792473 585705658 /nfs/dbraw/zinc/70/56/58/585705658.db2.gz RIYJJVSHHGWXLD-UHFFFAOYSA-N 0 3 242.282 1.192 20 30 BDEDHN C#CCCCN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000776857885 585706154 /nfs/dbraw/zinc/70/61/54/585706154.db2.gz OKKXJJABULLPPX-LLVKDONJSA-N 0 3 224.348 1.635 20 30 BDEDHN C=CCNC(=O)CN[C@H]1CCc2cc(C)ccc21 ZINC000777316766 585710202 /nfs/dbraw/zinc/71/02/02/585710202.db2.gz TVOYWHUACKLBIX-AWEZNQCLSA-N 0 3 244.338 1.874 20 30 BDEDHN CCCN1CCC[C@H]1C(=O)NC1=NO[C@@H](C)C1 ZINC000777435799 585711892 /nfs/dbraw/zinc/71/18/92/585711892.db2.gz LKKDEMRIVUTHMA-UWVGGRQHSA-N 0 3 239.319 1.099 20 30 BDEDHN CN(C1CCCC1)C(C)(C)C(=O)OCC#N ZINC000779123089 585745591 /nfs/dbraw/zinc/74/55/91/585745591.db2.gz VLFPBPJRCDKJQW-UHFFFAOYSA-N 0 3 224.304 1.706 20 30 BDEDHN CC(C#N)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000779346358 585752175 /nfs/dbraw/zinc/75/21/75/585752175.db2.gz NPWQYNZYSREWKF-FZMZJTMJSA-N 0 3 246.310 1.560 20 30 BDEDHN C=CCS(=O)(=O)C(C)C(=O)NC(C)(C)CC ZINC000779367127 585752622 /nfs/dbraw/zinc/75/26/22/585752622.db2.gz OONYUTOARDRUIO-SECBINFHSA-N 0 3 247.360 1.281 20 30 BDEDHN C[C@H]1CN=C(NN=Cc2ccsc2)N1 ZINC000779792880 585764199 /nfs/dbraw/zinc/76/41/99/585764199.db2.gz PUYHNHSMQUOIKQ-ZETCQYMHSA-N 0 3 208.290 1.019 20 30 BDEDHN C[C@H]1CNC(NN=C2CCc3ccccc3C2)=N1 ZINC000779795033 585764238 /nfs/dbraw/zinc/76/42/38/585764238.db2.gz PCUFIZSKWJWBNZ-JTQLQIEISA-N 0 3 242.326 1.469 20 30 BDEDHN COCC(=NNC1=N[C@H](C)CN1)C1CCCC1 ZINC000780242351 585774588 /nfs/dbraw/zinc/77/45/88/585774588.db2.gz CGMQTIFRDRAMDE-SECBINFHSA-N 0 3 238.335 1.116 20 30 BDEDHN N#CCC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000782087025 585807640 /nfs/dbraw/zinc/80/76/40/585807640.db2.gz AVZPVEQTBUNVAI-LBPRGKRZSA-N 0 3 236.315 1.565 20 30 BDEDHN C#CCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000782578732 585820306 /nfs/dbraw/zinc/82/03/06/585820306.db2.gz KWHDBKLAADETKW-UHFFFAOYSA-N 0 3 237.347 1.183 20 30 BDEDHN CC(C)(C#N)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782605678 585821718 /nfs/dbraw/zinc/82/17/18/585821718.db2.gz PMNPWFUWYAMOLN-CMPLNLGQSA-N 0 3 208.305 1.240 20 30 BDEDHN C[C@@H]1CNC(NN=C[C@H]2CCCC[C@H]2C)=N1 ZINC000783861970 585844998 /nfs/dbraw/zinc/84/49/98/585844998.db2.gz KCFNXXNEQRMPJH-GMTAPVOTSA-N 0 3 222.336 1.736 20 30 BDEDHN N#CC1(NC(=O)CN2CCCCCCC2)CCC1 ZINC000784331634 585855958 /nfs/dbraw/zinc/85/59/58/585855958.db2.gz ABXFPFVOUKBDNI-UHFFFAOYSA-N 0 3 249.358 1.815 20 30 BDEDHN CCN(CC)CCOC(=O)CC(C)(C)C#N ZINC000785077503 585870589 /nfs/dbraw/zinc/87/05/89/585870589.db2.gz IUCJWFIUQLRSOE-UHFFFAOYSA-N 0 3 226.320 1.811 20 30 BDEDHN C#CCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000786441546 585891610 /nfs/dbraw/zinc/89/16/10/585891610.db2.gz BPIFDHGKRIFHKY-XQQFMLRXSA-N 0 3 235.327 1.673 20 30 BDEDHN CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550182 585894926 /nfs/dbraw/zinc/89/49/26/585894926.db2.gz NLYQGBGOEIPQTE-GFCCVEGCSA-N 0 3 230.267 1.340 20 30 BDEDHN CC[C@@H](NC(=O)C(C#N)C(C)=O)c1ccccc1 ZINC000787034549 585900157 /nfs/dbraw/zinc/90/01/57/585900157.db2.gz AGOOLOJPOGAWGW-CHWSQXEVSA-N 0 3 244.294 1.983 20 30 BDEDHN CC(=NNC(=N)N)c1cnn(C(C)(C)C)c1C ZINC000787152106 585902176 /nfs/dbraw/zinc/90/21/76/585902176.db2.gz QHTMFPHDAMRFQJ-UHFFFAOYSA-N 0 3 236.323 1.154 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C ZINC000787326647 585907309 /nfs/dbraw/zinc/90/73/09/585907309.db2.gz JCDIGJFAUSLCGK-SRVKXCTJSA-N 0 3 223.316 1.672 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCCCC#N ZINC000805855755 585916716 /nfs/dbraw/zinc/91/67/16/585916716.db2.gz MXDIWEAAVNVCOQ-LLVKDONJSA-N 0 3 247.298 1.472 20 30 BDEDHN CC(C)(C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000805897989 585944481 /nfs/dbraw/zinc/94/44/81/585944481.db2.gz VAHDSYQAQYAIKN-UHFFFAOYSA-N 0 3 236.315 1.706 20 30 BDEDHN C#CCCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000791590478 585985005 /nfs/dbraw/zinc/98/50/05/585985005.db2.gz MPDHUGVFFANVNE-CHWSQXEVSA-N 0 3 223.316 1.280 20 30 BDEDHN c1ncc(N=NC2CCN3CCC[C@@H]23)cn1 ZINC000794971109 586059741 /nfs/dbraw/zinc/05/97/41/586059741.db2.gz GQFCIUUBZVXRJY-NSHDSACASA-N 0 3 217.276 1.113 20 30 BDEDHN C[C@H]1CC(N=Nc2cncnc2)CCN1C ZINC000794971962 586059775 /nfs/dbraw/zinc/05/97/75/586059775.db2.gz LLFXYZZECXFAQB-VIFPVBQESA-N 0 3 219.292 1.359 20 30 BDEDHN C#CCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796331791 586100935 /nfs/dbraw/zinc/10/09/35/586100935.db2.gz NRHZNSXGOXTCKM-UWVGGRQHSA-N 0 3 235.249 1.502 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC(F)F ZINC000796635469 586109184 /nfs/dbraw/zinc/10/91/84/586109184.db2.gz MHPKJWDFUUUCMO-ZETCQYMHSA-N 0 3 230.214 1.043 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796799944 586113113 /nfs/dbraw/zinc/11/31/13/586113113.db2.gz WGZHQAUKWAEDLJ-QJPTWQEYSA-N 0 3 242.278 1.245 20 30 BDEDHN C=CCCN1CCN(CCCCCO)CC1 ZINC000799173865 586164572 /nfs/dbraw/zinc/16/45/72/586164572.db2.gz GUCMHFTVJHZKGJ-UHFFFAOYSA-N 0 3 226.364 1.343 20 30 BDEDHN CCO[C@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638172 586173586 /nfs/dbraw/zinc/17/35/86/586173586.db2.gz QTQWTSGTWSNABL-ZJUUUORDSA-N 0 3 218.256 1.683 20 30 BDEDHN Cc1ccc([C@H](O)CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000799718463 586194329 /nfs/dbraw/zinc/19/43/29/586194329.db2.gz BOQAJJYNBCJEHG-QJPTWQEYSA-N 0 3 234.299 1.903 20 30 BDEDHN C#C[C@H](N[C@H]1CCC12CCOCC2)[C@@H]1CCCO1 ZINC000800489867 586222642 /nfs/dbraw/zinc/22/26/42/586222642.db2.gz DUYBDFVSLXNGBT-IHRRRGAJSA-N 0 3 249.354 1.716 20 30 BDEDHN CC#CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000801171974 586244673 /nfs/dbraw/zinc/24/46/73/586244673.db2.gz NALCCFNKRYVOIE-UHFFFAOYSA-N 0 3 234.343 1.487 20 30 BDEDHN C#CCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801873184 586275925 /nfs/dbraw/zinc/27/59/25/586275925.db2.gz LHIMFRSYIWJPFZ-UHFFFAOYSA-N 0 3 235.327 1.817 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000801913182 586276168 /nfs/dbraw/zinc/27/61/68/586276168.db2.gz RJMROHJMQBUYHG-NWDGAFQWSA-N 0 3 248.330 1.518 20 30 BDEDHN Cc1ccncc1[C@H](C)NCCO[C@@H](C)C#N ZINC000801938374 586279878 /nfs/dbraw/zinc/27/98/78/586279878.db2.gz FZMIYOTXETZSNG-RYUDHWBXSA-N 0 3 233.315 1.969 20 30 BDEDHN C[C@@H](C#N)OCCN[C@H](CCO)c1ccccc1 ZINC000801937459 586280150 /nfs/dbraw/zinc/28/01/50/586280150.db2.gz NODCZIRXZLVPTC-GXTWGEPZSA-N 0 3 248.326 1.628 20 30 BDEDHN C=CCN1CCN(CN2C[C@@H](C)C[C@@H]2C)C1=O ZINC000840007065 586365504 /nfs/dbraw/zinc/36/55/04/586365504.db2.gz FWHKPUSTXDHYDV-RYUDHWBXSA-N 0 3 237.347 1.598 20 30 BDEDHN C=CCN1CCN(CN2C[C@H](C)[C@H](C)C2)C1=O ZINC000840014579 586369260 /nfs/dbraw/zinc/36/92/60/586369260.db2.gz JISWAYZOQYTDAT-TXEJJXNPSA-N 0 3 237.347 1.455 20 30 BDEDHN C=CCOC(=O)CC[C@H]1CCCCN1C ZINC000803856470 586378364 /nfs/dbraw/zinc/37/83/64/586378364.db2.gz QTOGFOPUWFLZCD-LLVKDONJSA-N 0 3 211.305 1.980 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@]1(CCC)CCOC1 ZINC000804535447 586398268 /nfs/dbraw/zinc/39/82/68/586398268.db2.gz MHRMTHHQLLDAFL-ZDUSSCGKSA-N 0 3 240.347 1.180 20 30 BDEDHN C[C@H]1CC(N=N[C@@H]2CCSC2)CCN1C ZINC000808000108 586457552 /nfs/dbraw/zinc/45/75/52/586457552.db2.gz ZNUAKAXEHQMGQH-GXSJLCMTSA-N 0 3 227.377 1.552 20 30 BDEDHN CS[C@@H]1CCCCN(C[C@H](O)CC#N)C1 ZINC000809576269 586506878 /nfs/dbraw/zinc/50/68/78/586506878.db2.gz KJHXLYDOJXGKOZ-GHMZBOCLSA-N 0 3 228.361 1.478 20 30 BDEDHN CSCC[C@@H](C)N(C)C[C@H](O)CC#N ZINC000809576159 586507733 /nfs/dbraw/zinc/50/77/33/586507733.db2.gz QKMLQHLTEPEIJV-NXEZZACHSA-N 0 3 216.350 1.334 20 30 BDEDHN C#C[C@@H](C)NCc1cccc(OCCOC)c1 ZINC000809684332 586512448 /nfs/dbraw/zinc/51/24/48/586512448.db2.gz YWLVWVHJJXMOEL-GFCCVEGCSA-N 0 3 233.311 1.823 20 30 BDEDHN C[C@H](C#N)OCCN1CCC(F)(F)[C@H](C)C1 ZINC000810046360 586532484 /nfs/dbraw/zinc/53/24/84/586532484.db2.gz QXZZHZNLYXPOIM-NXEZZACHSA-N 0 3 232.274 1.892 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810532353 586540151 /nfs/dbraw/zinc/54/01/51/586540151.db2.gz SLHSCQGXZRYLEF-VIFPVBQESA-N 0 3 238.262 1.137 20 30 BDEDHN N#Cc1ccc([C@H](O)CN2CC(C3CC3)C2)cc1 ZINC000812312894 586573086 /nfs/dbraw/zinc/57/30/86/586573086.db2.gz JXICRIMLKAMHDG-OAHLLOKOSA-N 0 3 242.322 1.933 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@H](n2cccn2)C1 ZINC000812876766 586588098 /nfs/dbraw/zinc/58/80/98/586588098.db2.gz LDYBAXWFLWQLNE-RYUDHWBXSA-N 0 3 234.303 1.059 20 30 BDEDHN CON(C)C(=O)C1CCN(CCCC#N)CC1 ZINC000812870081 586588134 /nfs/dbraw/zinc/58/81/34/586588134.db2.gz VXJFRUYTBCZEEK-UHFFFAOYSA-N 0 3 239.319 1.022 20 30 BDEDHN Cc1cc(C#N)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101516 586592022 /nfs/dbraw/zinc/59/20/22/586592022.db2.gz COPPFCNZORBSKN-SECBINFHSA-N 0 3 248.238 1.689 20 30 BDEDHN C#CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104287 586592308 /nfs/dbraw/zinc/59/23/08/586592308.db2.gz LOPGEQFIPOUHEE-VIFPVBQESA-N 0 3 213.233 1.388 20 30 BDEDHN C=C(C)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110597 586593655 /nfs/dbraw/zinc/59/36/55/586593655.db2.gz FGKWBPXXPDPNHO-BDAKNGLRSA-N 0 3 215.249 1.797 20 30 BDEDHN C=CCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813113104 586593856 /nfs/dbraw/zinc/59/38/56/586593856.db2.gz AYLSRNHRODIIOB-SECBINFHSA-N 0 3 227.260 1.941 20 30 BDEDHN C#CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000813619937 586604468 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/nfs/dbraw/zinc/15/83/24/990158324.db2.gz GJMNYYJQCNEGMT-NKWVEPMBSA-N 0 3 243.669 1.998 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1CC ZINC001122173568 990276922 /nfs/dbraw/zinc/27/69/22/990276922.db2.gz KELMGXNSQAWRPG-OUAUKWLOSA-N 0 3 210.321 1.585 20 30 BDEDHN C=CC(C)(C)NC(=O)[C@@H](N)C[C@@H](C)CC ZINC001122418043 990379913 /nfs/dbraw/zinc/37/99/13/990379913.db2.gz LIDSTPYTKSUKLF-UWVGGRQHSA-N 0 3 212.337 1.831 20 30 BDEDHN C=C[C@H](CC)CC(=O)C(C#N)C(=O)NC(C)C ZINC001122453415 990390507 /nfs/dbraw/zinc/39/05/07/990390507.db2.gz ZDIFYJBFAFFAEV-GHMZBOCLSA-N 0 3 236.315 1.822 20 30 BDEDHN CC[C@H](F)C(=O)C(C#N)c1nccn1CC ZINC001123337436 990552336 /nfs/dbraw/zinc/55/23/36/990552336.db2.gz QNZMRHFMPRAYPS-IUCAKERBSA-N 0 3 223.251 1.827 20 30 BDEDHN C#CCNCCNC(=O)[C@@H](CC)CCCC ZINC001123936727 990708204 /nfs/dbraw/zinc/70/82/04/990708204.db2.gz QJLCAVXVOUCVFV-LBPRGKRZSA-N 0 3 224.348 1.542 20 30 BDEDHN C=C(CC)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC001123999236 990729911 /nfs/dbraw/zinc/72/99/11/990729911.db2.gz RSVDPMCKTZPBQF-NEPJUHHUSA-N 0 3 222.332 1.648 20 30 BDEDHN CC#CCNCCNC(=O)[C@@H](C)CCC ZINC001124953806 990813819 /nfs/dbraw/zinc/81/38/19/990813819.db2.gz VGHOKRQHJJNTQE-NSHDSACASA-N 0 3 210.321 1.152 20 30 BDEDHN C#CC1CCN(Cc2cccnc2NC)CC1 ZINC001138696451 991013415 /nfs/dbraw/zinc/01/34/15/991013415.db2.gz OCZNHCDCHADOCF-UHFFFAOYSA-N 0 3 229.327 1.969 20 30 BDEDHN Cc1ccc(C)c([C@H](C)NCC(=O)NCC#N)c1 ZINC001559720862 991229841 /nfs/dbraw/zinc/22/98/41/991229841.db2.gz WKTKBTINQQGOLW-LBPRGKRZSA-N 0 3 245.326 1.594 20 30 BDEDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC001340978667 991334933 /nfs/dbraw/zinc/33/49/33/991334933.db2.gz LFUXDJZRPWEMLF-UJPOAAIJSA-N 0 3 249.358 1.558 20 30 BDEDHN C=CCn1cc(CN2CC[C@@]3(CCOC3)C2)cn1 ZINC001139768743 991358862 /nfs/dbraw/zinc/35/88/62/991358862.db2.gz UCXAZHXXTHCNSZ-CQSZACIVSA-N 0 3 247.342 1.682 20 30 BDEDHN C=CCn1cc(CN2CCC[C@H](C)[C@H]2CO)cn1 ZINC001139766904 991360522 /nfs/dbraw/zinc/36/05/22/991360522.db2.gz YHYCMFLLXJJJSN-GXTWGEPZSA-N 0 3 249.358 1.662 20 30 BDEDHN C#CCN(CCCNC(=O)CC1CC1)C1CC1 ZINC001316911948 991428163 /nfs/dbraw/zinc/42/81/63/991428163.db2.gz KYNQLXSUKYIXGQ-UHFFFAOYSA-N 0 3 234.343 1.390 20 30 BDEDHN C#CCCN1CC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001316970358 991433022 /nfs/dbraw/zinc/43/30/22/991433022.db2.gz LMFQWNAFANZYIV-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCC)CC1 ZINC001317003692 991437295 /nfs/dbraw/zinc/43/72/95/991437295.db2.gz ZJLINNVDZKPKMP-GFCCVEGCSA-N 0 3 234.343 1.390 20 30 BDEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCC)CC1 ZINC001317003693 991438476 /nfs/dbraw/zinc/43/84/76/991438476.db2.gz ZJLINNVDZKPKMP-LBPRGKRZSA-N 0 3 234.343 1.390 20 30 BDEDHN C#CCN1CCC[C@@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317130084 991454501 /nfs/dbraw/zinc/45/45/01/991454501.db2.gz FOSFWVUMEZGHQZ-ZVHGMHCTSA-N 0 3 248.370 1.804 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](C)CC ZINC001317227433 991465870 /nfs/dbraw/zinc/46/58/70/991465870.db2.gz PDWSJRWCJMXROG-QWRGUYRKSA-N 0 3 210.321 1.150 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)CC ZINC001317227432 991464983 /nfs/dbraw/zinc/46/49/83/991464983.db2.gz PDWSJRWCJMXROG-MNOVXSKESA-N 0 3 210.321 1.150 20 30 BDEDHN CC#CC[NH2+][C@H](C)CNC(=O)c1ccccc1[O-] ZINC001317227177 991466972 /nfs/dbraw/zinc/46/69/72/991466972.db2.gz MTEYGEXILCXOJX-LLVKDONJSA-N 0 3 246.310 1.123 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001317242768 991475580 /nfs/dbraw/zinc/47/55/80/991475580.db2.gz UHZJPGDZLBTPCN-LBPRGKRZSA-N 0 3 238.375 1.786 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)c1cocc1C ZINC001317261327 991480958 /nfs/dbraw/zinc/48/09/58/991480958.db2.gz HARFOOXMWGLEKV-LLVKDONJSA-N 0 3 234.299 1.319 20 30 BDEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCCF)C1 ZINC001317299922 991490238 /nfs/dbraw/zinc/49/02/38/991490238.db2.gz QAGFRSSAQDFYMI-NSHDSACASA-N 0 3 242.338 1.749 20 30 BDEDHN C=CCN(C)CCNC(=O)[C@@H]1CCC1(F)F ZINC001317448955 991518075 /nfs/dbraw/zinc/51/80/75/991518075.db2.gz GRMFNCZBWYOMFP-VIFPVBQESA-N 0 3 232.274 1.266 20 30 BDEDHN C#CCCN(C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001317452169 991521776 /nfs/dbraw/zinc/52/17/76/991521776.db2.gz WNNWPBQAILZIEF-GFCCVEGCSA-N 0 3 238.375 1.740 20 30 BDEDHN CC#CCNCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001317601514 991565120 /nfs/dbraw/zinc/56/51/20/991565120.db2.gz XGVGUMKZNCYAAT-LBPRGKRZSA-N 0 3 238.375 1.740 20 30 BDEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001318301369 991644820 /nfs/dbraw/zinc/64/48/20/991644820.db2.gz RHEMVQXYQKRDQQ-OCCSQVGLSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CCCC(=O)N[C@@H]1CCN([C@H](C)COC)C1 ZINC001318318834 991644988 /nfs/dbraw/zinc/64/49/88/991644988.db2.gz BSICZKBHCNUJMQ-VXGBXAGGSA-N 0 3 240.347 1.178 20 30 BDEDHN CC#CC[C@@H](CO)NCc1ccc2nonc2c1 ZINC001560911071 991648156 /nfs/dbraw/zinc/64/81/56/991648156.db2.gz QXTNYFXBSQNKHK-NSHDSACASA-N 0 3 245.282 1.087 20 30 BDEDHN C[C@H]1CCCN1Cc1ccc(C#N)nc1 ZINC001140540691 991664276 /nfs/dbraw/zinc/66/42/76/991664276.db2.gz IBKOXOIOFXBYCI-JTQLQIEISA-N 0 3 201.273 1.938 20 30 BDEDHN CN(Cc1ccc(C#N)nc1)CC1CC1 ZINC001140540657 991664806 /nfs/dbraw/zinc/66/48/06/991664806.db2.gz GNSSYKVVZXVBSP-UHFFFAOYSA-N 0 3 201.273 1.795 20 30 BDEDHN C=CCC[C@@H](C)N1CCN(c2ncncn2)CC1 ZINC001258734036 991679622 /nfs/dbraw/zinc/67/96/22/991679622.db2.gz QHMBOFCDCBZJOC-GFCCVEGCSA-N 0 3 247.346 1.348 20 30 BDEDHN C=CCC1(O)CN(CC2(SC)CCC2)C1 ZINC001561048908 991704784 /nfs/dbraw/zinc/70/47/84/991704784.db2.gz HVKWMNURTDOGOZ-UHFFFAOYSA-N 0 3 227.373 1.895 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001567043765 991918378 /nfs/dbraw/zinc/91/83/78/991918378.db2.gz LSOAVLKQEQASJZ-CYBMUJFWSA-N 0 3 236.359 1.850 20 30 BDEDHN CC#CCN[C@@H](C)CNC(=O)c1cccn1CC ZINC001567079047 991939019 /nfs/dbraw/zinc/93/90/19/991939019.db2.gz NFACKWFIXFXEKM-LBPRGKRZSA-N 0 3 247.342 1.239 20 30 BDEDHN C#CCCN(C)CCNC(=O)[C@H](C)C1CC1 ZINC001567275291 991994160 /nfs/dbraw/zinc/99/41/60/991994160.db2.gz ARLJGXKVENDTSH-LLVKDONJSA-N 0 3 222.332 1.104 20 30 BDEDHN C#CCCN(C)CCNC(=O)C[C@H](C=C)CC ZINC001567299999 992008924 /nfs/dbraw/zinc/00/89/24/992008924.db2.gz XWNHETLKIPUOGH-CYBMUJFWSA-N 0 3 236.359 1.660 20 30 BDEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001567422343 992031672 /nfs/dbraw/zinc/03/16/72/992031672.db2.gz XXFYVXUWHNTGGT-QWHCGFSZSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(CCC)CCNC(=O)C#CC(C)C ZINC001567424103 992036176 /nfs/dbraw/zinc/03/61/76/992036176.db2.gz KOIQDWZNTQUQKS-UHFFFAOYSA-N 0 3 234.343 1.107 20 30 BDEDHN C#CCNCCN(C)C(=O)c1cccc(C)c1 ZINC001567461878 992043168 /nfs/dbraw/zinc/04/31/68/992043168.db2.gz OGIWRPXOYARGRK-UHFFFAOYSA-N 0 3 230.311 1.290 20 30 BDEDHN C=C(C)CN(C)CCN(C)C(=O)/C(C)=C/C ZINC001319990475 992064216 /nfs/dbraw/zinc/06/42/16/992064216.db2.gz PXZPZOUZNYDYOI-KPKJPENVSA-N 0 3 224.348 1.919 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](F)C(C)C ZINC001320034497 992082429 /nfs/dbraw/zinc/08/24/29/992082429.db2.gz LRDQYOKHQCUQFJ-LBPRGKRZSA-N 0 3 242.338 1.394 20 30 BDEDHN C=CCO[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001320063219 992092683 /nfs/dbraw/zinc/09/26/83/992092683.db2.gz JFDFNRXRQJJFTO-GFCCVEGCSA-N 0 3 240.347 1.132 20 30 BDEDHN C=CCO[C@@H]1CCN(Cc2c(C)n[nH]c2C)C1 ZINC001320091013 992100373 /nfs/dbraw/zinc/10/03/73/992100373.db2.gz GAFDEPDWGZSSLQ-GFCCVEGCSA-N 0 3 235.331 1.803 20 30 BDEDHN C#CCOCCN(C)CCOCC(F)(F)F ZINC001320281354 992153553 /nfs/dbraw/zinc/15/35/53/992153553.db2.gz GEMUZPJYWHXUSC-UHFFFAOYSA-N 0 3 239.237 1.147 20 30 BDEDHN CC(C)C[C@@H](CNCCF)NC(=O)[C@H](C)C#N ZINC001568325884 992164355 /nfs/dbraw/zinc/16/43/55/992164355.db2.gz RGMPZGIGZSCSOZ-MNOVXSKESA-N 0 3 243.326 1.236 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)C1CC=CC1 ZINC001568478017 992173963 /nfs/dbraw/zinc/17/39/63/992173963.db2.gz CDIVSPAEUMXYLI-UHFFFAOYSA-N 0 3 234.343 1.366 20 30 BDEDHN C#CCN(Cc1[nH]ncc1C)CC1CC1 ZINC001261206502 992195186 /nfs/dbraw/zinc/19/51/86/992195186.db2.gz QWNFBESUVSQQRL-UHFFFAOYSA-N 0 3 203.289 1.563 20 30 BDEDHN CC#CCNC/C=C/CNC(=O)CC1CCC1 ZINC001568833490 992227875 /nfs/dbraw/zinc/22/78/75/992227875.db2.gz XMOOOQJOEHHXRZ-SNAWJCMRSA-N 0 3 234.343 1.462 20 30 BDEDHN C=CCCC(=O)N[C@@H](C)CNCCF ZINC001569048083 992285004 /nfs/dbraw/zinc/28/50/04/992285004.db2.gz GJJZTAUSDJNOFY-VIFPVBQESA-N 0 3 202.273 1.016 20 30 BDEDHN C=C[C@H](COC)NC[C@H](O)[C@@H](C)c1ccccc1 ZINC001261436999 992306573 /nfs/dbraw/zinc/30/65/73/992306573.db2.gz RCWJJEXSBABHPF-CFVMTHIKSA-N 0 3 249.354 1.942 20 30 BDEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CC1(C)C ZINC001320715883 992329685 /nfs/dbraw/zinc/32/96/85/992329685.db2.gz YXBJLLXGPNKYRR-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN C=CCN1CCC[C@](C)(CNC(=O)CC)C1 ZINC001569708533 992417116 /nfs/dbraw/zinc/41/71/16/992417116.db2.gz BWVSDFFULVNYNP-CYBMUJFWSA-N 0 3 224.348 1.801 20 30 BDEDHN C#CC1(NC(=O)[C@@H](N)C(C)(C)C)CCCC1 ZINC001573305358 992453189 /nfs/dbraw/zinc/45/31/89/992453189.db2.gz AMSILQVOGXGPFX-SNVBAGLBSA-N 0 3 222.332 1.422 20 30 BDEDHN C#CCNC/C=C/CNC(=O)[C@@H](C)C1CCC1 ZINC001321107997 992457220 /nfs/dbraw/zinc/45/72/20/992457220.db2.gz DFHLEJOCQDYZAP-ITKZLYELSA-N 0 3 234.343 1.318 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)(C)C ZINC001573305898 992458384 /nfs/dbraw/zinc/45/83/84/992458384.db2.gz FOAFMAKKBPKDIV-GHMZBOCLSA-N 0 3 222.332 1.374 20 30 BDEDHN CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001570451408 992470574 /nfs/dbraw/zinc/47/05/74/992470574.db2.gz NOOJZTUAAOJKGO-NSHDSACASA-N 0 3 245.326 1.563 20 30 BDEDHN C#CCNC/C=C/CNC(=O)c1cc(C)co1 ZINC001321230392 992496847 /nfs/dbraw/zinc/49/68/47/992496847.db2.gz RPVKIBZOFIVNHB-SNAWJCMRSA-N 0 3 232.283 1.097 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccccc1 ZINC001570693219 992499734 /nfs/dbraw/zinc/49/97/34/992499734.db2.gz LDQYKMFRINEOMF-LBPRGKRZSA-N 0 3 232.327 1.923 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)CC(F)(F)F ZINC001570700450 992506876 /nfs/dbraw/zinc/50/68/76/992506876.db2.gz PVWZSLBCVZVCHK-QMMMGPOBSA-N 0 3 238.253 1.561 20 30 BDEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)C#N)C1 ZINC001570835797 992522699 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/nfs/dbraw/zinc/95/68/99/347956899.db2.gz HOKKHICFYCFBEV-VIFPVBQESA-N 0 3 234.303 1.518 20 30 BDEDHN CC[C@]1(NCc2ccc(C#N)cn2)CCOC1 ZINC000593978385 347986098 /nfs/dbraw/zinc/98/60/98/347986098.db2.gz VYOJBXPKLJNCAX-ZDUSSCGKSA-N 0 3 231.299 1.612 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000594387864 348040466 /nfs/dbraw/zinc/04/04/66/348040466.db2.gz HPSSXNQWIYEFLY-ZYHUDNBSSA-N 0 3 236.315 1.706 20 30 BDEDHN CC(C)(C)CCNC(=O)[C@H](N)CCCCC#N ZINC000594427211 348043914 /nfs/dbraw/zinc/04/39/14/348043914.db2.gz HAFXIUFZXPHJSX-LLVKDONJSA-N 0 3 239.363 1.950 20 30 BDEDHN CCC(CC)CNC(=O)[C@H](N)CCCCC#N ZINC000594429896 348044941 /nfs/dbraw/zinc/04/49/41/348044941.db2.gz SJBYHGPYLXIDPO-GFCCVEGCSA-N 0 3 239.363 1.950 20 30 BDEDHN CCCCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594427955 348045078 /nfs/dbraw/zinc/04/50/78/348045078.db2.gz YMQQWLAYOWEUFH-NSHDSACASA-N 0 3 225.336 1.656 20 30 BDEDHN CC[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594432152 348045584 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/nfs/dbraw/zinc/08/80/19/348088019.db2.gz ABVXDJAHMIYPLB-VIFPVBQESA-N 0 3 207.281 1.382 20 30 BDEDHN CC[C@@](C)(N)c1cn(-c2cccc(C#N)c2)nn1 ZINC000594651163 348089775 /nfs/dbraw/zinc/08/97/75/348089775.db2.gz GJXXYSFLVKXMGF-CYBMUJFWSA-N 0 3 241.298 1.723 20 30 BDEDHN CC[C@H](N)c1cn(-c2cccc(C#N)c2)nn1 ZINC000594651140 348089894 /nfs/dbraw/zinc/08/98/94/348089894.db2.gz GGZASPUMZIDVHC-NSHDSACASA-N 0 3 227.271 1.549 20 30 BDEDHN CC[C@](C)(N)c1cn(CC2(CC#N)CC2)nn1 ZINC000594652890 348091198 /nfs/dbraw/zinc/09/11/98/348091198.db2.gz VPBVYGKREZAOJN-NSHDSACASA-N 0 3 233.319 1.556 20 30 BDEDHN CC[C@@H]1C[C@@H](NCC2(CC#N)CC2)CO1 ZINC000594939097 348142513 /nfs/dbraw/zinc/14/25/13/348142513.db2.gz ZPPJLXIJCIMAKY-GHMZBOCLSA-N 0 3 208.305 1.837 20 30 BDEDHN Cc1c[nH]c(CNCCc2ccc(C#N)cc2)n1 ZINC000594955641 348149093 /nfs/dbraw/zinc/14/90/93/348149093.db2.gz QRCGJWYCJDGQPU-UHFFFAOYSA-N 0 3 240.310 1.922 20 30 BDEDHN N#CC1(c2ccc(CN[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000595000090 348168622 /nfs/dbraw/zinc/16/86/22/348168622.db2.gz CBTIKLVQWYOHPL-HDJSIYSDSA-N 0 3 242.322 1.855 20 30 BDEDHN C=CCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177016447 365956169 /nfs/dbraw/zinc/95/61/69/365956169.db2.gz ZCYGGHWKWUHWRE-NEPJUHHUSA-N 0 3 245.388 1.850 20 30 BDEDHN N#Cc1ccc2c(c1)[C@H](NC/C=C\CO)CC2 ZINC000595068567 348187379 /nfs/dbraw/zinc/18/73/79/348187379.db2.gz JCZFHELVKGXYDJ-DDGIKZQJSA-N 0 3 228.295 1.684 20 30 BDEDHN C[C@@H](NC/C=C/CO)c1ccc(C#N)c(F)c1 ZINC000595069902 348188149 /nfs/dbraw/zinc/18/81/49/348188149.db2.gz LXDUBXQPOBCMOH-VMZHVLLKSA-N 0 3 234.274 1.896 20 30 BDEDHN CC1(C)C[C@@]1(C)NC(=O)[C@@H](N)CCCC#N ZINC000595260140 348206478 /nfs/dbraw/zinc/20/64/78/348206478.db2.gz VZICXPCAGUQRGR-JOYOIKCWSA-N 0 3 223.320 1.312 20 30 BDEDHN C=CCNC(=O)NC(=O)CN(CC)[C@@H](C)CC ZINC000595592092 348278331 /nfs/dbraw/zinc/27/83/31/348278331.db2.gz AZFBBSVLMDQUBK-JTQLQIEISA-N 0 3 241.335 1.119 20 30 BDEDHN CCOCC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595622665 348290879 /nfs/dbraw/zinc/29/08/79/348290879.db2.gz CLTSRXSPINXXGJ-QWHCGFSZSA-N 0 3 240.347 1.400 20 30 BDEDHN C[C@@H](CO)[C@H]1CCCCN1CC1(C#N)CC1 ZINC000595679758 348311543 /nfs/dbraw/zinc/31/15/43/348311543.db2.gz XUKOFCXWGCXVPY-NWDGAFQWSA-N 0 3 222.332 1.773 20 30 BDEDHN C[C@]12COC[C@H]1CN(Cc1ccc(C#N)cn1)C2 ZINC000595757226 348330817 /nfs/dbraw/zinc/33/08/17/348330817.db2.gz IEVYSQUFTHSPKP-OCCSQVGLSA-N 0 3 243.310 1.422 20 30 BDEDHN C[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000595764594 348333425 /nfs/dbraw/zinc/33/34/25/348333425.db2.gz CIRWAJDVUKFALB-BXUZGUMPSA-N 0 3 230.311 1.903 20 30 BDEDHN C[C@@H](O)[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000595765930 348334369 /nfs/dbraw/zinc/33/43/69/348334369.db2.gz LYQDXKWULFLGTF-ZWNOBZJWSA-N 0 3 231.299 1.298 20 30 BDEDHN CN(CCOCCC#N)CC1=CCCOC1 ZINC000595746943 348340248 /nfs/dbraw/zinc/34/02/48/348340248.db2.gz GSHNHKLLCBOKAW-UHFFFAOYSA-N 0 3 224.304 1.195 20 30 BDEDHN N#CCNC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595832886 348366586 /nfs/dbraw/zinc/36/65/86/348366586.db2.gz JHFIKSUUWPRPTA-GFCCVEGCSA-N 0 3 235.331 1.138 20 30 BDEDHN C[C@]1(C#N)CCN(C[C@@H]2CCCOC2)C1 ZINC000595837518 348371059 /nfs/dbraw/zinc/37/10/59/348371059.db2.gz IGIRCAPFJVNCGK-NWDGAFQWSA-N 0 3 208.305 1.649 20 30 BDEDHN C[C@@]1(C#N)CCN(C[C@@H]2CCCOC2)C1 ZINC000595837519 348371096 /nfs/dbraw/zinc/37/10/96/348371096.db2.gz IGIRCAPFJVNCGK-RYUDHWBXSA-N 0 3 208.305 1.649 20 30 BDEDHN C[C@@]1(C#N)CCN(CC2(O)CCCC2)C1 ZINC000595839146 348372685 /nfs/dbraw/zinc/37/26/85/348372685.db2.gz ZOMSEFGTACBHCF-NSHDSACASA-N 0 3 208.305 1.527 20 30 BDEDHN CC(C)NC(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000595849305 348356206 /nfs/dbraw/zinc/35/62/06/348356206.db2.gz GGOUKYWDFUWLFR-GFCCVEGCSA-N 0 3 237.347 1.527 20 30 BDEDHN N#CCCOCCN1CCC(c2ccon2)CC1 ZINC000595828319 348364369 /nfs/dbraw/zinc/36/43/69/348364369.db2.gz KMXVBTAZBZYZFS-UHFFFAOYSA-N 0 3 249.314 1.784 20 30 BDEDHN CC[C@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000595943419 348411148 /nfs/dbraw/zinc/41/11/48/348411148.db2.gz MEGVSALQXGBTDV-JTQLQIEISA-N 0 3 223.320 1.314 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595945633 348411305 /nfs/dbraw/zinc/41/13/05/348411305.db2.gz USCWNDSKEITKHM-UTUOFQBUSA-N 0 3 235.331 1.266 20 30 BDEDHN CC12CC(C1)CN2C(=O)[C@H](N)CCCCC#N ZINC000595986624 348419976 /nfs/dbraw/zinc/41/99/76/348419976.db2.gz QRWQUZMCHSANLZ-QWKFWESOSA-N 0 3 235.331 1.409 20 30 BDEDHN C[NH+](C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596051469 348433118 /nfs/dbraw/zinc/43/31/18/348433118.db2.gz RWNWJJWRJBYHKX-UHFFFAOYSA-N 0 3 244.751 1.454 20 30 BDEDHN N#Cc1ccc(CNCCOCCF)cc1 ZINC000596058575 348435376 /nfs/dbraw/zinc/43/53/76/348435376.db2.gz LQPWZHUVOCLMQX-UHFFFAOYSA-N 0 3 222.263 1.634 20 30 BDEDHN C=CCOCCNCc1c(C)nn(C)c1C ZINC000303551099 490167172 /nfs/dbraw/zinc/16/71/72/490167172.db2.gz RGMCUHUFUUJDBT-UHFFFAOYSA-N 0 3 223.320 1.329 20 30 BDEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1cc(C#N)cnn1 ZINC000596150595 348452899 /nfs/dbraw/zinc/45/28/99/348452899.db2.gz CPJHWLZJFXBBEV-JQWIXIFHSA-N 0 3 245.330 1.125 20 30 BDEDHN CC(C)(C)N1CC[C@@H]1CNc1ccnc(C#N)n1 ZINC000596309848 348494403 /nfs/dbraw/zinc/49/44/03/348494403.db2.gz YEDHDTCUVLWYJD-SNVBAGLBSA-N 0 3 245.330 1.055 20 30 BDEDHN CC(C)(C)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000596336440 348498191 /nfs/dbraw/zinc/49/81/91/348498191.db2.gz PNKYTRPMCMIEMF-SNVBAGLBSA-N 0 3 245.330 1.633 20 30 BDEDHN C=CCC[C@H](O)CN(C)CCc1nccs1 ZINC000157986776 166303739 /nfs/dbraw/zinc/30/37/39/166303739.db2.gz VZXWLUXATLKYGX-NSHDSACASA-N 0 3 240.372 1.945 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000597100411 348657317 /nfs/dbraw/zinc/65/73/17/348657317.db2.gz RSFXFPPIYWKIPF-GHMZBOCLSA-N 0 3 223.320 1.089 20 30 BDEDHN C[C@H](C#N)CNC1CC(CF)(CF)C1 ZINC000597082953 348658959 /nfs/dbraw/zinc/65/89/59/348658959.db2.gz OSELVFRRVOBNAE-MRVPVSSYSA-N 0 3 202.248 1.823 20 30 BDEDHN C[C@@H](CC#N)C(=O)N(C)CCN1CCCC1 ZINC000597134064 348660444 /nfs/dbraw/zinc/66/04/44/348660444.db2.gz AFKKNCGVZLJDPF-NSHDSACASA-N 0 3 223.320 1.090 20 30 BDEDHN C[C@@H](CC#N)C(=O)NCCN1CCCC[C@@H]1C ZINC000596809698 348621317 /nfs/dbraw/zinc/62/13/17/348621317.db2.gz SXPUEMSVNCRPFB-RYUDHWBXSA-N 0 3 237.347 1.527 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000597409268 348729992 /nfs/dbraw/zinc/72/99/92/348729992.db2.gz CNVUHFVSLCICHC-AGIUHOORSA-N 0 3 249.358 1.479 20 30 BDEDHN C[C@@H](CC#N)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000597178710 348680636 /nfs/dbraw/zinc/68/06/36/348680636.db2.gz FFZWLDGTDNVUKS-CMPLNLGQSA-N 0 3 235.331 1.137 20 30 BDEDHN CCN1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597181811 348681458 /nfs/dbraw/zinc/68/14/58/348681458.db2.gz FXLFYMRTQXSVHY-NSHDSACASA-N 0 3 223.320 1.090 20 30 BDEDHN COc1cc(CNC2([C@@H](C)O)CC2)ccc1C#N ZINC000597234360 348701385 /nfs/dbraw/zinc/70/13/85/348701385.db2.gz JPNQGJJITDRGJD-SNVBAGLBSA-N 0 3 246.310 1.570 20 30 BDEDHN C=CC[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000184279404 348778131 /nfs/dbraw/zinc/77/81/31/348778131.db2.gz YXVHLVGRGFIBGE-GFCCVEGCSA-N 0 3 221.300 1.727 20 30 BDEDHN C=CC[C@@H](CO)NCc1nc2ccccc2n1C ZINC000184278912 348779473 /nfs/dbraw/zinc/77/94/73/348779473.db2.gz DDRDMQSQOJJKMI-NSHDSACASA-N 0 3 245.326 1.600 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc(OC)cc1 ZINC000184281266 348795582 /nfs/dbraw/zinc/79/55/82/348795582.db2.gz XDPKHGGMXRCQBE-GFCCVEGCSA-N 0 3 221.300 1.722 20 30 BDEDHN C=CC[C@@H](CO)NCc1scnc1C ZINC000184267526 348755656 /nfs/dbraw/zinc/75/56/56/348755656.db2.gz RNGWIYFVLBZCQH-VIFPVBQESA-N 0 3 212.318 1.478 20 30 BDEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C1(C#N)CCC1 ZINC000597858740 348828659 /nfs/dbraw/zinc/82/86/59/348828659.db2.gz OQVCKOMYXJVZPK-NSHDSACASA-N 0 3 249.358 1.669 20 30 BDEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859022 348829199 /nfs/dbraw/zinc/82/91/99/348829199.db2.gz QASYLFPAFSWIHZ-UWVGGRQHSA-N 0 3 223.320 1.135 20 30 BDEDHN CC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N(C)C ZINC000597908662 348842178 /nfs/dbraw/zinc/84/21/78/348842178.db2.gz VTPLHXBGJSYDHZ-RYUDHWBXSA-N 0 3 237.347 1.479 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597911723 348842834 /nfs/dbraw/zinc/84/28/34/348842834.db2.gz BKKLGURKWAOURY-NXEZZACHSA-N 0 3 205.261 1.298 20 30 BDEDHN C=CCCSCCNC(=O)CN(CC)CC ZINC000597968215 348855652 /nfs/dbraw/zinc/85/56/52/348855652.db2.gz PEFBGXNXERNSGZ-UHFFFAOYSA-N 0 3 244.404 1.754 20 30 BDEDHN Cc1ccncc1CCNC(=O)C(C)C#N ZINC000597977314 348860064 /nfs/dbraw/zinc/86/00/64/348860064.db2.gz GQFBTVLIEXHCNK-SNVBAGLBSA-N 0 3 217.272 1.208 20 30 BDEDHN CC1CCN(CC(=O)N2CC(CC#N)C2)CC1 ZINC000598033410 348868139 /nfs/dbraw/zinc/86/81/39/348868139.db2.gz YFUUZDBUGASZRC-UHFFFAOYSA-N 0 3 235.331 1.090 20 30 BDEDHN CC[C@@H](C(=O)N1CC(CC#N)C1)N(CC)CC ZINC000598033995 348868340 /nfs/dbraw/zinc/86/83/40/348868340.db2.gz HMLXHUJPRIBXFG-LBPRGKRZSA-N 0 3 237.347 1.479 20 30 BDEDHN CCCN1CCC[C@H]1C(=O)N1CC(CC#N)C1 ZINC000598035665 348871681 /nfs/dbraw/zinc/87/16/81/348871681.db2.gz SRFVYQCYAWNERK-LBPRGKRZSA-N 0 3 235.331 1.233 20 30 BDEDHN CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(CC)C1 ZINC000598042743 348874000 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/nfs/dbraw/zinc/71/76/63/386717663.db2.gz VLCWGYHXBWBENN-CYBMUJFWSA-N 0 3 249.358 1.932 20 30 BDEDHN CC(C)(C#N)CCCN1CC[C@@H](NC(N)=O)C1 ZINC000330508977 386746364 /nfs/dbraw/zinc/74/63/64/386746364.db2.gz CHHYJQJUIHRXIV-SNVBAGLBSA-N 0 3 238.335 1.473 20 30 BDEDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000453346214 386749908 /nfs/dbraw/zinc/74/99/08/386749908.db2.gz AWGCIHPGVDYHHR-KPXOXKRLSA-N 0 3 234.274 1.871 20 30 BDEDHN CCCN1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000330673965 386854455 /nfs/dbraw/zinc/85/44/55/386854455.db2.gz PRQQYQOESXXQIX-NSHDSACASA-N 0 3 236.319 1.589 20 30 BDEDHN Cc1ccn2cc(CNC(=O)C(C)C#N)nc2c1 ZINC000334823911 386955152 /nfs/dbraw/zinc/95/51/52/386955152.db2.gz JUGPAPAXXYTCBR-SNVBAGLBSA-N 0 3 242.282 1.419 20 30 BDEDHN C[C@H]1C[C@@H](CO)CN(CC#Cc2ccccc2)C1 ZINC000398846459 387008021 /nfs/dbraw/zinc/00/80/21/387008021.db2.gz WAMUFOSVDNNFRX-GOEBONIOSA-N 0 3 243.350 1.988 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1c(F)cncc1F ZINC000334905302 386980428 /nfs/dbraw/zinc/98/04/28/386980428.db2.gz RCPHKQLMCZBFKY-RNFRBKRXSA-N 0 3 239.225 1.697 20 30 BDEDHN C=CCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418037734 387066677 /nfs/dbraw/zinc/06/66/77/387066677.db2.gz REDZRGWBVLMKQR-NWDGAFQWSA-N 0 3 239.363 1.735 20 30 BDEDHN CN(CCCO)Cc1ccc(CC#N)cc1 ZINC000399025082 387041551 /nfs/dbraw/zinc/04/15/51/387041551.db2.gz GVTNGBRJDQSAPT-UHFFFAOYSA-N 0 3 218.300 1.567 20 30 BDEDHN CC#CCN1CCCC[C@H]1Cn1cccn1 ZINC000369625337 387058278 /nfs/dbraw/zinc/05/82/78/387058278.db2.gz JAYGHHGTFYPBJX-ZDUSSCGKSA-N 0 3 217.316 1.761 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000186995177 387159226 /nfs/dbraw/zinc/15/92/26/387159226.db2.gz JBMXKFBGXYWIBL-LLVKDONJSA-N 0 3 222.332 1.553 20 30 BDEDHN C=CCCCCN1CCOC[C@H]1C[C@@H](C)O ZINC000571868987 387182628 /nfs/dbraw/zinc/18/26/28/387182628.db2.gz LGYPKIQIRJSAHT-CHWSQXEVSA-N 0 3 227.348 1.814 20 30 BDEDHN CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C)CC1 ZINC000129912322 387185956 /nfs/dbraw/zinc/18/59/56/387185956.db2.gz FXQHNEUZSBUSAC-UHFFFAOYSA-N 0 3 246.314 1.053 20 30 BDEDHN C=CCC[C@H](O)CN(C)C[C@@H]1CCCO1 ZINC000187809730 387214817 /nfs/dbraw/zinc/21/48/17/387214817.db2.gz ITELLVJNRSMDOC-RYUDHWBXSA-N 0 3 213.321 1.424 20 30 BDEDHN C=CCC[C@@H](CO)NCc1cccc(OC)n1 ZINC000321536160 387271992 /nfs/dbraw/zinc/27/19/92/387271992.db2.gz ZLQWNRXLGRVORD-LBPRGKRZSA-N 0 3 236.315 1.507 20 30 BDEDHN C#CCN(C)CCCNc1nccc(C)c1C#N ZINC000292907942 387285121 /nfs/dbraw/zinc/28/51/21/387285121.db2.gz XEWPLWGQUGRYIX-UHFFFAOYSA-N 0 3 242.326 1.629 20 30 BDEDHN C#CC[C@H](NCCC(=O)NC)c1ccccc1 ZINC000271703393 387448086 /nfs/dbraw/zinc/44/80/86/387448086.db2.gz MZZHACXTJUGONI-ZDUSSCGKSA-N 0 3 230.311 1.477 20 30 BDEDHN C[C@@H](O)CCN(C)Cc1cc(C#N)n(C)c1 ZINC000191376399 387387048 /nfs/dbraw/zinc/38/70/48/387387048.db2.gz ALUKYRWRSKFFND-SNVBAGLBSA-N 0 3 221.304 1.099 20 30 BDEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1N ZINC000424094547 387494743 /nfs/dbraw/zinc/49/47/43/387494743.db2.gz LVVZBRSURYCJLA-QWHCGFSZSA-N 0 3 230.311 1.548 20 30 BDEDHN CC[C@H]1CCN1Cc1cc(C#N)n(C)c1 ZINC000292737714 387498812 /nfs/dbraw/zinc/49/88/12/387498812.db2.gz GXXSCLQDIXSHPV-NSHDSACASA-N 0 3 203.289 1.881 20 30 BDEDHN CC(C)CN(C(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424097535 387505932 /nfs/dbraw/zinc/50/59/32/387505932.db2.gz RDNRPGCHUJDYKT-LBPRGKRZSA-N 0 3 239.363 1.901 20 30 BDEDHN Cc1c[nH]nc1CNCCc1cccc(C#N)c1 ZINC000352893380 387517357 /nfs/dbraw/zinc/51/73/57/387517357.db2.gz LNXSGKJYIUUBNX-UHFFFAOYSA-N 0 3 240.310 1.922 20 30 BDEDHN C=CCCCCN1CC[C@@H](NC(N)=O)C1 ZINC000516539292 387520781 /nfs/dbraw/zinc/52/07/81/387520781.db2.gz XETQVLBSVAOAIO-SNVBAGLBSA-N 0 3 211.309 1.085 20 30 BDEDHN CC#CCCN1CCc2cc[nH]c(=O)c2C1 ZINC000276934423 387528315 /nfs/dbraw/zinc/52/83/15/387528315.db2.gz MTUHAFDXJAUTKB-UHFFFAOYSA-N 0 3 216.284 1.559 20 30 BDEDHN C#CCC(CC#C)C(=O)NCCN1CCCCC1 ZINC000277259550 387530323 /nfs/dbraw/zinc/53/03/23/387530323.db2.gz AIWCCRWVFNQYQD-UHFFFAOYSA-N 0 3 246.354 1.251 20 30 BDEDHN C=C[C@@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000648084726 387532985 /nfs/dbraw/zinc/53/29/85/387532985.db2.gz RZVALVSEDXDSSV-SKDRFNHKSA-N 0 3 236.290 1.559 20 30 BDEDHN CC#CC(=O)N(CCN(C)C)Cc1ccco1 ZINC000277597830 387536249 /nfs/dbraw/zinc/53/62/49/387536249.db2.gz APSXCZCNYLKKEP-UHFFFAOYSA-N 0 3 234.299 1.193 20 30 BDEDHN Cc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424080238 387479851 /nfs/dbraw/zinc/47/98/51/387479851.db2.gz SGPUVKVRVRCVJC-LLVKDONJSA-N 0 3 231.299 1.955 20 30 BDEDHN C[C@@H](O)CN(Cc1cccc(C#N)c1)[C@H](C)CO ZINC000248919340 387483054 /nfs/dbraw/zinc/48/30/54/387483054.db2.gz KNSVYOXUPADXBO-VXGBXAGGSA-N 0 3 248.326 1.122 20 30 BDEDHN CN(c1ncccc1C#N)[C@@H]1CCCN(C)C1 ZINC000053246332 387548605 /nfs/dbraw/zinc/54/86/05/387548605.db2.gz NJIRCNZETKXVHZ-GFCCVEGCSA-N 0 3 230.315 1.484 20 30 BDEDHN CCC1(NC(=O)[C@@H](N)CCCC#N)CCC1 ZINC000424115338 387556337 /nfs/dbraw/zinc/55/63/37/387556337.db2.gz AFLCORMJBHCRQY-JTQLQIEISA-N 0 3 223.320 1.456 20 30 BDEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC)C2)cc1 ZINC000279128164 387562062 /nfs/dbraw/zinc/56/20/62/387562062.db2.gz XYGXQQZEJOXFBK-CQSZACIVSA-N 0 3 243.306 1.663 20 30 BDEDHN CCN(C)CCNC(=O)c1cccc(C#N)c1 ZINC000049938360 387711466 /nfs/dbraw/zinc/71/14/66/387711466.db2.gz SJGUEONYGCAAJW-UHFFFAOYSA-N 0 3 231.299 1.240 20 30 BDEDHN C=C(C)CN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431939094 387740467 /nfs/dbraw/zinc/74/04/67/387740467.db2.gz QFOZSEUKZXJKMR-QWHCGFSZSA-N 0 3 235.331 1.724 20 30 BDEDHN C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424144977 387763004 /nfs/dbraw/zinc/76/30/04/387763004.db2.gz UELUUVBOPHYLMS-ZJUUUORDSA-N 0 3 209.293 1.018 20 30 BDEDHN CN(CCOc1cccc(C#N)c1)C1CC(O)C1 ZINC000353494498 387798108 /nfs/dbraw/zinc/79/81/08/387798108.db2.gz YVEKZEPRPHTEDA-UHFFFAOYSA-N 0 3 246.310 1.392 20 30 BDEDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000168803819 387756964 /nfs/dbraw/zinc/75/69/64/387756964.db2.gz HQAPUFSACIZMHG-VIFPVBQESA-N 0 3 248.286 1.828 20 30 BDEDHN CCN(CCC(=O)OC)Cc1cccc(C#N)c1 ZINC000050053684 387831538 /nfs/dbraw/zinc/83/15/38/387831538.db2.gz HUNQOUDHFOSNID-UHFFFAOYSA-N 0 3 246.310 1.943 20 30 BDEDHN N#C[C@@H]1CC[C@@H](NCCNc2ccccn2)C1 ZINC000442775359 387837071 /nfs/dbraw/zinc/83/70/71/387837071.db2.gz FRMXMMSMGOQOAJ-VXGBXAGGSA-N 0 3 230.315 1.775 20 30 BDEDHN N#C[C@H]1CC[C@@H](NCCNc2ccccn2)C1 ZINC000442775355 387837620 /nfs/dbraw/zinc/83/76/20/387837620.db2.gz FRMXMMSMGOQOAJ-NWDGAFQWSA-N 0 3 230.315 1.775 20 30 BDEDHN COC[C@]1(C)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000295203582 387837876 /nfs/dbraw/zinc/83/78/76/387837876.db2.gz YZIDZIMLDHJGCT-CQSZACIVSA-N 0 3 247.342 1.755 20 30 BDEDHN Cc1ncc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(=O)[n-]1 ZINC000442845915 387849358 /nfs/dbraw/zinc/84/93/58/387849358.db2.gz YFAIPEQBKXFXEE-ONGXEEELSA-N 0 3 232.287 1.273 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000424165455 387851545 /nfs/dbraw/zinc/85/15/45/387851545.db2.gz DSRUKQUOKRQFEE-NEPJUHHUSA-N 0 3 249.358 1.847 20 30 BDEDHN CC(C#N)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000452588267 387864812 /nfs/dbraw/zinc/86/48/12/387864812.db2.gz BUEDMYWICBXLSU-ZUDIRPEPSA-N 0 3 230.311 1.817 20 30 BDEDHN C=C(C)CCNC(=O)[C@H](CCC)N(C)C ZINC000452716904 387894532 /nfs/dbraw/zinc/89/45/32/387894532.db2.gz JLKKXUSRBYWDTL-NSHDSACASA-N 0 3 212.337 1.799 20 30 BDEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CC1(C)C ZINC000424183738 387897348 /nfs/dbraw/zinc/89/73/48/387897348.db2.gz WNWMDXBUBRZUPP-NXEZZACHSA-N 0 3 223.320 1.264 20 30 BDEDHN CC(C)C[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424181973 387897605 /nfs/dbraw/zinc/89/76/05/387897605.db2.gz SJYKJTVGNKPJPY-GHMZBOCLSA-N 0 3 225.336 1.558 20 30 BDEDHN C=CCn1cc(CN[C@H](C)C2CC2)nn1 ZINC000424174756 387875244 /nfs/dbraw/zinc/87/52/44/387875244.db2.gz SGHQNLWPHMOKNG-SECBINFHSA-N 0 3 206.293 1.352 20 30 BDEDHN C=CCn1cc(CN[C@H](C)CC(C)C)nn1 ZINC000424175576 387883579 /nfs/dbraw/zinc/88/35/79/387883579.db2.gz VHXXDGQUJPFTNU-LLVKDONJSA-N 0 3 222.336 1.988 20 30 BDEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCNC1=O ZINC000444664389 387904348 /nfs/dbraw/zinc/90/43/48/387904348.db2.gz NQAIDFUOFOANNR-LLVKDONJSA-N 0 3 237.347 1.527 20 30 BDEDHN C=CCC[C@H](CO)NCc1cnn(C(C)C)c1 ZINC000320993757 387910008 /nfs/dbraw/zinc/91/00/08/387910008.db2.gz JOEMEBMZOYGXTE-CYBMUJFWSA-N 0 3 237.347 1.881 20 30 BDEDHN CCn1nnc(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424196521 387922775 /nfs/dbraw/zinc/92/27/75/387922775.db2.gz GLXAAUAQGXOKRQ-WDEREUQCSA-N 0 3 233.319 1.388 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccn(C)n1 ZINC000424294150 387955219 /nfs/dbraw/zinc/95/52/19/387955219.db2.gz JWXRQJOQJLYFSO-GVXVVHGQSA-N 0 3 235.331 1.662 20 30 BDEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cn[nH]c1 ZINC000453171850 388001281 /nfs/dbraw/zinc/00/12/81/388001281.db2.gz WYXOPORNHSGMLT-VHSXEESVSA-N 0 3 209.293 1.245 20 30 BDEDHN C=CC[C@H](CO)CN[C@H](C)c1cn[nH]c1 ZINC000453171851 388001597 /nfs/dbraw/zinc/00/15/97/388001597.db2.gz WYXOPORNHSGMLT-ZJUUUORDSA-N 0 3 209.293 1.245 20 30 BDEDHN C[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000086036748 388099040 /nfs/dbraw/zinc/09/90/40/388099040.db2.gz SPJIEROZHHGQHX-LMWSTFAQSA-N 0 3 230.311 1.581 20 30 BDEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2cccnc2)C1 ZINC000645983332 388116340 /nfs/dbraw/zinc/11/63/40/388116340.db2.gz ZFVGQHNMHOJUEB-UONOGXRCSA-N 0 3 232.327 1.808 20 30 BDEDHN C=CC[C@H](CO)CNCc1ncc(C)s1 ZINC000449200675 388156678 /nfs/dbraw/zinc/15/66/78/388156678.db2.gz FDWJPRAUQZJTNX-JTQLQIEISA-N 0 3 226.345 1.726 20 30 BDEDHN C=C(C)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195313033 388158868 /nfs/dbraw/zinc/15/88/68/388158868.db2.gz SALXDTXUVWYZGT-BETUJISGSA-N 0 3 226.364 1.604 20 30 BDEDHN C=C(C)CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000488528401 388183499 /nfs/dbraw/zinc/18/34/99/388183499.db2.gz AHTINNLRXYULCO-MNOVXSKESA-N 0 3 225.336 1.344 20 30 BDEDHN C=C(C)CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000454779900 388133797 /nfs/dbraw/zinc/13/37/97/388133797.db2.gz ISNRYMJOEOZARG-VXGBXAGGSA-N 0 3 239.363 1.735 20 30 BDEDHN C=CCNC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000646137957 388152936 /nfs/dbraw/zinc/15/29/36/388152936.db2.gz ZDQOZHNICDATDK-CYBMUJFWSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(Br)CN[C@@H](C)[C@H](C)CO ZINC000164895516 388249352 /nfs/dbraw/zinc/24/93/52/388249352.db2.gz KTYSNRVQHBJVTP-SVRRBLITSA-N 0 3 222.126 1.502 20 30 BDEDHN C=CCCC(=O)N[C@H]1CNCCC1(F)F ZINC000449668401 388251574 /nfs/dbraw/zinc/25/15/74/388251574.db2.gz SVOCCCYFUDHWKI-QMMMGPOBSA-N 0 3 218.247 1.066 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CCCCC(C)(C)C1 ZINC000490742351 388252957 /nfs/dbraw/zinc/25/29/57/388252957.db2.gz ZMCDKCNDIBNYOB-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CC(C)(C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000490778942 388254137 /nfs/dbraw/zinc/25/41/37/388254137.db2.gz PDUPBQMCOSRQKK-QWRGUYRKSA-N 0 3 222.332 1.387 20 30 BDEDHN C#CCN(C/C=C(\C)C(=O)OC)C1CCCC1 ZINC000490820373 388255870 /nfs/dbraw/zinc/25/58/70/388255870.db2.gz NTADXJJTLYHPHZ-FMIVXFBMSA-N 0 3 235.327 1.984 20 30 BDEDHN C#CCN(CC)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000490893599 388259071 /nfs/dbraw/zinc/25/90/71/388259071.db2.gz VTBGOTOKVJQFEP-FRRDWIJNSA-N 0 3 236.359 1.729 20 30 BDEDHN C=C[C@@H]1CCCCN1CCN1CCCC1=O ZINC000489422239 388212869 /nfs/dbraw/zinc/21/28/69/388212869.db2.gz FXADYNWAFQYKPL-GFCCVEGCSA-N 0 3 222.332 1.649 20 30 BDEDHN C=C(C)CCNCc1cnc(N(C)C)nc1 ZINC000449475522 388213809 /nfs/dbraw/zinc/21/38/09/388213809.db2.gz LATALCFUXKOAOR-UHFFFAOYSA-N 0 3 220.320 1.598 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(C)nc1C ZINC000449517070 388221657 /nfs/dbraw/zinc/22/16/57/388221657.db2.gz DOKDDWUIYBKAHB-NEPJUHHUSA-N 0 3 221.304 1.162 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ncccc1C ZINC000449516875 388221759 /nfs/dbraw/zinc/22/17/59/388221759.db2.gz CXXQRZWCRZHUBB-YPMHNXCESA-N 0 3 218.300 1.823 20 30 BDEDHN C=C(CC)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000456809028 388222857 /nfs/dbraw/zinc/22/28/57/388222857.db2.gz AFLKWSLZEUBUNT-RYUDHWBXSA-N 0 3 224.348 1.942 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(CCC)c1 ZINC000449522560 388223171 /nfs/dbraw/zinc/22/31/71/388223171.db2.gz VIDUPKCLXKSZHG-OLZOCXBDSA-N 0 3 235.331 1.726 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2ccccn12 ZINC000449523265 388224035 /nfs/dbraw/zinc/22/40/35/388224035.db2.gz XBPKKOXYNMGRPE-OLZOCXBDSA-N 0 3 243.310 1.767 20 30 BDEDHN C#CCN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000490595038 388241251 /nfs/dbraw/zinc/24/12/51/388241251.db2.gz ZDWZJNJUJDLISU-LBPRGKRZSA-N 0 3 236.359 1.492 20 30 BDEDHN CO[C@@H]1CCN(CCOCCC#N)CC1(C)C ZINC000451556294 388281451 /nfs/dbraw/zinc/28/14/51/388281451.db2.gz LOJSFAKDCHIZEC-GFCCVEGCSA-N 0 3 240.347 1.664 20 30 BDEDHN C#CCNC(=O)CCN[C@H](CC)c1ccncc1 ZINC000491298440 388283862 /nfs/dbraw/zinc/28/38/62/388283862.db2.gz VOVYJOSQMDJVQN-CYBMUJFWSA-N 0 3 245.326 1.262 20 30 BDEDHN C#C[C@H](CC)NC(=O)CCN(C)c1ccncc1 ZINC000491315779 388285081 /nfs/dbraw/zinc/28/50/81/388285081.db2.gz QHNZIICVFSDCFT-GFCCVEGCSA-N 0 3 245.326 1.436 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)ncn1 ZINC000451676422 388288958 /nfs/dbraw/zinc/28/89/58/388288958.db2.gz ADEFJCDZAGEGJS-OLZOCXBDSA-N 0 3 233.315 1.608 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000491404150 388292485 /nfs/dbraw/zinc/29/24/85/388292485.db2.gz AIFZRMZNAWXSSB-GMXVVIOVSA-N 0 3 249.358 1.132 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000491485696 388298161 /nfs/dbraw/zinc/29/81/61/388298161.db2.gz QJYVQQKABJJMSG-QJPTWQEYSA-N 0 3 249.358 1.323 20 30 BDEDHN C#CCN(C)CCCNC(=O)N1C2CCC1CC2 ZINC000491546314 388302876 /nfs/dbraw/zinc/30/28/76/388302876.db2.gz VJVAIVSAYLDCHR-UHFFFAOYSA-N 0 3 249.358 1.278 20 30 BDEDHN C#CCN1CCC(C(=O)NCC(C)(F)F)CC1 ZINC000491556639 388303950 /nfs/dbraw/zinc/30/39/50/388303950.db2.gz YNWCPIPGGIQIRF-UHFFFAOYSA-N 0 3 244.285 1.103 20 30 BDEDHN C#CCN(CC)CCn1cc(Cl)cn1 ZINC000491620969 388305335 /nfs/dbraw/zinc/30/53/35/388305335.db2.gz DDRYXDIDRRAWPR-UHFFFAOYSA-N 0 3 211.696 1.492 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@H]1CC12CCCC2 ZINC000491635801 388306914 /nfs/dbraw/zinc/30/69/14/388306914.db2.gz SDJHPYJDHVVZAJ-CYBMUJFWSA-N 0 3 248.370 1.638 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000491705980 388313367 /nfs/dbraw/zinc/31/33/67/388313367.db2.gz WAIBJISXQNHQRI-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C=CCCC1 ZINC000491706262 388313448 /nfs/dbraw/zinc/31/34/48/388313448.db2.gz LPPDSLGRECMUKQ-CYBMUJFWSA-N 0 3 249.358 1.349 20 30 BDEDHN C#CCN(C)CCCNC(=O)C[C@H](C)CCC ZINC000491711043 388313702 /nfs/dbraw/zinc/31/37/02/388313702.db2.gz ZLESAAWIUWOHOS-CYBMUJFWSA-N 0 3 238.375 1.884 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](C2CCCC2)C1 ZINC000491724655 388314737 /nfs/dbraw/zinc/31/47/37/388314737.db2.gz BUGDDGZIBDBRDW-TZMCWYRMSA-N 0 3 248.370 1.636 20 30 BDEDHN C#C[C@@H](CC)NC(=O)c1ccccc1CN(C)C ZINC000491760911 388318737 /nfs/dbraw/zinc/31/87/37/388318737.db2.gz SVGAGITXQUYPCM-ZDUSSCGKSA-N 0 3 244.338 1.890 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000491770079 388319027 /nfs/dbraw/zinc/31/90/27/388319027.db2.gz OQGFLQIGIZQYTD-QWHCGFSZSA-N 0 3 236.359 1.731 20 30 BDEDHN C#CCN(C)CCCNC(=O)N1[C@H](C)C[C@@H]1C ZINC000491778772 388320150 /nfs/dbraw/zinc/32/01/50/388320150.db2.gz GRISZGHUHCSMIY-TXEJJXNPSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)/C=C/CN(C)C ZINC000491777828 388320158 /nfs/dbraw/zinc/32/01/58/388320158.db2.gz IDGYIKNFMOYRIW-DJYGCBNOSA-N 0 3 208.305 1.022 20 30 BDEDHN C#CCN(C)CCOCc1ccc(C#N)cc1 ZINC000491784756 388321021 /nfs/dbraw/zinc/32/10/21/388321021.db2.gz LTLOSFLYZMTCEG-UHFFFAOYSA-N 0 3 228.295 1.640 20 30 BDEDHN C#CCN(CC#C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000490951253 388261541 /nfs/dbraw/zinc/26/15/41/388261541.db2.gz WOFBKIDGUJWGOR-KGLIPLIRSA-N 0 3 219.328 1.760 20 30 BDEDHN C#C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(C)C ZINC000491022498 388265678 /nfs/dbraw/zinc/26/56/78/388265678.db2.gz RQIOHQHMERXPEM-FRRDWIJNSA-N 0 3 236.359 1.633 20 30 BDEDHN C#CC(C)(C)N(C)C[C@@H](O)CCOC(C)C ZINC000491071606 388267313 /nfs/dbraw/zinc/26/73/13/388267313.db2.gz LYMZHCTXRVKDTE-LBPRGKRZSA-N 0 3 227.348 1.506 20 30 BDEDHN C#CC(C)(C)N(C)C[C@@H](O)CCOCC ZINC000491125301 388271070 /nfs/dbraw/zinc/27/10/70/388271070.db2.gz CUMHZXXYJJCXSP-NSHDSACASA-N 0 3 213.321 1.118 20 30 BDEDHN C#CC(C)(C)N(C)CCn1cc(C)cn1 ZINC000491164736 388273714 /nfs/dbraw/zinc/27/37/14/388273714.db2.gz FEPISNXAUDLKIJ-UHFFFAOYSA-N 0 3 205.305 1.535 20 30 BDEDHN C#C[C@H](C)N(C)CCO[C@H]1CCCCO1 ZINC000491253009 388280293 /nfs/dbraw/zinc/28/02/93/388280293.db2.gz LEXXPOWQUNCOPB-RYUDHWBXSA-N 0 3 211.305 1.483 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1CC1 ZINC000193488345 388359184 /nfs/dbraw/zinc/35/91/84/388359184.db2.gz SRLCLBXGEPDPDH-GFCCVEGCSA-N 0 3 236.359 1.917 20 30 BDEDHN CC(C)[C@H](N)c1cn(-c2cccc(C#N)c2)nn1 ZINC000594650650 388361034 /nfs/dbraw/zinc/36/10/34/388361034.db2.gz BDCMNQVIEYEKHN-ZDUSSCGKSA-N 0 3 241.298 1.795 20 30 BDEDHN CC[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC000270915754 388369109 /nfs/dbraw/zinc/36/91/09/388369109.db2.gz ONBWTRKEALXPNQ-KBPBESRZSA-N 0 3 230.311 1.761 20 30 BDEDHN COC[C@@H](CNCc1ccc(C#N)cc1)OC ZINC000227704895 388369239 /nfs/dbraw/zinc/36/92/39/388369239.db2.gz LYQIFDWPJYCZBE-CYBMUJFWSA-N 0 3 234.299 1.309 20 30 BDEDHN C[C@@H]1OCC[C@@]1(O)CNCc1cccc(C#N)c1 ZINC000227968310 388375255 /nfs/dbraw/zinc/37/52/55/388375255.db2.gz JDGXZUOLEZLAHM-SMDDNHRTSA-N 0 3 246.310 1.188 20 30 BDEDHN N#Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152891503 388377192 /nfs/dbraw/zinc/37/71/92/388377192.db2.gz QCSWULMOUKHQAL-RDBSUJKOSA-N 0 3 228.295 1.968 20 30 BDEDHN C[C@H](NCCn1cncn1)c1cccc(C#N)c1 ZINC000271796461 388405678 /nfs/dbraw/zinc/40/56/78/388405678.db2.gz JEQMXUINAPYJFX-NSHDSACASA-N 0 3 241.298 1.501 20 30 BDEDHN C[C@H](NCC1(CO)COC1)c1ccc(C#N)cc1 ZINC000271676326 388398282 /nfs/dbraw/zinc/39/82/82/388398282.db2.gz OMTBGSBFEYXLNQ-NSHDSACASA-N 0 3 246.310 1.218 20 30 BDEDHN CN1CC=C(CNc2ccc(C#N)cn2)CC1 ZINC000271829024 388406836 /nfs/dbraw/zinc/40/68/36/388406836.db2.gz ONTOTBSSLBHOAG-UHFFFAOYSA-N 0 3 228.299 1.627 20 30 BDEDHN C=CC[C@H](CO)CNCc1cnc(C)s1 ZINC000336661762 388460437 /nfs/dbraw/zinc/46/04/37/388460437.db2.gz CDUIXHOSFKIWJQ-JTQLQIEISA-N 0 3 226.345 1.726 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(C)CC ZINC000424499107 256713869 /nfs/dbraw/zinc/71/38/69/256713869.db2.gz DDSQXOFTOZQADY-NEPJUHHUSA-N 0 3 240.347 1.036 20 30 BDEDHN C[C@H](CCCO)NCc1ccc(C#N)cc1F ZINC000094944072 388434556 /nfs/dbraw/zinc/43/45/56/388434556.db2.gz SUCMMEBAYKHCKS-SNVBAGLBSA-N 0 3 236.290 1.948 20 30 BDEDHN C=CCOCCN1CC[C@@H](O)C(C)(C)C1 ZINC000339112449 388480115 /nfs/dbraw/zinc/48/01/15/388480115.db2.gz PLJZXMOXPIHRCT-LLVKDONJSA-N 0 3 213.321 1.282 20 30 BDEDHN COCC#CCN1CCC(CCOC)CC1 ZINC000528577295 388548683 /nfs/dbraw/zinc/54/86/83/388548683.db2.gz MLPKSPXROKXPBP-UHFFFAOYSA-N 0 3 225.332 1.385 20 30 BDEDHN C#CCN1CCC(C(=O)NC2(CC)CCC2)CC1 ZINC000178587921 388502647 /nfs/dbraw/zinc/50/26/47/388502647.db2.gz YDUDGIQEOGOQBV-UHFFFAOYSA-N 0 3 248.370 1.781 20 30 BDEDHN CC[C@@H](CO)NCc1cccc(C#N)c1 ZINC000020194674 388516592 /nfs/dbraw/zinc/51/65/92/388516592.db2.gz JYNWXIHAOSXUPN-LBPRGKRZSA-N 0 3 204.273 1.419 20 30 BDEDHN C=CCN1CCC(NC(=O)c2cocc2C)CC1 ZINC000528446559 388527193 /nfs/dbraw/zinc/52/71/93/388527193.db2.gz AXZHGWJBDULFQH-UHFFFAOYSA-N 0 3 248.326 1.968 20 30 BDEDHN CC#CCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000185667833 388590437 /nfs/dbraw/zinc/59/04/37/388590437.db2.gz GKWVLXFZSCRQIN-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN CN(CCN1CCCC1=O)[C@H]1CC[C@@H](C#N)C1 ZINC000549844441 388592505 /nfs/dbraw/zinc/59/25/05/388592505.db2.gz UYJSAWQCRWIYGT-NEPJUHHUSA-N 0 3 235.331 1.233 20 30 BDEDHN CN(CCN1CCCC1=O)[C@@H]1CC[C@@H](C#N)C1 ZINC000549844444 388592772 /nfs/dbraw/zinc/59/27/72/388592772.db2.gz UYJSAWQCRWIYGT-VXGBXAGGSA-N 0 3 235.331 1.233 20 30 BDEDHN C#CCN(C)CCCNC(=O)CC1CCCC1 ZINC000328307820 388598380 /nfs/dbraw/zinc/59/83/80/388598380.db2.gz WCFQUKURVIAPAM-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000529985800 388601656 /nfs/dbraw/zinc/60/16/56/388601656.db2.gz XPIQBJCQXDLDFO-VFCFLDTKSA-N 0 3 210.277 1.074 20 30 BDEDHN CN(Cc1ccc(C#N)s1)CC1(O)CCC1 ZINC000355367757 388603229 /nfs/dbraw/zinc/60/32/29/388603229.db2.gz NGSSLEXYPQKFNB-UHFFFAOYSA-N 0 3 236.340 1.967 20 30 BDEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530031051 388606115 /nfs/dbraw/zinc/60/61/15/388606115.db2.gz YHYKXRPCOXDRIQ-PWSUYJOCSA-N 0 3 235.331 1.279 20 30 BDEDHN C=CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528713571 388560572 /nfs/dbraw/zinc/56/05/72/388560572.db2.gz IYVDNPYRBBPDCN-UHFFFAOYSA-N 0 3 247.298 1.476 20 30 BDEDHN C=C(C)C[C@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000184798544 388582885 /nfs/dbraw/zinc/58/28/85/388582885.db2.gz NRLKMUZYKVPYJO-WCQYABFASA-N 0 3 242.363 1.018 20 30 BDEDHN C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1O ZINC000191534824 388665584 /nfs/dbraw/zinc/66/55/84/388665584.db2.gz DQEAJGYXCCJKDR-MFKMUULPSA-N 0 3 233.315 1.099 20 30 BDEDHN CC#CCCCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552143511 388673243 /nfs/dbraw/zinc/67/32/43/388673243.db2.gz YEZDFYJQKSFDIJ-UONOGXRCSA-N 0 3 248.370 1.875 20 30 BDEDHN CN(Cc1ccc(C#N)o1)[C@H](CO)C(C)(C)C ZINC000093821942 388746351 /nfs/dbraw/zinc/74/63/51/388746351.db2.gz YEJVILLJMUEYEG-GFCCVEGCSA-N 0 3 236.315 1.990 20 30 BDEDHN CC[C@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000124481846 388748575 /nfs/dbraw/zinc/74/85/75/388748575.db2.gz HEBZRZQBVRAEQA-LBPRGKRZSA-N 0 3 234.299 1.427 20 30 BDEDHN Cn1cc(CNC2CC(F)(F)C2)cc1C#N ZINC000277599063 388748603 /nfs/dbraw/zinc/74/86/03/388748603.db2.gz IMPRMEBYOMHRRS-UHFFFAOYSA-N 0 3 225.242 1.784 20 30 BDEDHN C=CCOCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000649000122 388690355 /nfs/dbraw/zinc/69/03/55/388690355.db2.gz PAJBOQGDEUUZIO-LBPRGKRZSA-N 0 3 240.347 1.132 20 30 BDEDHN N#Cc1ccc(CNC[C@@H](O)C2CCC2)cc1 ZINC000316211625 388712971 /nfs/dbraw/zinc/71/29/71/388712971.db2.gz QTBYLMNRYZWSGQ-CQSZACIVSA-N 0 3 230.311 1.809 20 30 BDEDHN COC(=O)[C@H](C)CN(C)Cc1ccnc(C#N)c1 ZINC000068760520 388716838 /nfs/dbraw/zinc/71/68/38/388716838.db2.gz BKXVCPMPPHTQMK-SNVBAGLBSA-N 0 3 247.298 1.194 20 30 BDEDHN C#CCN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000249710610 388731998 /nfs/dbraw/zinc/73/19/98/388731998.db2.gz YAMQTZIGRXUBRU-GRYCIOLGSA-N 0 3 222.332 1.339 20 30 BDEDHN C#C[C@@H](CC)NCc1cc2c(c(OC)c1)OCO2 ZINC000229879204 388801553 /nfs/dbraw/zinc/80/15/53/388801553.db2.gz MDXOYKZMRMXBBY-NSHDSACASA-N 0 3 247.294 1.925 20 30 BDEDHN C#C[C@@H](CC)NCc1cnn2ccccc12 ZINC000229896477 388804037 /nfs/dbraw/zinc/80/40/37/388804037.db2.gz IUTQQRVZQZBLAT-LBPRGKRZSA-N 0 3 213.284 1.836 20 30 BDEDHN CC1(C)[C@H](O)C[C@@H]1NCC#Cc1ccccc1 ZINC000128493514 388766552 /nfs/dbraw/zinc/76/65/52/388766552.db2.gz VCXUSRHZCMOULY-UONOGXRCSA-N 0 3 229.323 1.787 20 30 BDEDHN CC(C#N)C(=O)NC/C=C\c1ccccc1 ZINC000539790399 388775504 /nfs/dbraw/zinc/77/55/04/388775504.db2.gz SGZUPLUXNWVSOG-OFSNVTPPSA-N 0 3 214.268 1.976 20 30 BDEDHN C[C@@H](NC[C@]1(O)CCOC1)c1ccc(C#N)cc1 ZINC000224758199 388812696 /nfs/dbraw/zinc/81/26/96/388812696.db2.gz YDZCQXRDMDTXHB-BXUZGUMPSA-N 0 3 246.310 1.360 20 30 BDEDHN Cc1ccc(OCCNC(=O)C(C)C#N)c(C)c1 ZINC000522980154 388784936 /nfs/dbraw/zinc/78/49/36/388784936.db2.gz MBWKKXREGATXCW-GFCCVEGCSA-N 0 3 246.310 1.958 20 30 BDEDHN CC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000068450334 388787069 /nfs/dbraw/zinc/78/70/69/388787069.db2.gz QVXRFEGQTXPPDN-AAEUAGOBSA-N 0 3 239.363 1.771 20 30 BDEDHN C[C@]1(O)CCCN(Cc2cccc(C#N)c2)C1 ZINC000161889104 388844529 /nfs/dbraw/zinc/84/45/29/388844529.db2.gz OHANCDBWCQZZGO-AWEZNQCLSA-N 0 3 230.311 1.905 20 30 BDEDHN Cc1ccnc([C@@H]2CCN(C(=O)C(C)C#N)C2)c1 ZINC000565208399 388925781 /nfs/dbraw/zinc/92/57/81/388925781.db2.gz NCLKDDPMUDICNH-NWDGAFQWSA-N 0 3 243.310 1.866 20 30 BDEDHN C[C@@H](CCO)CNC[C@H](C#N)CCC#N ZINC000564977796 388904487 /nfs/dbraw/zinc/90/44/87/388904487.db2.gz ZLUVIELDQLGYQJ-QWRGUYRKSA-N 0 3 209.293 1.038 20 30 BDEDHN 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/nfs/dbraw/zinc/19/72/43/585197243.db2.gz NSPFSVDPSKNDEU-LBPRGKRZSA-N 0 3 224.348 1.943 20 30 BDEDHN C#CCN1CCC(CCC(=O)OCC)CC1 ZINC000749551813 585203707 /nfs/dbraw/zinc/20/37/07/585203707.db2.gz PSHQSZOFTKYBTA-UHFFFAOYSA-N 0 3 223.316 1.675 20 30 BDEDHN CC(C#N)C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000752564838 585247936 /nfs/dbraw/zinc/24/79/36/585247936.db2.gz WGRLWZWTSPZFSI-HZMBPMFUSA-N 0 3 244.294 1.096 20 30 BDEDHN CN1CCc2cc(C=NN3CCOCC3)ccc21 ZINC000752718882 585248798 /nfs/dbraw/zinc/24/87/98/585248798.db2.gz QUUZRNKZUVYUGC-UHFFFAOYSA-N 0 3 245.326 1.345 20 30 BDEDHN C#CCOCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000753759898 585268065 /nfs/dbraw/zinc/26/80/65/585268065.db2.gz GXKSWUOBRZNXNR-NSHDSACASA-N 0 3 247.294 1.716 20 30 BDEDHN C#CCOCCN[C@@H](C)c1ccc(OC)cc1 ZINC000753761623 585268334 /nfs/dbraw/zinc/26/83/34/585268334.db2.gz NZESYPJEXCFIPG-LBPRGKRZSA-N 0 3 233.311 1.996 20 30 BDEDHN Cn1cccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753941218 585272356 /nfs/dbraw/zinc/27/23/56/585272356.db2.gz 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1.456 20 30 BDEDHN C#C[C@@H](NCCC1(O)CCC1)[C@@H]1CCCO1 ZINC000839563633 585331391 /nfs/dbraw/zinc/33/13/91/585331391.db2.gz KLYRGBUOHXCJQU-NEPJUHHUSA-N 0 3 223.316 1.062 20 30 BDEDHN C=C(Cl)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000839613974 585332287 /nfs/dbraw/zinc/33/22/87/585332287.db2.gz NKNUYXWBDJSPRZ-NEPJUHHUSA-N 0 3 245.750 1.649 20 30 BDEDHN C#CCCCN1CCCc2c(cnn2C)C1 ZINC000839625473 585332758 /nfs/dbraw/zinc/33/27/58/585332758.db2.gz RQIXMVTVCGXKOF-UHFFFAOYSA-N 0 3 217.316 1.582 20 30 BDEDHN CC[C@@]1(C)CCN(CC(=O)NCCC#N)C1 ZINC000758739036 585359263 /nfs/dbraw/zinc/35/92/63/585359263.db2.gz GEBNQKVBESZGKP-LBPRGKRZSA-N 0 3 223.320 1.138 20 30 BDEDHN C#CCNC(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000759923405 585383058 /nfs/dbraw/zinc/38/30/58/585383058.db2.gz QJUYESVWQMFRDX-LLVKDONJSA-N 0 3 222.332 1.104 20 30 BDEDHN CC1(OCC(=O)C(C#N)c2ccncn2)CCC1 ZINC000760333596 585390531 /nfs/dbraw/zinc/39/05/31/585390531.db2.gz LQGXNXVHFRIBHX-SNVBAGLBSA-N 0 3 245.282 1.612 20 30 BDEDHN CC(C#N)C(=O)NCCc1ccc(Cl)nc1 ZINC000760804638 585397552 /nfs/dbraw/zinc/39/75/52/585397552.db2.gz RJOOXOYCRIOPIO-MRVPVSSYSA-N 0 3 237.690 1.553 20 30 BDEDHN C#CCCN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000760819599 585397790 /nfs/dbraw/zinc/39/77/90/585397790.db2.gz MUEMDNNOFCKZCD-ZDUSSCGKSA-N 0 3 229.327 1.988 20 30 BDEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000760829960 585398204 /nfs/dbraw/zinc/39/82/04/585398204.db2.gz HBISMPQFEWADNW-GFCCVEGCSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCN1CCC(C2(C)OCCO2)CC1 ZINC000760898677 585401479 /nfs/dbraw/zinc/40/14/79/585401479.db2.gz HKGRYNQLEHFSRY-UHFFFAOYSA-N 0 3 211.305 1.647 20 30 BDEDHN C#CCOCCN(C)CCOc1ccccc1 ZINC000761107787 585409838 /nfs/dbraw/zinc/40/98/38/585409838.db2.gz HVHYTGKIVVKZCW-UHFFFAOYSA-N 0 3 233.311 1.647 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000761868706 585421404 /nfs/dbraw/zinc/42/14/04/585421404.db2.gz YWXDUGQXDHILKA-AEJSXWLSSA-N 0 3 236.271 1.367 20 30 BDEDHN CC#CCNC(=O)NC[C@@H](C)N1CCCCC1 ZINC000762588998 585434313 /nfs/dbraw/zinc/43/43/13/585434313.db2.gz PYNPGSNHAFKJAM-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN CCN(C[C@H](C)C#N)C(=O)C1(N(C)C)CCC1 ZINC000763002801 585441230 /nfs/dbraw/zinc/44/12/30/585441230.db2.gz AHOODSFLEIHKMC-LLVKDONJSA-N 0 3 237.347 1.479 20 30 BDEDHN C[C@H](C#N)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000763030779 585441891 /nfs/dbraw/zinc/44/18/91/585441891.db2.gz RSJBTLDEGNMGIW-SNVBAGLBSA-N 0 3 223.320 1.089 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000763919927 585457063 /nfs/dbraw/zinc/45/70/63/585457063.db2.gz PUFMIHGCRGPZMM-PWSUYJOCSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccoc1C ZINC000764440314 585465726 /nfs/dbraw/zinc/46/57/26/585465726.db2.gz BSUSWDAZKJRYQV-UHFFFAOYSA-N 0 3 236.315 1.664 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)[C@H](C)CC ZINC000764539655 585467743 /nfs/dbraw/zinc/46/77/43/585467743.db2.gz QOLXUBUTIXTPPS-MWLCHTKSSA-N 0 3 212.337 1.655 20 30 BDEDHN c1cnc(N=NC2CCN3CCC[C@H]23)cn1 ZINC000765572165 585490005 /nfs/dbraw/zinc/49/00/05/585490005.db2.gz KAPAYNWPBZMSTG-SNVBAGLBSA-N 0 3 217.276 1.113 20 30 BDEDHN c1cnc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000765573382 585490104 /nfs/dbraw/zinc/49/01/04/585490104.db2.gz VDEVLTLTUYCHTF-SNVBAGLBSA-N 0 3 217.276 1.113 20 30 BDEDHN Fc1cnc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000765584747 585490650 /nfs/dbraw/zinc/49/06/50/585490650.db2.gz RBGQANFYRNEBBB-SNVBAGLBSA-N 0 3 235.266 1.252 20 30 BDEDHN Cc1nnc(C)n1N=C1CC(C(F)F)C1 ZINC000766014348 585496126 /nfs/dbraw/zinc/49/61/26/585496126.db2.gz CZMZMNBJUGYONH-UHFFFAOYSA-N 0 3 214.219 1.774 20 30 BDEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1ccccn1 ZINC000766253459 585499691 /nfs/dbraw/zinc/49/96/91/585499691.db2.gz WILHRRKXLIARIX-UWVGGRQHSA-N 0 3 244.250 1.211 20 30 BDEDHN C#C[C@@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766665932 585504689 /nfs/dbraw/zinc/50/46/89/585504689.db2.gz ZYGTYVIOPCVWRA-NOZJJQNGSA-N 0 3 247.294 1.272 20 30 BDEDHN C#C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766665932 585504690 /nfs/dbraw/zinc/50/46/90/585504690.db2.gz ZYGTYVIOPCVWRA-NOZJJQNGSA-N 0 3 247.294 1.272 20 30 BDEDHN C#CCCCN1CCN(CCOC(C)C)CC1 ZINC000766903637 585510876 /nfs/dbraw/zinc/51/08/76/585510876.db2.gz UFQWIQSBVOFJIF-UHFFFAOYSA-N 0 3 238.375 1.442 20 30 BDEDHN CC#CCCCC(=O)N[C@H](CN(C)C)C(C)C ZINC000767049857 585513010 /nfs/dbraw/zinc/51/30/10/585513010.db2.gz AVOLCNHGNBSTHT-CYBMUJFWSA-N 0 3 238.375 1.882 20 30 BDEDHN C=CCN(Cc1cnn(CCOC)c1)C(C)C ZINC000768546728 585540101 /nfs/dbraw/zinc/54/01/01/585540101.db2.gz DBWVBZNGOUQUHL-UHFFFAOYSA-N 0 3 237.347 1.926 20 30 BDEDHN C#CCCN(CC(F)(F)F)C(=O)C(C)C#N ZINC000768618084 585540932 /nfs/dbraw/zinc/54/09/32/585540932.db2.gz NSFYXZDXBQYPCX-QMMMGPOBSA-N 0 3 232.205 1.560 20 30 BDEDHN C#CCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769897963 585566043 /nfs/dbraw/zinc/56/60/43/585566043.db2.gz KMTDKMUHSSNTAB-UWVGGRQHSA-N 0 3 235.249 1.645 20 30 BDEDHN C#CCCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770000255 585569085 /nfs/dbraw/zinc/56/90/85/585569085.db2.gz ANGHDACJDAXUHL-LBPRGKRZSA-N 0 3 243.372 1.299 20 30 BDEDHN CO[C@@H](C(=O)C(C#N)c1ccncn1)C(C)C ZINC000770917633 585584421 /nfs/dbraw/zinc/58/44/21/585584421.db2.gz KIYJMJBZXDNZCO-BXKDBHETSA-N 0 3 233.271 1.324 20 30 BDEDHN C#CCNC(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000771465896 585594474 /nfs/dbraw/zinc/59/44/74/585594474.db2.gz YESLTSFNHUMFGB-LBPRGKRZSA-N 0 3 234.343 1.248 20 30 BDEDHN C#CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000771511420 585595513 /nfs/dbraw/zinc/59/55/13/585595513.db2.gz UXTHMODDGNHERA-BXUZGUMPSA-N 0 3 230.311 1.427 20 30 BDEDHN N#Cc1cccc(CN[C@@H](CCO)C2CC2)c1F ZINC000771800555 585600501 /nfs/dbraw/zinc/60/05/01/585600501.db2.gz GVWUILDQXKDQQM-ZDUSSCGKSA-N 0 3 248.301 1.948 20 30 BDEDHN C[C@@H](CC#N)NN=C1CCN(C)[C@H](C)C1 ZINC000771885039 585603499 /nfs/dbraw/zinc/60/34/99/585603499.db2.gz HZMHTYALBJTCAI-VHSXEESVSA-N 0 3 208.309 1.348 20 30 BDEDHN CCN(CC)CCOC(=O)C#Cc1ccccc1 ZINC000771921907 585604681 /nfs/dbraw/zinc/60/46/81/585604681.db2.gz NIIJLRPLAABWIE-UHFFFAOYSA-N 0 3 245.322 1.923 20 30 BDEDHN CCN(CC)CCOC(=O)c1ccc(C#N)nc1 ZINC000772135008 585608803 /nfs/dbraw/zinc/60/88/03/585608803.db2.gz KEKJNKSNXDMQAW-UHFFFAOYSA-N 0 3 247.298 1.452 20 30 BDEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)NCCC#N ZINC000772341107 585613131 /nfs/dbraw/zinc/61/31/31/585613131.db2.gz CDNZZWFURNSGAC-MNOVXSKESA-N 0 3 223.320 1.279 20 30 BDEDHN C#C[C@H](NCCCCC(=O)OC)[C@@H]1CCCO1 ZINC000859258217 589023870 /nfs/dbraw/zinc/02/38/70/589023870.db2.gz KTBLDSOFVTXOJI-RYUDHWBXSA-N 0 3 239.315 1.100 20 30 BDEDHN CCOCCON=Cc1cnccc1N(C)C ZINC000774422854 585658305 /nfs/dbraw/zinc/65/83/05/585658305.db2.gz PWFMZDRODDDPJE-UHFFFAOYSA-N 0 3 237.303 1.535 20 30 BDEDHN CC(C)N1CC(=NOC2CCOCC2)[C@@H](C)C1 ZINC000774457708 585659523 /nfs/dbraw/zinc/65/95/23/585659523.db2.gz MASOPOLRSSVMPG-NSHDSACASA-N 0 3 240.347 1.898 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775228394 585673640 /nfs/dbraw/zinc/67/36/40/585673640.db2.gz UBIFQYFSOAKEJV-LLVKDONJSA-N 0 3 246.266 1.142 20 30 BDEDHN C#C[C@H](NCCOCCC(C)C)[C@@H]1CCCO1 ZINC000775792916 585685154 /nfs/dbraw/zinc/68/51/54/585685154.db2.gz UFMHEQUOCPDMIE-KBPBESRZSA-N 0 3 239.359 1.820 20 30 BDEDHN C#C[C@H](NCCCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000775799523 585685214 /nfs/dbraw/zinc/68/52/14/585685214.db2.gz KRXGILUBVVNEHH-KBPBESRZSA-N 0 3 247.342 1.123 20 30 BDEDHN C#C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000775999951 585689288 /nfs/dbraw/zinc/68/92/88/585689288.db2.gz JEUSNPYIPGGJHB-OCCSQVGLSA-N 0 3 249.285 1.802 20 30 BDEDHN C#CCCN1CCN(CCc2cccnc2)CC1 ZINC000776594786 585702224 /nfs/dbraw/zinc/70/22/24/585702224.db2.gz UEEQGEJPHUFYTL-UHFFFAOYSA-N 0 3 243.354 1.265 20 30 BDEDHN COC[C@@H](C)NN=Cc1ccc2c(c1)CCN2C ZINC000777891730 585722286 /nfs/dbraw/zinc/72/22/86/585722286.db2.gz SBSSKBZMGQGYDM-LLVKDONJSA-N 0 3 247.342 1.637 20 30 BDEDHN CC(C)OCCNN=C1CCN(C)[C@H](C)C1 ZINC000778547935 585737021 /nfs/dbraw/zinc/73/70/21/585737021.db2.gz MXTSJFTYEWSUAA-LLVKDONJSA-N 0 3 227.352 1.471 20 30 BDEDHN C=C[C@@H]1CCCCN1C(=S)NCCN(C)C ZINC000782410492 585817896 /nfs/dbraw/zinc/81/78/96/585817896.db2.gz WYTCYQYKMQSSES-LLVKDONJSA-N 0 3 241.404 1.463 20 30 BDEDHN C[C@@H]1CN(CC(=O)NCCC#N)[C@H]2CCCC[C@@H]12 ZINC000782504644 585819184 /nfs/dbraw/zinc/81/91/84/585819184.db2.gz RSCLJFVCRMXTLD-AGIUHOORSA-N 0 3 249.358 1.527 20 30 BDEDHN C#CCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000782575905 585820290 /nfs/dbraw/zinc/82/02/90/585820290.db2.gz ZBZUBFLEZPTGCR-UHFFFAOYSA-N 0 3 237.347 1.135 20 30 BDEDHN C#CC(=O)Nc1ccccc1CCN(C)C ZINC000783852769 585844605 /nfs/dbraw/zinc/84/46/05/585844605.db2.gz ZZPMXXIORHYWPP-UHFFFAOYSA-N 0 3 216.284 1.362 20 30 BDEDHN C=CCN1CCC(NC(=O)[C@H](F)C(C)C)CC1 ZINC000784397957 585858467 /nfs/dbraw/zinc/85/84/67/585858467.db2.gz NYSWZRCRTFOXJF-GFCCVEGCSA-N 0 3 242.338 1.747 20 30 BDEDHN C=C[C@H]1CCCCN1CCN1CCOC1=O ZINC000785998253 585884966 /nfs/dbraw/zinc/88/49/66/585884966.db2.gz ASTNGKVFPBWIIL-NSHDSACASA-N 0 3 224.304 1.479 20 30 BDEDHN C#CCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000786441547 585891628 /nfs/dbraw/zinc/89/16/28/585891628.db2.gz BPIFDHGKRIFHKY-YNEHKIRRSA-N 0 3 235.327 1.673 20 30 BDEDHN C=C[C@](C)(CC)COC(=O)C1CCN(C)C1=O ZINC000786518774 585893875 /nfs/dbraw/zinc/89/38/75/585893875.db2.gz IRQMPIMFSXFTGX-GXFFZTMASA-N 0 3 239.315 1.610 20 30 BDEDHN C#CCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000787433682 585909221 /nfs/dbraw/zinc/90/92/21/585909221.db2.gz NTHUZLDZQGLPSV-CYBMUJFWSA-N 0 3 234.343 1.533 20 30 BDEDHN C#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000788203991 585919365 /nfs/dbraw/zinc/91/93/65/585919365.db2.gz YFQSNRTVVHOHSF-CQSZACIVSA-N 0 3 247.338 1.816 20 30 BDEDHN C#CCOc1ccc(CN2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270827 585920141 /nfs/dbraw/zinc/92/01/41/585920141.db2.gz SNPXSKODBCVXJH-JSGCOSHPSA-N 0 3 245.322 1.654 20 30 BDEDHN CC#CC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000788291353 585921233 /nfs/dbraw/zinc/92/12/33/585921233.db2.gz SDOLPTGPOLILMW-RYUDHWBXSA-N 0 3 222.332 1.246 20 30 BDEDHN C=CCN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788472593 585925245 /nfs/dbraw/zinc/92/52/45/585925245.db2.gz DKWBRYKIAALLGN-LLVKDONJSA-N 0 3 221.304 1.341 20 30 BDEDHN C#CCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000791590480 585984701 /nfs/dbraw/zinc/98/47/01/585984701.db2.gz MPDHUGVFFANVNE-QWHCGFSZSA-N 0 3 223.316 1.280 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@](C)(OC)C1CC1 ZINC000794401067 586039082 /nfs/dbraw/zinc/03/90/82/586039082.db2.gz YGXHXVWNKCAZPO-ZDUSSCGKSA-N 0 3 240.347 1.036 20 30 BDEDHN C#CC(C)(C)N(C)CCn1ccccc1=O ZINC000794578841 586045036 /nfs/dbraw/zinc/04/50/36/586045036.db2.gz KVDBFMIMVNLURK-UHFFFAOYSA-N 0 3 218.300 1.192 20 30 BDEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(N)=O ZINC000795328400 586074986 /nfs/dbraw/zinc/07/49/86/586074986.db2.gz GSKKPKNODTXHCO-AAEUAGOBSA-N 0 3 230.311 1.084 20 30 BDEDHN C#CCNC(=O)CN(CC1CC1)CC1CCC1 ZINC000796576268 586107495 /nfs/dbraw/zinc/10/74/95/586107495.db2.gz WNGFTRFBRIRLSC-UHFFFAOYSA-N 0 3 234.343 1.248 20 30 BDEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1ccncn1 ZINC000796845429 586114646 /nfs/dbraw/zinc/11/46/46/586114646.db2.gz IXRDTVAEOIAIAO-OUJBWJOFSA-N 0 3 247.298 1.714 20 30 BDEDHN CC(=NNCC(C)(C)CO)c1ccc(N)cc1C ZINC000799117837 586158419 /nfs/dbraw/zinc/15/84/19/586158419.db2.gz YXTHCVHAFYBHDM-UHFFFAOYSA-N 0 3 249.358 1.909 20 30 BDEDHN C#C[C@](C)(CC)NC[C@H](O)CC1(O)CCC1 ZINC000859318467 589031269 /nfs/dbraw/zinc/03/12/69/589031269.db2.gz BREVGAFCBWSDEJ-VXGBXAGGSA-N 0 3 225.332 1.044 20 30 BDEDHN C[C@](O)(CN[C@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000799719270 586193724 /nfs/dbraw/zinc/19/37/24/586193724.db2.gz XTBFSVZWSYVXJD-MDZLAQPJSA-N 0 3 234.299 1.769 20 30 BDEDHN C#CCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800457975 586220816 /nfs/dbraw/zinc/22/08/16/586220816.db2.gz QRUDWRBFCQTBHG-LBPRGKRZSA-N 0 3 243.372 1.299 20 30 BDEDHN C=CCOC(=O)C1CCN(C2CC2)CC1 ZINC000801871640 586275814 /nfs/dbraw/zinc/27/58/14/586275814.db2.gz OSAHZCNJWZCVRN-UHFFFAOYSA-N 0 3 209.289 1.590 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(n2cccn2)CC1 ZINC000801919944 586277548 /nfs/dbraw/zinc/27/75/48/586277548.db2.gz KOLQKRUKURAPJI-LBPRGKRZSA-N 0 3 248.330 1.449 20 30 BDEDHN C[C@@H](C#N)OCCN1CCOCC[C@H]1C ZINC000801938514 586279674 /nfs/dbraw/zinc/27/96/74/586279674.db2.gz FWEXOELTQPOFRJ-MNOVXSKESA-N 0 3 212.293 1.026 20 30 BDEDHN C#CCC(CC#C)C(=O)NCCN(C)CCCC ZINC000806843620 586419694 /nfs/dbraw/zinc/41/96/94/586419694.db2.gz GLWUHYTUMZIUFX-UHFFFAOYSA-N 0 3 248.370 1.497 20 30 BDEDHN CC[C@@](C)(C#N)C(=O)NCCN1CCC[C@H]1C ZINC000807272010 586430887 /nfs/dbraw/zinc/43/08/87/586430887.db2.gz VLWNKMFJIUJVPL-YPMHNXCESA-N 0 3 237.347 1.527 20 30 BDEDHN C#CCC(CC#C)C(=O)NCCN1CCC[C@@H]1C ZINC000807270919 586431258 /nfs/dbraw/zinc/43/12/58/586431258.db2.gz CQXVMBYJHBKKBW-ZDUSSCGKSA-N 0 3 246.354 1.250 20 30 BDEDHN CCCCCNC(=O)C(C#N)C(=O)CCCC#N ZINC000813058865 586589991 /nfs/dbraw/zinc/58/99/91/586589991.db2.gz OOMJMSHTZNENDG-LLVKDONJSA-N 0 3 249.314 1.696 20 30 BDEDHN CCCCCNC(=O)C(C#N)C(=O)CCCC#N ZINC000813058866 586590045 /nfs/dbraw/zinc/59/00/45/586590045.db2.gz OOMJMSHTZNENDG-NSHDSACASA-N 0 3 249.314 1.696 20 30 BDEDHN CC(COC(=O)c1ccc(C#N)s1)[N+](=O)[O-] ZINC000813104153 586592416 /nfs/dbraw/zinc/59/24/16/586592416.db2.gz XDWLDXJEAZVEPU-LURJTMIESA-N 0 3 240.240 1.442 20 30 BDEDHN C#CCN(CC)C(=O)CC1CCN(C)CC1 ZINC000813419690 586601836 /nfs/dbraw/zinc/60/18/36/586601836.db2.gz APIDOXYEBDOZFR-UHFFFAOYSA-N 0 3 222.332 1.200 20 30 BDEDHN C=CCCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000814144893 586614743 /nfs/dbraw/zinc/61/47/43/586614743.db2.gz JSRWIXWABHLMIZ-NEPJUHHUSA-N 0 3 222.332 1.505 20 30 BDEDHN C=CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC000840321949 586622069 /nfs/dbraw/zinc/62/20/69/586622069.db2.gz UGNGXSZEPRIACZ-LLVKDONJSA-N 0 3 212.337 1.750 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1nccs1 ZINC000814885538 586643145 /nfs/dbraw/zinc/64/31/45/586643145.db2.gz CRIBVNJTBRBOJD-DTORHVGOSA-N 0 3 249.343 1.337 20 30 BDEDHN C=CCC(F)(F)C(=O)NCCN1CC[C@H](C)C1 ZINC000815737563 586692851 /nfs/dbraw/zinc/69/28/51/586692851.db2.gz PBGOENVMYBDBFT-JTQLQIEISA-N 0 3 246.301 1.656 20 30 BDEDHN C#CCC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000816954490 586774357 /nfs/dbraw/zinc/77/43/57/586774357.db2.gz CEVDHQFYWQYWRE-NWDGAFQWSA-N 0 3 234.343 1.198 20 30 BDEDHN CC#CC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000817021356 586779213 /nfs/dbraw/zinc/77/92/13/586779213.db2.gz DQNOOWUHFFOAPF-GFCCVEGCSA-N 0 3 234.343 1.343 20 30 BDEDHN C#CCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000817161700 586784598 /nfs/dbraw/zinc/78/45/98/586784598.db2.gz NCGRTNJEOFFAIC-GFCCVEGCSA-N 0 3 237.347 1.135 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)C[C@H]1CCCN1C ZINC000817490221 586807548 /nfs/dbraw/zinc/80/75/48/586807548.db2.gz AFKHAGPPTIPDNW-GFCCVEGCSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCOc1ccc(CNC[C@H](O)CC)cc1 ZINC000817709082 586819191 /nfs/dbraw/zinc/81/91/91/586819191.db2.gz JVOLVRDXWWWSJF-CYBMUJFWSA-N 0 3 233.311 1.559 20 30 BDEDHN C[C@H](C#N)OCCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925525 589070915 /nfs/dbraw/zinc/07/09/15/589070915.db2.gz NFFRIEGBLZCKBM-FRRDWIJNSA-N 0 3 238.331 1.009 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000818027305 586865508 /nfs/dbraw/zinc/86/55/08/586865508.db2.gz OMAIOKRRUCFLOF-JTQLQIEISA-N 0 3 249.314 1.082 20 30 BDEDHN C[C@H](CNCCC#N)CC1(C)OCCO1 ZINC000819095308 586930887 /nfs/dbraw/zinc/93/08/87/586930887.db2.gz DNXAWUHWDFKYQA-JTQLQIEISA-N 0 3 212.293 1.279 20 30 BDEDHN N#Cc1ccc(CNCC2(O)CCCC2)nc1 ZINC000819311420 586950234 /nfs/dbraw/zinc/95/02/34/586950234.db2.gz JNQUULRHKSJNOB-UHFFFAOYSA-N 0 3 231.299 1.348 20 30 BDEDHN CC(C)CC[C@@H](O)CNCc1ccc(C#N)cn1 ZINC000819310861 586950351 /nfs/dbraw/zinc/95/03/51/586950351.db2.gz FBUAYBWTBUEEBT-CQSZACIVSA-N 0 3 247.342 1.840 20 30 BDEDHN C#CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819692691 586986641 /nfs/dbraw/zinc/98/66/41/586986641.db2.gz GVGCTQAJJMFMRO-UHFFFAOYSA-N 0 3 241.298 1.370 20 30 BDEDHN C#CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819692691 586986644 /nfs/dbraw/zinc/98/66/44/586986644.db2.gz GVGCTQAJJMFMRO-UHFFFAOYSA-N 0 3 241.298 1.370 20 30 BDEDHN C#C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000820399273 587046212 /nfs/dbraw/zinc/04/62/12/587046212.db2.gz CTBWHCUIPYFDGC-VXGBXAGGSA-N 0 3 249.358 1.134 20 30 BDEDHN C#CC[C@H](CO)NCc1cnc2ccc(C)cn12 ZINC000821206300 587101479 /nfs/dbraw/zinc/10/14/79/587101479.db2.gz BUMGKVGGABNZJZ-GFCCVEGCSA-N 0 3 243.310 1.117 20 30 BDEDHN C[C@@H]1CC(NC(=O)CN(C)CC(C)(C)C)=NO1 ZINC000821394696 587116162 /nfs/dbraw/zinc/11/61/62/587116162.db2.gz MIDNFPYSXTUCMT-SECBINFHSA-N 0 3 241.335 1.203 20 30 BDEDHN CS[C@H]1CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000822476355 587170442 /nfs/dbraw/zinc/17/04/42/587170442.db2.gz LTSNFSHRKWLJEL-RYUDHWBXSA-N 0 3 233.340 1.937 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000825257086 587311088 /nfs/dbraw/zinc/31/10/88/587311088.db2.gz ULQYKZPLHWQVHO-WCFLWFBJSA-N 0 3 246.310 1.590 20 30 BDEDHN C#CCCCNCc1cc(C)c(C(=O)OC)o1 ZINC000825320396 587314797 /nfs/dbraw/zinc/31/47/97/587314797.db2.gz KKQBZZUPOQXRFU-UHFFFAOYSA-N 0 3 235.283 1.878 20 30 BDEDHN C#C[C@@H](C)NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825878453 587343323 /nfs/dbraw/zinc/34/33/23/587343323.db2.gz OACSJWFCZDUZCI-IUODEOHRSA-N 0 3 245.322 1.966 20 30 BDEDHN C=CCONC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000827143553 587370978 /nfs/dbraw/zinc/37/09/78/587370978.db2.gz PIKCPSVOUZZVAT-LLVKDONJSA-N 0 3 241.335 1.230 20 30 BDEDHN CCN1CCCC[C@H]1CNC(=O)C#CC(C)C ZINC000827203668 587372908 /nfs/dbraw/zinc/37/29/08/587372908.db2.gz FYRWNZIBQBRFAD-ZDUSSCGKSA-N 0 3 236.359 1.636 20 30 BDEDHN C#Cc1cnc(N[C@H](C)CN2CCCCC2)nc1 ZINC000827390500 587379524 /nfs/dbraw/zinc/37/95/24/587379524.db2.gz PBCGMZCAUKAUFI-GFCCVEGCSA-N 0 3 244.342 1.744 20 30 BDEDHN C#C[C@H](NCc1ccnn1CC)C1CCOCC1 ZINC000827565897 587389113 /nfs/dbraw/zinc/38/91/13/587389113.db2.gz QALVAQYXBLBLNB-AWEZNQCLSA-N 0 3 247.342 1.421 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC(n2cccn2)CC1 ZINC000827777310 587401954 /nfs/dbraw/zinc/40/19/54/587401954.db2.gz AZSZUUPGIXVRPK-ZDUSSCGKSA-N 0 3 235.331 1.457 20 30 BDEDHN C=CCN(CCNC(=O)NC(C)C)C(C)C ZINC000827798591 587403081 /nfs/dbraw/zinc/40/30/81/587403081.db2.gz LWSXVISWKWHGSV-UHFFFAOYSA-N 0 3 227.352 1.590 20 30 BDEDHN C#C[C@@H](NCC1=CCCC1)[C@@H]1CCCO1 ZINC000828306909 587433535 /nfs/dbraw/zinc/43/35/35/587433535.db2.gz KACNRCJJTNHETB-OLZOCXBDSA-N 0 3 205.301 1.867 20 30 BDEDHN C#C[C@@H](NCCc1cccc(C)n1)[C@H]1CCCO1 ZINC000828307457 587433615 /nfs/dbraw/zinc/43/36/15/587433615.db2.gz ORHFLUCERZVZJW-HUUCEWRRSA-N 0 3 244.338 1.703 20 30 BDEDHN C=CCCCCN1CCN(CCCCO)CC1 ZINC000828349288 587437984 /nfs/dbraw/zinc/43/79/84/587437984.db2.gz SDBYYSSOVIHNOY-UHFFFAOYSA-N 0 3 240.391 1.733 20 30 BDEDHN C=C(C)[C@@H](CO)N1CC[C@@H](C(F)(F)F)C1 ZINC000828528927 587448103 /nfs/dbraw/zinc/44/81/03/587448103.db2.gz DGWSOZOTHLIYAP-RKDXNWHRSA-N 0 3 223.238 1.808 20 30 BDEDHN CC(C#N)C(=O)NCc1noc2cc(F)ccc12 ZINC000828773984 587461471 /nfs/dbraw/zinc/46/14/71/587461471.db2.gz NCPBVVVGDPTUQY-SSDOTTSWSA-N 0 3 247.229 1.743 20 30 BDEDHN C#CC[C@H]1CCCN(CC(=O)N2CCCCC2)C1 ZINC000829773959 587514881 /nfs/dbraw/zinc/51/48/81/587514881.db2.gz LSVCURZDHCOIES-AWEZNQCLSA-N 0 3 248.370 1.734 20 30 BDEDHN C#CC[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000829775212 587515143 /nfs/dbraw/zinc/51/51/43/587515143.db2.gz ZHSZGXACMHJNPH-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CC[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000829810860 587518704 /nfs/dbraw/zinc/51/87/04/587518704.db2.gz VBIYXMBZJTWYKV-VHSXEESVSA-N 0 3 235.249 1.645 20 30 BDEDHN C#CC1CCN(CC2(CC(=O)OC)CC2)CC1 ZINC000830345792 587546759 /nfs/dbraw/zinc/54/67/59/587546759.db2.gz STLXGZBYXGTFGN-UHFFFAOYSA-N 0 3 235.327 1.675 20 30 BDEDHN CC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831699362 587628213 /nfs/dbraw/zinc/62/82/13/587628213.db2.gz MEIIOOIUIGEKQP-SNVBAGLBSA-N 0 3 224.304 1.564 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@]1(C)CCCCO1 ZINC000832471082 587661982 /nfs/dbraw/zinc/66/19/82/587661982.db2.gz MZWATZQHNAEBEW-ZDUSSCGKSA-N 0 3 240.347 1.180 20 30 BDEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000834476095 587755757 /nfs/dbraw/zinc/75/57/57/587755757.db2.gz MYZUXVOFFFAVOI-AWEZNQCLSA-N 0 3 248.370 1.779 20 30 BDEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(C)nn1C ZINC000834902457 587769865 /nfs/dbraw/zinc/76/98/65/587769865.db2.gz AXADRORFNRHVCA-VXGBXAGGSA-N 0 3 237.347 1.706 20 30 BDEDHN C[C@H](CO)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834964341 587773260 /nfs/dbraw/zinc/77/32/60/587773260.db2.gz KXGUEJFHYZCRPH-CMMRPPCJSA-N 0 3 247.342 1.722 20 30 BDEDHN C=CCON=C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000835015629 587778516 /nfs/dbraw/zinc/77/85/16/587778516.db2.gz SFNYITXXZOWRAW-BETUJISGSA-N 0 3 238.331 1.818 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(C)C ZINC000835061927 587780016 /nfs/dbraw/zinc/78/00/16/587780016.db2.gz LNTHCQQEFKSDAU-LLVKDONJSA-N 0 3 236.315 1.824 20 30 BDEDHN C#Cc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1 ZINC000835062075 587780068 /nfs/dbraw/zinc/78/00/68/587780068.db2.gz YAGJUVVIIBNAFY-OAHLLOKOSA-N 0 3 242.322 1.426 20 30 BDEDHN CN(C)C1(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCC1 ZINC000836796788 587837105 /nfs/dbraw/zinc/83/71/05/587837105.db2.gz UOCVMJIFFIHFKK-RYUDHWBXSA-N 0 3 249.358 1.669 20 30 BDEDHN C[C@H]1CCCN(CCNC(=O)C#CC2CC2)C1 ZINC000837344211 587868456 /nfs/dbraw/zinc/86/84/56/587868456.db2.gz JZGIBUSEBQMGJM-LBPRGKRZSA-N 0 3 234.343 1.248 20 30 BDEDHN CN(C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC000837387115 587869949 /nfs/dbraw/zinc/86/99/49/587869949.db2.gz AFZWPWSOXVVJCV-GFCCVEGCSA-N 0 3 236.359 1.589 20 30 BDEDHN C[C@H]1C[C@H](NC(=O)C#CC2CC2)CN1C1CC1 ZINC000837461679 587875001 /nfs/dbraw/zinc/87/50/01/587875001.db2.gz KWNWQZKZDVELHK-JQWIXIFHSA-N 0 3 232.327 1.141 20 30 BDEDHN CC(C)N1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC000837693542 587891229 /nfs/dbraw/zinc/89/12/29/587891229.db2.gz RNKWNQUZZXOZQP-CYBMUJFWSA-N 0 3 234.343 1.341 20 30 BDEDHN C[C@@H]1CCC(=NNC2=NCCN2)c2sccc21 ZINC000841659039 587969066 /nfs/dbraw/zinc/96/90/66/587969066.db2.gz HRXXFUQSAOKYOG-MRVPVSSYSA-N 0 3 248.355 1.898 20 30 BDEDHN CCN(CC)CC#C[C@@H](C)OC(=O)C1(F)CC1 ZINC000842738785 588057576 /nfs/dbraw/zinc/05/75/76/588057576.db2.gz WEAQTQBIQUHDHX-LLVKDONJSA-N 0 3 241.306 1.765 20 30 BDEDHN C=CCCc1noc([C@@]2(F)CCNC2)n1 ZINC000843238322 588095289 /nfs/dbraw/zinc/09/52/89/588095289.db2.gz PIODZDVRRXNZNI-SNVBAGLBSA-N 0 3 211.240 1.346 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCOCC1CCC1 ZINC000843963130 588151726 /nfs/dbraw/zinc/15/17/26/588151726.db2.gz PXHAFGYQHURQNO-UHFFFAOYSA-N 0 3 240.347 1.037 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccc(C)cn1 ZINC000844011251 588152667 /nfs/dbraw/zinc/15/26/67/588152667.db2.gz SGXYRJLNYYLLRG-UHFFFAOYSA-N 0 3 233.315 1.124 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000844107573 588167978 /nfs/dbraw/zinc/16/79/78/588167978.db2.gz PGTLOSCXCIOHMH-VHSXEESVSA-N 0 3 228.361 1.114 20 30 BDEDHN C=CCN(C[C@@H]1CN(C2CC2)C(=O)O1)C(C)C ZINC000844277237 588179573 /nfs/dbraw/zinc/17/95/73/588179573.db2.gz KRCGQOFDMDOHNJ-GFCCVEGCSA-N 0 3 238.331 1.866 20 30 BDEDHN CC[C@H](O)CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371293 588188061 /nfs/dbraw/zinc/18/80/61/588188061.db2.gz XRFCMKFUZIWFHU-UONOGXRCSA-N 0 3 248.326 1.294 20 30 BDEDHN C=CCC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448431 588194699 /nfs/dbraw/zinc/19/46/99/588194699.db2.gz ABLAVIDEQIWBIV-LPEHRKFASA-N 0 3 217.259 1.510 20 30 BDEDHN N#CCSCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453024 588195863 /nfs/dbraw/zinc/19/58/63/588195863.db2.gz SWTLEOYJQSEODS-DTORHVGOSA-N 0 3 232.299 1.830 20 30 BDEDHN C=C[C@H](C)ONC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000845637090 588239166 /nfs/dbraw/zinc/23/91/66/588239166.db2.gz WLNQIZNPOMDTTC-ZJUUUORDSA-N 0 3 241.335 1.274 20 30 BDEDHN CCON(C)C(=O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000846064444 588255441 /nfs/dbraw/zinc/25/54/41/588255441.db2.gz MKTXVUJIPVTIAQ-QWRGUYRKSA-N 0 3 239.319 1.068 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC(F)(F)C1 ZINC000846360907 588264912 /nfs/dbraw/zinc/26/49/12/588264912.db2.gz SVUGKKGMVQCDDN-UHFFFAOYSA-N 0 3 232.274 1.362 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1CC2(CCC2)C1 ZINC000846604932 588279185 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/nfs/dbraw/zinc/30/21/80/588302180.db2.gz QEPLMCGRVOMOSD-LBPRGKRZSA-N 0 3 217.316 1.574 20 30 BDEDHN C#C[C@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000847020000 588302367 /nfs/dbraw/zinc/30/23/67/588302367.db2.gz UTHUXMFRPCLDJH-STQMWFEESA-N 0 3 247.338 1.817 20 30 BDEDHN C#C[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000847024653 588303719 /nfs/dbraw/zinc/30/37/19/588303719.db2.gz JYMPODXRJWEJOB-GFCCVEGCSA-N 0 3 200.285 1.927 20 30 BDEDHN C#CCN1CCC(C(=O)NC2(C)CC=CC2)CC1 ZINC000847154392 588307759 /nfs/dbraw/zinc/30/77/59/588307759.db2.gz ZHQXDLSZAWAOIA-UHFFFAOYSA-N 0 3 246.354 1.557 20 30 BDEDHN C#CCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847447751 588313303 /nfs/dbraw/zinc/31/33/03/588313303.db2.gz TYTRLVZXVITCKI-STQMWFEESA-N 0 3 249.358 1.278 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC)[C@H](C)C(C)C ZINC000848101319 588355635 /nfs/dbraw/zinc/35/56/35/588355635.db2.gz ZVYDZLZFSZRGQA-GFCCVEGCSA-N 0 3 226.364 1.997 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000848277098 588369289 /nfs/dbraw/zinc/36/92/89/588369289.db2.gz NLFXBTNSEZNKAB-OLZOCXBDSA-N 0 3 234.343 1.200 20 30 BDEDHN c1nncn1N=C1CCCN2CCCC[C@@H]12 ZINC000848399269 588377246 /nfs/dbraw/zinc/37/72/46/588377246.db2.gz PEJKWFHDONYPNU-NSHDSACASA-N 0 3 219.292 1.131 20 30 BDEDHN c1cc(N=NC2CCCN3CCCC[C@@H]23)ncn1 ZINC000848412555 588380474 /nfs/dbraw/zinc/38/04/74/588380474.db2.gz UPCJUUAPORRBIN-LBPRGKRZSA-N 0 3 245.330 1.893 20 30 BDEDHN C=CC[C@@H](NC(=O)[C@H](C)NC)c1ccncc1 ZINC000848415409 588380826 /nfs/dbraw/zinc/38/08/26/588380826.db2.gz UHCKKVPTSWGKMZ-CMPLNLGQSA-N 0 3 233.315 1.423 20 30 BDEDHN C#CCCCCNCc1cnc(Cl)n1C ZINC000848539850 588394708 /nfs/dbraw/zinc/39/47/08/588394708.db2.gz OXJXHCZOVHQMAB-UHFFFAOYSA-N 0 3 225.723 1.967 20 30 BDEDHN C=CCC[C@H](CO)NCc1cnc(Cl)n1C ZINC000848555771 588396747 /nfs/dbraw/zinc/39/67/47/588396747.db2.gz WJIVLMHXYQVHLT-SECBINFHSA-N 0 3 243.738 1.490 20 30 BDEDHN C#C[C@H](N[C@@H]1CO[C@@H](CC)C1)[C@H]1CCCO1 ZINC000850251412 588532055 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JMPHSLCPKQZSGE-UHFFFAOYSA-N 0 3 229.287 1.761 20 30 BDEDHN Cc1cc(N=NC2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000863159590 589264618 /nfs/dbraw/zinc/26/46/18/589264618.db2.gz XCXXWMURWTWJTD-NSHDSACASA-N 0 3 246.358 1.940 20 30 BDEDHN Cc1cc(NN=Cc2cnc3n2CCC3)ccn1 ZINC000863161209 589264976 /nfs/dbraw/zinc/26/49/76/589264976.db2.gz ZJIQCROIJIDTMP-UHFFFAOYSA-N 0 3 241.298 1.401 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cc(C)nn1CC ZINC000863380153 589285246 /nfs/dbraw/zinc/28/52/46/589285246.db2.gz SVEKWJKSZFKZAO-UHFFFAOYSA-N 0 3 236.319 1.268 20 30 BDEDHN C#CC[C@H](CCOC)N[C@@H](C)c1cnccn1 ZINC000863390227 589286165 /nfs/dbraw/zinc/28/61/65/589286165.db2.gz IBOBSYBDQQUTCX-NWDGAFQWSA-N 0 3 233.315 1.556 20 30 BDEDHN C#CC[C@H](COC)NC[C@H](O)c1ccc(C)cc1 ZINC000863588951 589302734 /nfs/dbraw/zinc/30/27/34/589302734.db2.gz IQHPPEBIVROEHL-CABCVRRESA-N 0 3 247.338 1.656 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1ccns1 ZINC000863611997 589304441 /nfs/dbraw/zinc/30/44/41/589304441.db2.gz CKKGALYMZVZEQT-VIFPVBQESA-N 0 3 239.344 1.438 20 30 BDEDHN C#C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000863930111 589327387 /nfs/dbraw/zinc/32/73/87/589327387.db2.gz GKIYRXIUZAZJNU-GFCCVEGCSA-N 0 3 234.343 1.343 20 30 BDEDHN CCN(CC)c1ccc(C=NNCCO)cc1 ZINC000864346111 589354809 /nfs/dbraw/zinc/35/48/09/589354809.db2.gz NTGTYRDBPIXQMS-UHFFFAOYSA-N 0 3 235.331 1.449 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CNC2(CO)CC2)cc1 ZINC000120362904 589407671 /nfs/dbraw/zinc/40/76/71/589407671.db2.gz FIXRDYQUWLSFTM-NSHDSACASA-N 0 3 246.310 1.592 20 30 BDEDHN C[C@H](CNC(=O)c1coc(C#N)c1)N1CCCC1 ZINC000865176029 589412672 /nfs/dbraw/zinc/41/26/72/589412672.db2.gz ZJEDRRGDVAUDFK-SNVBAGLBSA-N 0 3 247.298 1.365 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000870141548 589645989 /nfs/dbraw/zinc/64/59/89/589645989.db2.gz ZZQFOFVASALMRL-LZQZFOIKSA-N 0 3 246.310 1.290 20 30 BDEDHN C#C[C@@H](C)NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000123047570 589657563 /nfs/dbraw/zinc/65/75/63/589657563.db2.gz NKFZVPJMWYNSIJ-KPPDAEKUSA-N 0 3 238.331 1.653 20 30 BDEDHN C#C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000123056225 589658097 /nfs/dbraw/zinc/65/80/97/589658097.db2.gz YYICYSOHLVFJPU-ZDUSSCGKSA-N 0 3 244.338 1.635 20 30 BDEDHN CC[C@H](CN(C)C)OC(=O)c1ccc(C#N)nc1 ZINC000870550751 589674008 /nfs/dbraw/zinc/67/40/08/589674008.db2.gz JFIXKSGCEJENAX-GFCCVEGCSA-N 0 3 247.298 1.450 20 30 BDEDHN CC[C@H](CN(C)C)OC(=O)CSCC#N ZINC000870554859 589675363 /nfs/dbraw/zinc/67/53/63/589675363.db2.gz NPCBDIKWCYNVQE-SECBINFHSA-N 0 3 230.333 1.127 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC(C)(F)CC1 ZINC000871074867 589720928 /nfs/dbraw/zinc/72/09/28/589720928.db2.gz MRKJVJVDRKSEAR-UHFFFAOYSA-N 0 3 228.311 1.455 20 30 BDEDHN N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1C1CCOCC1 ZINC000871928164 589834372 /nfs/dbraw/zinc/83/43/72/589834372.db2.gz ACGRCEZDBARAMF-FPMFFAJLSA-N 0 3 247.342 1.835 20 30 BDEDHN CC(=O)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000872099279 589868949 /nfs/dbraw/zinc/86/89/49/589868949.db2.gz BNBWQYDFLBAJIS-UPJWGTAASA-N 0 3 220.316 1.980 20 30 BDEDHN CCC(=Nn1cnnc1)[C@@H]1CCCOC1 ZINC000872323845 589912565 /nfs/dbraw/zinc/91/25/65/589912565.db2.gz BDCPKKKEXSBFEX-SECBINFHSA-N 0 3 208.265 1.319 20 30 BDEDHN CCNc1ccccc1C=NN[C@H](C)CO ZINC000872356097 589917689 /nfs/dbraw/zinc/91/76/89/589917689.db2.gz ZFXWBMLORZXMAY-SNVBAGLBSA-N 0 3 221.304 1.423 20 30 BDEDHN CCNc1ccccc1C=NN1CCC[C@H]1CO ZINC000872385617 589929594 /nfs/dbraw/zinc/92/95/94/589929594.db2.gz JXUARTIHHCTRPT-ZDUSSCGKSA-N 0 3 247.342 1.909 20 30 BDEDHN CCCn1cc(C=NNc2ccnc(C)c2)nn1 ZINC000872393504 589931579 /nfs/dbraw/zinc/93/15/79/589931579.db2.gz YEOTXQJIOKRKGS-UHFFFAOYSA-N 0 3 244.302 1.259 20 30 BDEDHN Cc1cc(N=NC2CCN(C)[C@@H]2C)ccn1 ZINC000872393148 589931623 /nfs/dbraw/zinc/93/16/23/589931623.db2.gz MRVUGYHGZHHIPW-SNVBAGLBSA-N 0 3 218.304 1.304 20 30 BDEDHN CCCN(C(=O)C(C#N)CC)[C@H](C)C(=O)OC ZINC000888607793 589965760 /nfs/dbraw/zinc/96/57/60/589965760.db2.gz GAEFAFMCVOEARF-ZJUUUORDSA-N 0 3 240.303 1.336 20 30 BDEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC12CCC2 ZINC000873024043 589980321 /nfs/dbraw/zinc/98/03/21/589980321.db2.gz FQAYBLWXUDMRLS-GFCCVEGCSA-N 0 3 249.358 1.183 20 30 BDEDHN C=C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874382895 590106362 /nfs/dbraw/zinc/10/63/62/590106362.db2.gz LZZDJSYCNXYSDG-UHFFFAOYSA-N 0 3 208.305 1.261 20 30 BDEDHN COCC1(N(C)C(=O)C(C)C#N)CCC1 ZINC000874937513 590156552 /nfs/dbraw/zinc/15/65/52/590156552.db2.gz HPIFLOBZXDTDHK-VIFPVBQESA-N 0 3 210.277 1.174 20 30 BDEDHN C#CCCCCCCN1CCCC[C@H]1C(N)=O ZINC000876539617 590212139 /nfs/dbraw/zinc/21/21/39/590212139.db2.gz NGPSOJYDLYZALZ-ZDUSSCGKSA-N 0 3 236.359 1.910 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)C ZINC000876547122 590214119 /nfs/dbraw/zinc/21/41/19/590214119.db2.gz IPPYXKBACPVAMY-MRVPVSSYSA-N 0 3 204.701 1.229 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCC ZINC000876548748 590214624 /nfs/dbraw/zinc/21/46/24/590214624.db2.gz RUVHATMYLHYBLO-DTWKUNHWSA-N 0 3 218.728 1.761 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)nn1C ZINC000876552122 590215080 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/nfs/dbraw/zinc/22/55/51/590225551.db2.gz HUDGHGNLJKXMPI-RKDXNWHRSA-N 0 3 248.779 1.420 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C ZINC000876655491 590226464 /nfs/dbraw/zinc/22/64/64/590226464.db2.gz LVYLYYVVEBEBHO-RKDXNWHRSA-N 0 3 216.712 1.467 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(C)C1 ZINC000876656430 590226550 /nfs/dbraw/zinc/22/65/50/590226550.db2.gz ONRXEZRSERGOTF-SECBINFHSA-N 0 3 230.739 1.715 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC)CC1 ZINC000876656338 590226780 /nfs/dbraw/zinc/22/67/80/590226780.db2.gz LJGVNJZFAQEZEX-VIFPVBQESA-N 0 3 230.739 1.763 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000876666771 590227743 /nfs/dbraw/zinc/22/77/43/590227743.db2.gz WMIKUYGIUXIJQI-JTQLQIEISA-N 0 3 242.750 1.859 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCSC1 ZINC000876668528 590228258 /nfs/dbraw/zinc/22/82/58/590228258.db2.gz MHHVGMYCPQAFSB-JGVFFNPUSA-N 0 3 234.752 1.078 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCC1CC1 ZINC000876674051 590229114 /nfs/dbraw/zinc/22/91/14/590229114.db2.gz YKCHSJQFEMARPZ-SNVBAGLBSA-N 0 3 230.739 1.763 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](COC)C(C)C ZINC000876678277 590229751 /nfs/dbraw/zinc/22/97/51/590229751.db2.gz ZLXOZCZGDSVXMU-UWVGGRQHSA-N 0 3 248.754 1.244 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nccs1 ZINC000876731245 590234464 /nfs/dbraw/zinc/23/44/64/590234464.db2.gz OVKXNIYITGRSCZ-ZETCQYMHSA-N 0 3 245.735 1.229 20 30 BDEDHN C#CCCCCCCN1CCN2C(=O)NC[C@@H]2C1 ZINC000876799270 590242722 /nfs/dbraw/zinc/24/27/22/590242722.db2.gz BQPAOXZCVKEKSH-CYBMUJFWSA-N 0 3 249.358 1.280 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000876932149 590258779 /nfs/dbraw/zinc/25/87/79/590258779.db2.gz FLEKPSVCICYPPA-IVZWLZJFSA-N 0 3 241.722 1.265 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000876944262 590259497 /nfs/dbraw/zinc/25/94/97/590259497.db2.gz NUMIDLMKXFBIAK-HRDYMLBCSA-N 0 3 248.779 1.467 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCS[C@H]1C ZINC000876944265 590259603 /nfs/dbraw/zinc/25/96/03/590259603.db2.gz NUMIDLMKXFBIAK-XHNCKOQMSA-N 0 3 248.779 1.467 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1(COC)CC1 ZINC000876962440 590262239 /nfs/dbraw/zinc/26/22/39/590262239.db2.gz RUZRIDCOIHHZBV-SECBINFHSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(C)(C)F ZINC000876967606 590262516 /nfs/dbraw/zinc/26/25/16/590262516.db2.gz JGQONJAUWXHDDU-MRVPVSSYSA-N 0 3 236.718 1.711 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1COC ZINC000877034629 590272073 /nfs/dbraw/zinc/27/20/73/590272073.db2.gz LYTJYJFZXOOFPN-VHSXEESVSA-N 0 3 246.738 1.094 20 30 BDEDHN C[C@H](CCC#N)CNCc1ccn(C)n1 ZINC000877125917 590289892 /nfs/dbraw/zinc/28/98/92/590289892.db2.gz WCBLGEJJYXMYIS-SNVBAGLBSA-N 0 3 206.293 1.450 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC000877131752 590290731 /nfs/dbraw/zinc/29/07/31/590290731.db2.gz JUXHSAJXEMRNBZ-UWVGGRQHSA-N 0 3 242.750 1.905 20 30 BDEDHN COc1ccc(NC(=O)CNC(C)C)cc1C#N ZINC000877272340 590305331 /nfs/dbraw/zinc/30/53/31/590305331.db2.gz UNLGPYQBWPNTCG-UHFFFAOYSA-N 0 3 247.298 1.503 20 30 BDEDHN C=CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877338107 590318097 /nfs/dbraw/zinc/31/80/97/590318097.db2.gz XSANDKDPJXLYLW-LBPRGKRZSA-N 0 3 221.300 1.727 20 30 BDEDHN C#C[C@H](NC[C@H](OC)[C@@H](C)CC)[C@@H]1CCCO1 ZINC000877417068 590324997 /nfs/dbraw/zinc/32/49/97/590324997.db2.gz MVERWSGDYJDYDQ-XUXIUFHCSA-N 0 3 239.359 1.818 20 30 BDEDHN C[C@H](CCC#N)CN1CCC[C@@]12CCOC2=O ZINC000877434743 590327021 /nfs/dbraw/zinc/32/70/21/590327021.db2.gz TZEWSYMKSJEYKT-YPMHNXCESA-N 0 3 236.315 1.708 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)C(F)F ZINC000877456838 590330636 /nfs/dbraw/zinc/33/06/36/590330636.db2.gz WYKMCOCXBRLKBU-RQJHMYQMSA-N 0 3 240.681 1.616 20 30 BDEDHN C#CCCCCCCN1CCCNC(=O)[C@@H]1C ZINC000877470759 590335183 /nfs/dbraw/zinc/33/51/83/590335183.db2.gz JLXUCVFWFWEQLZ-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H](OC)C1CCOCC1 ZINC000877480076 590336831 /nfs/dbraw/zinc/33/68/31/590336831.db2.gz JAJKFXVMRCHWIK-YPMHNXCESA-N 0 3 225.332 1.382 20 30 BDEDHN C#C[C@H](C)N(C)C[C@H](OC)C1CCOCC1 ZINC000877480073 590337428 /nfs/dbraw/zinc/33/74/28/590337428.db2.gz JAJKFXVMRCHWIK-AAEUAGOBSA-N 0 3 225.332 1.382 20 30 BDEDHN C#C[C@@H](CC)N[C@@H](C)Cc1cnccn1 ZINC000877512752 590342480 /nfs/dbraw/zinc/34/24/80/590342480.db2.gz ABNVPJDMMQZQML-QWRGUYRKSA-N 0 3 203.289 1.409 20 30 BDEDHN C#C[C@H](C)N[C@@H](C)Cc1ccnc(OC)c1 ZINC000877514096 590344581 /nfs/dbraw/zinc/34/45/81/590344581.db2.gz JQKQMMAQWUKIJH-QWRGUYRKSA-N 0 3 218.300 1.633 20 30 BDEDHN C=CCCCCCCNCc1cnc(N)nc1N ZINC000877523159 590346471 /nfs/dbraw/zinc/34/64/71/590346471.db2.gz UGXWWKUQFKIOOD-UHFFFAOYSA-N 0 3 249.362 1.867 20 30 BDEDHN CCn1ncc(CNC[C@H](C)CCC#N)n1 ZINC000877648534 590384395 /nfs/dbraw/zinc/38/43/95/590384395.db2.gz PMHKVSJOFUUEKW-SNVBAGLBSA-N 0 3 221.308 1.327 20 30 BDEDHN COC(=O)C1CC(NCc2ccc(C#N)cc2)C1 ZINC000877721575 590400824 /nfs/dbraw/zinc/40/08/24/590400824.db2.gz RVXHOJJKZONZLM-UHFFFAOYSA-N 0 3 244.294 1.599 20 30 BDEDHN C=CCCCCCN(C)CCc1nnnn1C ZINC000878125569 590501277 /nfs/dbraw/zinc/50/12/77/590501277.db2.gz OXUVCYBNHZGTFN-UHFFFAOYSA-N 0 3 237.351 1.431 20 30 BDEDHN C=CC[C@@H](C)N1CCN(CCOC(C)C)CC1 ZINC000878155401 590508599 /nfs/dbraw/zinc/50/85/99/590508599.db2.gz AGOPNHAUBIDWKW-CQSZACIVSA-N 0 3 240.391 1.994 20 30 BDEDHN C=CC[C@H](C)N1CCN2C(=O)OC[C@@H]2C1 ZINC000878194328 590521352 /nfs/dbraw/zinc/52/13/52/590521352.db2.gz GXQHSHJULXSNCL-UWVGGRQHSA-N 0 3 210.277 1.087 20 30 BDEDHN C=CC[C@@H](C)N1CCOC2(CCOCC2)C1 ZINC000878200313 590522763 /nfs/dbraw/zinc/52/27/63/590522763.db2.gz KORMLOPTKQKSKF-GFCCVEGCSA-N 0 3 225.332 1.832 20 30 BDEDHN C#CCCCCCN1CCOC[C@@H]1C[C@@H](C)O ZINC000878438346 590567008 /nfs/dbraw/zinc/56/70/08/590567008.db2.gz ZAYFLIKDJVLARZ-KGLIPLIRSA-N 0 3 239.359 1.652 20 30 BDEDHN C#CCN(C[C@@H]1CCC2(CCOCC2)O1)C1CC1 ZINC000878434201 590567195 /nfs/dbraw/zinc/56/71/95/590567195.db2.gz ITPVSEQFAUJTAO-AWEZNQCLSA-N 0 3 249.354 1.812 20 30 BDEDHN C#CCCCCCN1CCCN(CC)C(=O)C1 ZINC000878495050 590579618 /nfs/dbraw/zinc/57/96/18/590579618.db2.gz HBVXOSAGCGCGHI-UHFFFAOYSA-N 0 3 236.359 1.734 20 30 BDEDHN C=CC[C@H](C)N1CC[S@@](=O)C[C@H](C)C1 ZINC000878514105 590584539 /nfs/dbraw/zinc/58/45/39/590584539.db2.gz QKQSFUJLGMNAPW-UHIISALHSA-N 0 3 215.362 1.651 20 30 BDEDHN C#C[C@H](C)N(C)C[C@H]1CC2(CO1)CCOCC2 ZINC000878516907 590585176 /nfs/dbraw/zinc/58/51/76/590585176.db2.gz LIPOIHZHXCBVME-QWHCGFSZSA-N 0 3 237.343 1.526 20 30 BDEDHN C#C[C@H](C)N(C)C[C@H](O)CC1(O)CCCCC1 ZINC000878517358 590585278 /nfs/dbraw/zinc/58/52/78/590585278.db2.gz QPMXRJXFJYRGAQ-QWHCGFSZSA-N 0 3 239.359 1.386 20 30 BDEDHN C=CC[C@H](C)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000878545163 590589664 /nfs/dbraw/zinc/58/96/64/590589664.db2.gz PSVVRBHLIXMADE-XQQFMLRXSA-N 0 3 225.332 1.831 20 30 BDEDHN C=CC[C@H](C)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000878545162 590589986 /nfs/dbraw/zinc/58/99/86/590589986.db2.gz PSVVRBHLIXMADE-RWMBFGLXSA-N 0 3 225.332 1.831 20 30 BDEDHN C=CC[C@H](C)N1CCN(c2nccnc2C)CC1 ZINC000878554336 590591473 /nfs/dbraw/zinc/59/14/73/590591473.db2.gz ZKVXOTDOVMMDQS-LBPRGKRZSA-N 0 3 246.358 1.872 20 30 BDEDHN C[C@@H](N(C)Cc1ccc(C#N)o1)C(C)(C)O ZINC000878667979 590606790 /nfs/dbraw/zinc/60/67/90/590606790.db2.gz HCZWSUCLUBIEEM-SECBINFHSA-N 0 3 222.288 1.742 20 30 BDEDHN C=CC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC000878678753 590608505 /nfs/dbraw/zinc/60/85/05/590608505.db2.gz ZWSOWVNVOFLMFB-NSHDSACASA-N 0 3 236.315 1.730 20 30 BDEDHN C#CCCCCCN1CCN(CCO)C[C@@H]1C ZINC000878695578 590611441 /nfs/dbraw/zinc/61/14/41/590611441.db2.gz WKKQEFSPDHFWGK-AWEZNQCLSA-N 0 3 238.375 1.178 20 30 BDEDHN C#CC1CCN(CCN(C#N)CC)CC1 ZINC000878763518 590619760 /nfs/dbraw/zinc/61/97/60/590619760.db2.gz FLYOITNSSMGNBX-UHFFFAOYSA-N 0 3 205.305 1.135 20 30 BDEDHN C#CCN(CCCCCCO)C1CSC1 ZINC000878912975 590648888 /nfs/dbraw/zinc/64/88/88/590648888.db2.gz WPCDDVHFZSBTFI-UHFFFAOYSA-N 0 3 227.373 1.590 20 30 BDEDHN C=CC[C@H](C)N1CCc2cnc(N)nc2C1 ZINC000878938804 590656608 /nfs/dbraw/zinc/65/66/08/590656608.db2.gz XYBNELYBSDUFDW-VIFPVBQESA-N 0 3 218.304 1.382 20 30 BDEDHN C=CCN(CCc1nnnn1C)C(C)(C)C ZINC000878950409 590658637 /nfs/dbraw/zinc/65/86/37/590658637.db2.gz SGYSZDAGJDPANT-UHFFFAOYSA-N 0 3 223.324 1.039 20 30 BDEDHN C#CCCCCCN1CCO[C@@](C)(COC)C1 ZINC000879065847 590690893 /nfs/dbraw/zinc/69/08/93/590690893.db2.gz IUZFEKPUSUWZKD-CQSZACIVSA-N 0 3 239.359 1.917 20 30 BDEDHN C#CCCN1CCc2nc(COC)ncc2C1 ZINC000879107786 590698100 /nfs/dbraw/zinc/69/81/00/590698100.db2.gz CPTSWDZBYJUBHX-UHFFFAOYSA-N 0 3 231.299 1.004 20 30 BDEDHN COC(=O)CCN(C)CCc1cccc(C#N)c1 ZINC000879434495 590768676 /nfs/dbraw/zinc/76/86/76/590768676.db2.gz KDWMXKIJEIYNFE-UHFFFAOYSA-N 0 3 246.310 1.596 20 30 BDEDHN CCC#C[C@H](C)N(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879488621 590781042 /nfs/dbraw/zinc/78/10/42/590781042.db2.gz PQCOEIRYTMOVFF-FZMZJTMJSA-N 0 3 248.370 1.764 20 30 BDEDHN COc1ccc([C@@H]2CN(CCC#N)CCN2)cc1 ZINC000879519482 590788347 /nfs/dbraw/zinc/78/83/47/590788347.db2.gz VAVARRSEJZFMNM-AWEZNQCLSA-N 0 3 245.326 1.555 20 30 BDEDHN C=CCNC(=O)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528756 590789312 /nfs/dbraw/zinc/78/93/12/590789312.db2.gz LYFKFTKMKLKHAN-TXEJJXNPSA-N 0 3 220.316 1.187 20 30 BDEDHN CCC#C[C@H](C)N1C[C@@H](O)CC(C)(C)C1 ZINC000879621337 590834790 /nfs/dbraw/zinc/83/47/90/590834790.db2.gz BXJCOUKPKCZNHC-RYUDHWBXSA-N 0 3 209.333 1.881 20 30 BDEDHN C=C(C)[C@@H](CO)N1C[C@H](O)CC(C)(C)C1 ZINC000879622182 590836858 /nfs/dbraw/zinc/83/68/58/590836858.db2.gz IVHLXYOYUYHUTG-GHMZBOCLSA-N 0 3 213.321 1.016 20 30 BDEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649036 590841902 /nfs/dbraw/zinc/84/19/02/590841902.db2.gz JUYQXJBEUNMQPX-GHMZBOCLSA-N 0 3 248.326 1.734 20 30 BDEDHN C[C@H]([NH2+]CCOCCC#N)c1ccccc1[O-] ZINC000879650143 590841989 /nfs/dbraw/zinc/84/19/89/590841989.db2.gz LLZFHYCCOANOOE-NSHDSACASA-N 0 3 234.299 1.973 20 30 BDEDHN C[C@H]([NH2+]CC(=O)NCCC#N)c1ccccc1[O-] ZINC000879651733 590843623 /nfs/dbraw/zinc/84/36/23/590843623.db2.gz IUFNJFYHRUGLPL-JTQLQIEISA-N 0 3 247.298 1.073 20 30 BDEDHN C[C@@H](NCCOCCC#N)c1ccnn1C ZINC000879687970 590849398 /nfs/dbraw/zinc/84/93/98/590849398.db2.gz ZKVHVTRXIKXWCE-SNVBAGLBSA-N 0 3 222.292 1.001 20 30 BDEDHN CO[C@@H]1COCC[C@@H]1N(C)CCCC#N ZINC000880425467 591031468 /nfs/dbraw/zinc/03/14/68/591031468.db2.gz OITHXPAQQGXKCZ-WDEREUQCSA-N 0 3 212.293 1.026 20 30 BDEDHN C#CCC1(O)CCN(CC2(CC#N)CC2)CC1 ZINC000880482221 591055143 /nfs/dbraw/zinc/05/51/43/591055143.db2.gz BDYHFENZYLPGHA-UHFFFAOYSA-N 0 3 232.327 1.530 20 30 BDEDHN C=C(Br)Cn1cc([C@@H](N)CC)nn1 ZINC000881428732 591199707 /nfs/dbraw/zinc/19/97/07/591199707.db2.gz ZDKHUQOHFQKSQC-ZETCQYMHSA-N 0 3 245.124 1.597 20 30 BDEDHN CC(C#N)C(=O)NCC1(CC2CC2)CC1 ZINC000881517660 591226366 /nfs/dbraw/zinc/22/63/66/591226366.db2.gz GRRUDNQXKCEGAP-SECBINFHSA-N 0 3 206.289 1.843 20 30 BDEDHN CCN1CC[C@@H]1CNc1nc(C#N)ccc1C ZINC000882960902 591487145 /nfs/dbraw/zinc/48/71/45/591487145.db2.gz 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LTFZFVBACBMZDL-GFCCVEGCSA-N 0 3 223.316 1.328 20 30 BDEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc2c(c1)CCO2 ZINC000933488858 640721242 /nfs/dbraw/zinc/72/12/42/640721242.db2.gz NPBGCIYOCPVZNM-ZWNOBZJWSA-N 0 3 246.310 1.547 20 30 BDEDHN C=CCCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933661030 640739283 /nfs/dbraw/zinc/73/92/83/640739283.db2.gz AJMZWOHQXDUBHJ-OLZOCXBDSA-N 0 3 225.332 1.690 20 30 BDEDHN C=CCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933672587 640742163 /nfs/dbraw/zinc/74/21/63/640742163.db2.gz BPIMKYYEPOQASN-CHWSQXEVSA-N 0 3 225.332 1.832 20 30 BDEDHN C=C[C@@H](CC)CC(=O)N(C)CCN(C)C ZINC000934008311 640806588 /nfs/dbraw/zinc/80/65/88/640806588.db2.gz RGGTZXNEEWMDFL-NSHDSACASA-N 0 3 212.337 1.609 20 30 BDEDHN C=C[C@H](CC)CC(=O)N1CCNC(C)(C)C1 ZINC000934057111 640811227 /nfs/dbraw/zinc/81/12/27/640811227.db2.gz VVYICTNKLBYEPW-LLVKDONJSA-N 0 3 224.348 1.799 20 30 BDEDHN CC(C)(O)C(C)(C)NCc1ccc(C#N)o1 ZINC000229040558 640917252 /nfs/dbraw/zinc/91/72/52/640917252.db2.gz XEZLHDGJQQZKKI-UHFFFAOYSA-N 0 3 222.288 1.790 20 30 BDEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cncs1 ZINC000934193587 641097367 /nfs/dbraw/zinc/09/73/67/641097367.db2.gz KEDDCLZGOGKHNX-IUCAKERBSA-N 0 3 225.317 1.722 20 30 BDEDHN C#C[C@@H]1CCCCN1CCCN1CCOC1=O ZINC000934511239 641178528 /nfs/dbraw/zinc/17/85/28/641178528.db2.gz KRLQVHHUHNQPFY-GFCCVEGCSA-N 0 3 236.315 1.316 20 30 BDEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000971168818 641205703 /nfs/dbraw/zinc/20/57/03/641205703.db2.gz IMPANQKVTNTUCM-LLVKDONJSA-N 0 3 249.314 1.315 20 30 BDEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173936433 641221704 /nfs/dbraw/zinc/22/17/04/641221704.db2.gz XJMZFZVXMMUKPK-QWRGUYRKSA-N 0 3 236.315 1.754 20 30 BDEDHN C=CCCCN(CC)C[C@@H](C)CS(C)(=O)=O ZINC000934645110 641228365 /nfs/dbraw/zinc/22/83/65/641228365.db2.gz CFBSSLZQNWRSKF-GFCCVEGCSA-N 0 3 247.404 1.955 20 30 BDEDHN C[C@@H](CN(C)C[C@H](O)CC#N)c1ccccc1 ZINC000929491734 641333891 /nfs/dbraw/zinc/33/38/91/641333891.db2.gz YDYOPXIHERBINC-GXTWGEPZSA-N 0 3 232.327 1.996 20 30 BDEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@H]12 ZINC000992115112 641347762 /nfs/dbraw/zinc/34/77/62/641347762.db2.gz YKKFCPXSCZKFBY-GUIRCDHDSA-N 0 3 248.370 1.942 20 30 BDEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12 ZINC000992115108 641348052 /nfs/dbraw/zinc/34/80/52/641348052.db2.gz YKKFCPXSCZKFBY-BHPKHCPMSA-N 0 3 248.370 1.942 20 30 BDEDHN C=CCOCCNC(=O)[C@H]1CCCN1C(C)C ZINC000935301405 641383079 /nfs/dbraw/zinc/38/30/79/641383079.db2.gz JQBZFMRFLMFEGN-GFCCVEGCSA-N 0 3 240.347 1.178 20 30 BDEDHN C#CCN1CC[C@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162970 641520469 /nfs/dbraw/zinc/52/04/69/641520469.db2.gz ONHCMWYUQHNDSV-JSGCOSHPSA-N 0 3 248.370 1.779 20 30 BDEDHN C#CCN1CC[C@@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947162969 641520540 /nfs/dbraw/zinc/52/05/40/641520540.db2.gz ONHCMWYUQHNDSV-GXTWGEPZSA-N 0 3 248.370 1.779 20 30 BDEDHN C#CCCCCNC(=O)[C@@H]1CCCCN1CC ZINC000156451195 641606945 /nfs/dbraw/zinc/60/69/45/641606945.db2.gz SFCMJIUIKZMTHN-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC)[C@H]1C ZINC000992908349 641676952 /nfs/dbraw/zinc/67/69/52/641676952.db2.gz CTDZJYGOGDBEKS-VXGBXAGGSA-N 0 3 224.348 1.942 20 30 BDEDHN CC(=O)OC1CCN(CCCC#N)CC1 ZINC000153357201 641764346 /nfs/dbraw/zinc/76/43/46/641764346.db2.gz SWLVQBSCBSGLNH-UHFFFAOYSA-N 0 3 210.277 1.318 20 30 BDEDHN C#CCN1CCC[C@@H](N(C)C(=O)CC2CC2)CC1 ZINC000948135179 641776261 /nfs/dbraw/zinc/77/62/61/641776261.db2.gz BNIGTHZAQNSLST-CQSZACIVSA-N 0 3 248.370 1.733 20 30 BDEDHN C=CCNC(=S)NCCN1CCCCC1 ZINC000916001683 641895665 /nfs/dbraw/zinc/89/56/65/641895665.db2.gz BDOCFYQLLBWMFV-UHFFFAOYSA-N 0 3 227.377 1.122 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916921176 641985958 /nfs/dbraw/zinc/98/59/58/641985958.db2.gz LOFPWENEWGYCEP-QMMMGPOBSA-N 0 3 244.241 1.433 20 30 BDEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001015768746 642071686 /nfs/dbraw/zinc/07/16/86/642071686.db2.gz GSNUCSWGEUSDIE-CHWSQXEVSA-N 0 3 248.370 1.943 20 30 BDEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001015768748 642072445 /nfs/dbraw/zinc/07/24/45/642072445.db2.gz GSNUCSWGEUSDIE-QWHCGFSZSA-N 0 3 248.370 1.943 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000971168822 642310927 /nfs/dbraw/zinc/31/09/27/642310927.db2.gz IMPANQKVTNTUCM-NSHDSACASA-N 0 3 249.314 1.315 20 30 BDEDHN C=CCCN1CC(CNC(=O)c2ncoc2C)C1 ZINC001031570907 642320244 /nfs/dbraw/zinc/32/02/44/642320244.db2.gz YYALBKYUCURLKH-UHFFFAOYSA-N 0 3 249.314 1.221 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000971318287 642354316 /nfs/dbraw/zinc/35/43/16/642354316.db2.gz FDAOOYNYEBJKNB-BPCQOVAHSA-N 0 3 236.359 1.751 20 30 BDEDHN CCN(CCCCC#N)C(C)(C)C(=O)OC ZINC000933190016 642379472 /nfs/dbraw/zinc/37/94/72/642379472.db2.gz GGSAVMZZLQNCDP-UHFFFAOYSA-N 0 3 226.320 1.954 20 30 BDEDHN C#CC1(F)CN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000919908407 642405551 /nfs/dbraw/zinc/40/55/51/642405551.db2.gz GSBVOGWROKLWFH-GHMZBOCLSA-N 0 3 238.306 1.043 20 30 BDEDHN C#CC1(F)CN(C(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000919908412 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KVBHBTPZUUDBEW-IJLUTSLNSA-N 0 3 237.347 1.512 20 30 BDEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)o1 ZINC000602600007 349646194 /nfs/dbraw/zinc/64/61/94/349646194.db2.gz FHGYYZAVJGEZHT-LBPRGKRZSA-N 0 3 249.314 1.616 20 30 BDEDHN C[C@@H](NC[C@@H](C)CCC#N)c1ncnn1C ZINC000602648223 349658812 /nfs/dbraw/zinc/65/88/12/349658812.db2.gz VLWKORORSZFCGB-VHSXEESVSA-N 0 3 221.308 1.406 20 30 BDEDHN C[C@@H](CCC#N)N1CCN(CC2CC2)CC1 ZINC000351652429 136249155 /nfs/dbraw/zinc/24/91/55/136249155.db2.gz ZUJPHBGPCZHZEX-LBPRGKRZSA-N 0 3 221.348 1.706 20 30 BDEDHN C[C@@H](CCC#N)C[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000602675625 349669212 /nfs/dbraw/zinc/66/92/12/349669212.db2.gz VBXSEFFIRMEKHV-VIFPVBQESA-N 0 3 233.319 1.712 20 30 BDEDHN C[C@@H](CCC#N)CNCc1nnc(C2CC2)[nH]1 ZINC000602675625 349669213 /nfs/dbraw/zinc/66/92/13/349669213.db2.gz VBXSEFFIRMEKHV-VIFPVBQESA-N 0 3 233.319 1.712 20 30 BDEDHN CCn1ncnc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000602678520 349670705 /nfs/dbraw/zinc/67/07/05/349670705.db2.gz DZIFRCZCWWYATN-QWRGUYRKSA-N 0 3 233.319 1.470 20 30 BDEDHN C[C@@H](CCC#N)CN1CC[C@](F)(CO)C1 ZINC000602656332 349661908 /nfs/dbraw/zinc/66/19/08/349661908.db2.gz XIPNXCUHHZKDKX-WDEREUQCSA-N 0 3 214.284 1.333 20 30 BDEDHN Cn1ncnc1CNCC1CCC(C#N)CC1 ZINC000602658751 349663549 /nfs/dbraw/zinc/66/35/49/349663549.db2.gz XQMIPJQMYXVJSW-UHFFFAOYSA-N 0 3 233.319 1.235 20 30 BDEDHN CC(C)C[C@H](C#N)NC(=O)C1CCN(C)CC1 ZINC000260212918 349666793 /nfs/dbraw/zinc/66/67/93/349666793.db2.gz VXMCNSGPVMIHNF-GFCCVEGCSA-N 0 3 237.347 1.383 20 30 BDEDHN COCC[C@@H]1COCCN1C[C@@H](C)CCC#N ZINC000602678705 349672032 /nfs/dbraw/zinc/67/20/32/349672032.db2.gz XOZDXKGGLFBXPH-QWHCGFSZSA-N 0 3 240.347 1.664 20 30 BDEDHN C[C@@H](CCC#N)CN1CC[C@@](O)(CC#N)C1 ZINC000602697914 349694635 /nfs/dbraw/zinc/69/46/35/349694635.db2.gz QSCITMXEHIEVPH-RYUDHWBXSA-N 0 3 221.304 1.277 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351813213 136254563 /nfs/dbraw/zinc/25/45/63/136254563.db2.gz 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C[C@@H]1CN(C[C@@H]2CCCO2)C[C@H](C)N1CC#N ZINC000602857278 349788919 /nfs/dbraw/zinc/78/89/19/349788919.db2.gz QFXMFJPJGCLFFK-XQQFMLRXSA-N 0 3 237.347 1.084 20 30 BDEDHN CCC[C@H](O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851190 349785854 /nfs/dbraw/zinc/78/58/54/349785854.db2.gz UOYROFDLKOMNPO-XQQFMLRXSA-N 0 3 239.363 1.066 20 30 BDEDHN C[C@@H](C#N)CN(C)CCCc1cncn1C ZINC000314383382 259345497 /nfs/dbraw/zinc/34/54/97/259345497.db2.gz QZVCHIIAEBSBET-NSHDSACASA-N 0 3 220.320 1.444 20 30 BDEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N(C)C ZINC000309861252 343066918 /nfs/dbraw/zinc/06/69/18/343066918.db2.gz MRKKJLSXQDFFTR-OUAUKWLOSA-N 0 3 223.320 1.135 20 30 BDEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CC1 ZINC000357834021 136266707 /nfs/dbraw/zinc/26/67/07/136266707.db2.gz QGDWEBKSLYMAAK-NSHDSACASA-N 0 3 228.295 1.994 20 30 BDEDHN C=CCNC(=O)CN1CCC[C@@H]1C1CC1 ZINC000363385141 136273250 /nfs/dbraw/zinc/27/32/50/136273250.db2.gz UVWPAQQQSDQEEC-LLVKDONJSA-N 0 3 208.305 1.163 20 30 BDEDHN CC#CCN(C)CCC(=O)NC1CCCC1 ZINC000339766501 136280893 /nfs/dbraw/zinc/28/08/93/136280893.db2.gz PQCVPTNEEWKFEF-UHFFFAOYSA-N 0 3 222.332 1.390 20 30 BDEDHN N#CCCCN[C@@H](CO)c1ccc(F)cc1 ZINC000273086705 136283409 /nfs/dbraw/zinc/28/34/09/136283409.db2.gz IRDAGQSZASWZLP-LBPRGKRZSA-N 0 3 222.263 1.752 20 30 BDEDHN C[C@H]1[C@H](Nc2nccnc2C#N)CCCN1C ZINC000343422264 343244902 /nfs/dbraw/zinc/24/49/02/343244902.db2.gz AUTMAONGGSUPRH-VHSXEESVSA-N 0 3 231.303 1.243 20 30 BDEDHN C[C@@H]1[C@@H](Nc2cccc(C#N)n2)CCCN1C ZINC000343424089 343244996 /nfs/dbraw/zinc/24/49/96/343244996.db2.gz CLDIFOICTCKQKD-PWSUYJOCSA-N 0 3 230.315 1.848 20 30 BDEDHN C=CCOCCN(C)CCOCC1CC1 ZINC000339016061 136279736 /nfs/dbraw/zinc/27/97/36/136279736.db2.gz YJJDEDLCPGRATK-UHFFFAOYSA-N 0 3 213.321 1.547 20 30 BDEDHN Cc1ccnc(N2CCN(C)CC[C@@H]2C)c1C#N ZINC000343499916 343250930 /nfs/dbraw/zinc/25/09/30/343250930.db2.gz AHEHGDZRGCIUJY-LBPRGKRZSA-N 0 3 244.342 1.792 20 30 BDEDHN Cc1cc(CNCc2ccc(C#N)cc2)n[nH]1 ZINC000608982541 343251937 /nfs/dbraw/zinc/25/19/37/343251937.db2.gz XVCQRQTXFLZZSW-UHFFFAOYSA-N 0 3 226.283 1.880 20 30 BDEDHN C[C@@H](C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000340436070 136289692 /nfs/dbraw/zinc/28/96/92/136289692.db2.gz AUMKWTASZOKKDW-JTQLQIEISA-N 0 3 231.299 1.390 20 30 BDEDHN CCN1CCC[C@H](Nc2ncccc2C#N)C1 ZINC000048505771 343317953 /nfs/dbraw/zinc/31/79/53/343317953.db2.gz ZLVWOGRLUHVFMR-LBPRGKRZSA-N 0 3 230.315 1.849 20 30 BDEDHN CCN1[C@H](C)CN(CC2(C#N)CC2)C[C@@H]1C ZINC000602874542 349805318 /nfs/dbraw/zinc/80/53/18/349805318.db2.gz PQDWSMGMCURCLK-TXEJJXNPSA-N 0 3 221.348 1.705 20 30 BDEDHN CC[C@H](CCO)CNC[C@@H](C#N)CCC#N ZINC000569845318 323042692 /nfs/dbraw/zinc/04/26/92/323042692.db2.gz HADFUMQAWLXQNJ-VXGBXAGGSA-N 0 3 223.320 1.428 20 30 BDEDHN C[C@@H]1C[C@H](NCc2cc(C#N)n(C)c2)CO1 ZINC000335664928 136316313 /nfs/dbraw/zinc/31/63/13/136316313.db2.gz YVUSIKDQKMOFSB-KOLCDFICSA-N 0 3 219.288 1.164 20 30 BDEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnnn1CC1CC1 ZINC000349359001 136343236 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OWUYVCNMLDFXFJ-LLVKDONJSA-N 0 3 212.293 1.027 20 30 BDEDHN CN(C)CCNc1nccc(C#N)c1Cl ZINC000234252623 343891683 /nfs/dbraw/zinc/89/16/83/343891683.db2.gz HDDPZWVFHUGQTI-UHFFFAOYSA-N 0 3 224.695 1.580 20 30 BDEDHN C[C@@H]1C[C@@H](O)CN(Cc2cc(C#N)n(C)c2)C1 ZINC000334734989 343903383 /nfs/dbraw/zinc/90/33/83/343903383.db2.gz JXIYZUUUADXQTA-ZWNOBZJWSA-N 0 3 233.315 1.099 20 30 BDEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2O)n1 ZINC000602621791 343938052 /nfs/dbraw/zinc/93/80/52/343938052.db2.gz RTXDGUVLHMLAGT-CHWSQXEVSA-N 0 3 231.299 1.346 20 30 BDEDHN C[C@@]1(CNCc2cccc(C#N)n2)CCOC1 ZINC000602552458 343912891 /nfs/dbraw/zinc/91/28/91/343912891.db2.gz RRHCIIUBYSQZHI-ZDUSSCGKSA-N 0 3 231.299 1.469 20 30 BDEDHN C#CCCCCN[C@@H](C)c1cnccn1 ZINC000090398798 343931076 /nfs/dbraw/zinc/93/10/76/343931076.db2.gz HDTUFDDXPGVNRI-NSHDSACASA-N 0 3 203.289 1.931 20 30 BDEDHN C=CCC[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000641212698 362275484 /nfs/dbraw/zinc/27/54/84/362275484.db2.gz PBGYZMPCBPVVPE-PWSUYJOCSA-N 0 3 238.335 1.261 20 30 BDEDHN C=CC[C@H]1CCN(Cc2ccnn2C)C1 ZINC000625703853 344048186 /nfs/dbraw/zinc/04/81/86/344048186.db2.gz UJRSIYRIFQHDAB-NSHDSACASA-N 0 3 205.305 1.818 20 30 BDEDHN C=CC[C@H]1CCN(CC(=O)NCCCOC)C1 ZINC000625705097 344049570 /nfs/dbraw/zinc/04/95/70/344049570.db2.gz XERPZXUDEMZYCL-LBPRGKRZSA-N 0 3 240.347 1.037 20 30 BDEDHN CC[C@H](N)C(=O)Nc1cccc(C#N)c1 ZINC000084199776 344104558 /nfs/dbraw/zinc/10/45/58/344104558.db2.gz PIWRROJNCVROHU-JTQLQIEISA-N 0 3 203.245 1.234 20 30 BDEDHN CN(C)CCc1cn(CC2(C#N)CCC2)nn1 ZINC000603257794 349901559 /nfs/dbraw/zinc/90/15/59/349901559.db2.gz XZCYDSPJLDQKOB-UHFFFAOYSA-N 0 3 233.319 1.076 20 30 BDEDHN C=CC(C)(C)CCNC(=O)[C@@H](N)C(C)C ZINC000625814545 344081952 /nfs/dbraw/zinc/08/19/52/344081952.db2.gz XFEUEHBJIPLGBI-JTQLQIEISA-N 0 3 212.337 1.688 20 30 BDEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccn2)CCN1C ZINC000157952366 344132482 /nfs/dbraw/zinc/13/24/82/344132482.db2.gz FJNNUIVTWNKREK-CMPLNLGQSA-N 0 3 230.315 1.848 20 30 BDEDHN 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386214302 /nfs/dbraw/zinc/21/43/02/386214302.db2.gz RTUPDMAIFLWJOF-NSHDSACASA-N 0 3 246.310 1.904 20 30 BDEDHN C[C@H](CC#N)N(C)C(=O)CC1CCN(C)CC1 ZINC000347027523 386221520 /nfs/dbraw/zinc/22/15/20/386221520.db2.gz IFBUJTNPZRBMSM-LLVKDONJSA-N 0 3 237.347 1.479 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)CN(C)CCC ZINC000424930848 386222324 /nfs/dbraw/zinc/22/23/24/386222324.db2.gz HMNOEUSTICBFKT-RYUDHWBXSA-N 0 3 240.347 1.036 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000347119342 386233603 /nfs/dbraw/zinc/23/36/03/386233603.db2.gz WTKQSEGVGPPRPQ-UWVGGRQHSA-N 0 3 245.282 1.289 20 30 BDEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC000347116819 386234312 /nfs/dbraw/zinc/23/43/12/386234312.db2.gz SNCXSFAQLNTSAU-WDEREUQCSA-N 0 3 223.320 1.137 20 30 BDEDHN CC(C)OC[C@@H](CO)N(C)CCC(C)(C)C#N ZINC000347121428 386234632 /nfs/dbraw/zinc/23/46/32/386234632.db2.gz FTDRTUAYMJRECA-GFCCVEGCSA-N 0 3 242.363 1.644 20 30 BDEDHN COC[C@@H](NCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000347091626 386245583 /nfs/dbraw/zinc/24/55/83/386245583.db2.gz QNAYWGUBAHNVPO-NEPJUHHUSA-N 0 3 240.347 1.710 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000347101190 386250085 /nfs/dbraw/zinc/25/00/85/386250085.db2.gz GUIFFRJQFBAQQO-BBBLOLIVSA-N 0 3 210.277 1.220 20 30 BDEDHN CCCCOC1CCN(C(=O)C(C)C#N)CC1 ZINC000347224373 386289755 /nfs/dbraw/zinc/28/97/55/386289755.db2.gz GNWHYTLECZKRKB-LLVKDONJSA-N 0 3 238.331 1.954 20 30 BDEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000292837305 533163964 /nfs/dbraw/zinc/16/39/64/533163964.db2.gz PGFYMLKLLWTONI-ZDUSSCGKSA-N 0 3 245.326 1.291 20 30 BDEDHN CN(CCC(C)(C)C#N)CC1(O)CCC1 ZINC000347244706 386278871 /nfs/dbraw/zinc/27/88/71/386278871.db2.gz HKSJJAUYAWLWHY-UHFFFAOYSA-N 0 3 210.321 1.773 20 30 BDEDHN Cc1cc(CN2C[C@@H](O)C[C@@H]2C)ccc1C#N ZINC000334491950 386352731 /nfs/dbraw/zinc/35/27/31/386352731.db2.gz CZYUKEJRUSLAHQ-FZMZJTMJSA-N 0 3 230.311 1.822 20 30 BDEDHN CCO[C@@H](CCNC(=O)C(C)C#N)C(C)C ZINC000347380473 386374722 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ZINC000266927887 387406219 /nfs/dbraw/zinc/40/62/19/387406219.db2.gz XYCNXPTZNGUGGJ-SNVBAGLBSA-N 0 3 210.321 1.409 20 30 BDEDHN Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424075271 387478484 /nfs/dbraw/zinc/47/84/84/387478484.db2.gz JCOAAHNYGVLSQF-LBPRGKRZSA-N 0 3 231.299 1.955 20 30 BDEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424077071 387480900 /nfs/dbraw/zinc/48/09/00/387480900.db2.gz NHKVNQKSKAWMIW-WCQYABFASA-N 0 3 245.326 1.885 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCS1 ZINC000424123164 387588784 /nfs/dbraw/zinc/58/87/84/387588784.db2.gz KENPBFQAKACTKT-ZJUUUORDSA-N 0 3 241.360 1.019 20 30 BDEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)n1 ZINC000424128356 387603152 /nfs/dbraw/zinc/60/31/52/387603152.db2.gz FHJGRJOPLORQHP-NSHDSACASA-N 0 3 246.314 1.658 20 30 BDEDHN C[C@@H]1C[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424127560 387604223 /nfs/dbraw/zinc/60/42/23/387604223.db2.gz QDLOERPFUBAENT-GMTAPVOTSA-N 0 3 223.320 1.264 20 30 BDEDHN C[C@@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424118605 387561010 /nfs/dbraw/zinc/56/10/10/387561010.db2.gz BXUCQBXSDNNUDQ-VXGBXAGGSA-N 0 3 237.347 1.799 20 30 BDEDHN C#Cc1ccc(CNC[C@@](C)(O)CSC)cc1 ZINC000279138792 387562271 /nfs/dbraw/zinc/56/22/71/387562271.db2.gz ZAYIFQYKHUJCCL-CQSZACIVSA-N 0 3 249.379 1.872 20 30 BDEDHN C[C@H]1CN(C(=O)[C@H](N)CCCC#N)C[C@H]1C ZINC000424119111 387567761 /nfs/dbraw/zinc/56/77/61/387567761.db2.gz FCNQGXLYJGHMSL-OUAUKWLOSA-N 0 3 223.320 1.122 20 30 BDEDHN CC[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424139626 387687923 /nfs/dbraw/zinc/68/79/23/387687923.db2.gz RMUIAVBFNJJSNQ-GHMZBOCLSA-N 0 3 223.320 1.266 20 30 BDEDHN Cn1cc(CN2CCC[C@H](O)CC2)cc1C#N ZINC000294044144 387746994 /nfs/dbraw/zinc/74/69/94/387746994.db2.gz PCFMGOREOOCBOD-ZDUSSCGKSA-N 0 3 233.315 1.244 20 30 BDEDHN C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424144975 387762102 /nfs/dbraw/zinc/76/21/02/387762102.db2.gz UELUUVBOPHYLMS-UWVGGRQHSA-N 0 3 209.293 1.018 20 30 BDEDHN CN(C[C@@H]1CCCN1C)c1ccc(C#N)nc1 ZINC000129254654 387766524 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/nfs/dbraw/zinc/88/27/39/583882739.db2.gz AKTKOOBVWUGURG-UHFFFAOYSA-N 0 3 242.326 1.628 20 30 BDEDHN CN1CCC2(CCN2c2nccnc2C#N)CC1 ZINC000897133923 583883170 /nfs/dbraw/zinc/88/31/70/583883170.db2.gz SGIZWBRNBXZMMF-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000862574072 583964971 /nfs/dbraw/zinc/96/49/71/583964971.db2.gz IAIKLQWXWDQWQP-STQMWFEESA-N 0 3 234.343 1.200 20 30 BDEDHN C#CC[C@@H](CCOC)[NH2+]Cc1nc(C)ccc1[O-] ZINC000858333533 588946267 /nfs/dbraw/zinc/94/62/67/588946267.db2.gz JDVSDLHCXRZVMA-LBPRGKRZSA-N 0 3 248.326 1.614 20 30 BDEDHN C=CCN(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897444465 583984663 /nfs/dbraw/zinc/98/46/63/583984663.db2.gz HHTREYIPGVVRNH-SNVBAGLBSA-N 0 3 210.321 1.504 20 30 BDEDHN C#CCNC(=O)CN([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729544527 584017868 /nfs/dbraw/zinc/01/78/68/584017868.db2.gz HMSNWGJQEXGQBY-NWDGAFQWSA-N 0 3 236.359 1.635 20 30 BDEDHN C=CCC[C@H](C)NCc1cn(C)nc1OC ZINC000898029151 584076513 /nfs/dbraw/zinc/07/65/13/584076513.db2.gz HNGYBSBKWHGNOS-JTQLQIEISA-N 0 3 223.320 1.873 20 30 BDEDHN N#Cc1cccc(CNCC[C@H](O)C2CC2)c1 ZINC000898206033 584091783 /nfs/dbraw/zinc/09/17/83/584091783.db2.gz KEZXVUWHHVENPP-AWEZNQCLSA-N 0 3 230.311 1.809 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000898398974 584131555 /nfs/dbraw/zinc/13/15/55/584131555.db2.gz UQLPKDXHQFOQFG-NXEZZACHSA-N 0 3 246.314 1.556 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000898398987 584131691 /nfs/dbraw/zinc/13/16/91/584131691.db2.gz UQLPKDXHQFOQFG-ZJUUUORDSA-N 0 3 246.314 1.556 20 30 BDEDHN C=CC(C)(C)NCc1ccc(C(=O)OC)n1C ZINC000898460251 584137457 /nfs/dbraw/zinc/13/74/57/584137457.db2.gz IHBWZURNQXKOST-UHFFFAOYSA-N 0 3 236.315 1.866 20 30 BDEDHN C=C1CN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000898701082 584150662 /nfs/dbraw/zinc/15/06/62/584150662.db2.gz JRGLADGNCOMQJV-LLVKDONJSA-N 0 3 206.289 1.012 20 30 BDEDHN C=C1CN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000898694928 584153730 /nfs/dbraw/zinc/15/37/30/584153730.db2.gz PFXILFAMXXCWIS-UHFFFAOYSA-N 0 3 230.311 1.760 20 30 BDEDHN C=C1CN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000898694296 584153858 /nfs/dbraw/zinc/15/38/58/584153858.db2.gz DGDQNVFZNXNAAC-LLVKDONJSA-N 0 3 208.305 1.259 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000899426988 584215358 /nfs/dbraw/zinc/21/53/58/584215358.db2.gz CWPJGYPQCVVFGS-UWVGGRQHSA-N 0 3 222.288 1.221 20 30 BDEDHN C#CCCOC(=O)NC1CCN(CCC)CC1 ZINC000858883261 588981774 /nfs/dbraw/zinc/98/17/74/588981774.db2.gz LVDNFHWQKKMLSF-UHFFFAOYSA-N 0 3 238.331 1.610 20 30 BDEDHN C#CC[C@@H](CCOC)Nc1ccnc(CO)c1 ZINC000858859018 588979847 /nfs/dbraw/zinc/97/98/47/588979847.db2.gz XZWGECNIYZYPQY-NSHDSACASA-N 0 3 234.299 1.414 20 30 BDEDHN CCNN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000901282189 584415158 /nfs/dbraw/zinc/41/51/58/584415158.db2.gz BHZZXBYRDOEZIN-UHFFFAOYSA-N 0 3 247.342 1.591 20 30 BDEDHN CCn1cnc(C=NNc2ccnc(C)c2)c1 ZINC000901268057 584418350 /nfs/dbraw/zinc/41/83/50/584418350.db2.gz SCBPJKRKRNPJKZ-UHFFFAOYSA-N 0 3 229.287 1.474 20 30 BDEDHN C#CCCOC(=O)NCCN(CC)C1CC1 ZINC000858934005 588986458 /nfs/dbraw/zinc/98/64/58/588986458.db2.gz XSAJQIVWRLMCKX-UHFFFAOYSA-N 0 3 224.304 1.220 20 30 BDEDHN CCOC[C@@H]1CCCN(CCO[C@H](C)C#N)C1 ZINC000801921595 584643137 /nfs/dbraw/zinc/64/31/37/584643137.db2.gz HGSXMFNVBFINLY-CHWSQXEVSA-N 0 3 240.347 1.664 20 30 BDEDHN CCOC[C@H]1CCCN(CCO[C@H](C)C#N)C1 ZINC000801921596 584643522 /nfs/dbraw/zinc/64/35/22/584643522.db2.gz HGSXMFNVBFINLY-OLZOCXBDSA-N 0 3 240.347 1.664 20 30 BDEDHN COC[C@H](C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902765715 584666921 /nfs/dbraw/zinc/66/69/21/584666921.db2.gz ADFVZUHDBLTMCH-MNOVXSKESA-N 0 3 233.315 1.886 20 30 BDEDHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1cc(C#N)ccn1 ZINC000902802357 584670924 /nfs/dbraw/zinc/67/09/24/584670924.db2.gz MIKHOLROGOLBJO-ZKYQVNSYSA-N 0 3 245.326 1.907 20 30 BDEDHN C[C@@H](N[C@@H]1CCN(C)C1)c1cc(C#N)ccn1 ZINC000902790486 584672535 /nfs/dbraw/zinc/67/25/35/584672535.db2.gz 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C=CCCCC(=O)NCCN1CCC[C@H]1C ZINC000748861098 585197281 /nfs/dbraw/zinc/19/72/81/585197281.db2.gz NSPFSVDPSKNDEU-GFCCVEGCSA-N 0 3 224.348 1.943 20 30 BDEDHN C#CCCOC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000859216146 589019999 /nfs/dbraw/zinc/01/99/99/589019999.db2.gz GFKAIGQGVWZWOX-LLVKDONJSA-N 0 3 238.331 1.609 20 30 BDEDHN CC(C)CN(CCC#N)C(=O)CN(C)C(C)C ZINC000751375121 585228366 /nfs/dbraw/zinc/22/83/66/585228366.db2.gz XYMZAXSJJZNJBG-UHFFFAOYSA-N 0 3 239.363 1.725 20 30 BDEDHN C#CCOCCN[C@H](C)c1cccc(OC)c1 ZINC000753766450 585268387 /nfs/dbraw/zinc/26/83/87/585268387.db2.gz FTOUIZYNHMTPKM-GFCCVEGCSA-N 0 3 233.311 1.996 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccoc1 ZINC000753937139 585272116 /nfs/dbraw/zinc/27/21/16/585272116.db2.gz WJIQFDPDCMAJTC-QWRGUYRKSA-N 0 3 232.287 1.474 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753928517 585272187 /nfs/dbraw/zinc/27/21/87/585272187.db2.gz KSHZODRXIOEVAW-BETUJISGSA-N 0 3 242.326 1.881 20 30 BDEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccco1 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ZINC000757850596 585346083 /nfs/dbraw/zinc/34/60/83/585346083.db2.gz VSQKRDSUQRLGMS-GFCCVEGCSA-N 0 3 237.347 1.528 20 30 BDEDHN CC(=NN1CCOCC1)c1ccc(N)cc1C ZINC000758091874 585348978 /nfs/dbraw/zinc/34/89/78/585348978.db2.gz DNTXPMVRNHXBTM-UHFFFAOYSA-N 0 3 233.315 1.633 20 30 BDEDHN C=C(CC)CN(CCCO)CC(OC)OC ZINC000759869098 585381778 /nfs/dbraw/zinc/38/17/78/585381778.db2.gz KOAXCZZWIDEUFK-UHFFFAOYSA-N 0 3 231.336 1.256 20 30 BDEDHN C#CCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000760323575 585389959 /nfs/dbraw/zinc/38/99/59/585389959.db2.gz RGAPDZJJZZHNKP-ZDUSSCGKSA-N 0 3 234.343 1.343 20 30 BDEDHN C[C@H](OCC1CC1)C(=O)C(C#N)c1ccncn1 ZINC000760342812 585390645 /nfs/dbraw/zinc/39/06/45/585390645.db2.gz YAXZJLLQWJAUIQ-GXSJLCMTSA-N 0 3 245.282 1.468 20 30 BDEDHN C#CCCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000760431036 585392461 /nfs/dbraw/zinc/39/24/61/585392461.db2.gz FLDYDOJIWATOKC-AAEUAGOBSA-N 0 3 234.343 1.389 20 30 BDEDHN N#Cc1ccc(F)c(CN[C@H](CCO)C2CC2)c1 ZINC000763062370 585442622 /nfs/dbraw/zinc/44/26/22/585442622.db2.gz DLZRTIJOYFCWRR-CQSZACIVSA-N 0 3 248.301 1.948 20 30 BDEDHN C#CCOCCN(C)CCc1ccccc1F ZINC000763738943 585453624 /nfs/dbraw/zinc/45/36/24/585453624.db2.gz NSJRHWNXUNWYDT-UHFFFAOYSA-N 0 3 235.302 1.950 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000763919926 585457031 /nfs/dbraw/zinc/45/70/31/585457031.db2.gz PUFMIHGCRGPZMM-JQWIXIFHSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCOc1ccccc1 ZINC000763928900 585457135 /nfs/dbraw/zinc/45/71/35/585457135.db2.gz FHBYUDBIBGTPAX-UHFFFAOYSA-N 0 3 248.326 1.299 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCOCCC(C)C ZINC000764443287 585465648 /nfs/dbraw/zinc/46/56/48/585465648.db2.gz SYBROMSCXDTWOS-UHFFFAOYSA-N 0 3 242.363 1.283 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)[C@@H](C)CC ZINC000764539649 585467562 /nfs/dbraw/zinc/46/75/62/585467562.db2.gz QOLXUBUTIXTPPS-GXSJLCMTSA-N 0 3 212.337 1.655 20 30 BDEDHN C#CCCCN1CCS[C@H]2COCC[C@@H]21 ZINC000766906448 585511084 /nfs/dbraw/zinc/51/10/84/585511084.db2.gz QKKBSBZSBFOGPA-RYUDHWBXSA-N 0 3 225.357 1.606 20 30 BDEDHN C#CCCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000766905908 585511300 /nfs/dbraw/zinc/51/13/00/585511300.db2.gz MXFWBJACKNKIGO-AWEZNQCLSA-N 0 3 236.359 1.054 20 30 BDEDHN CC#CCCCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000767049858 585512972 /nfs/dbraw/zinc/51/29/72/585512972.db2.gz AVOLCNHGNBSTHT-ZDUSSCGKSA-N 0 3 238.375 1.882 20 30 BDEDHN N#Cc1c[nH]c(C(=O)OCCN2CCCCC2)c1 ZINC000770397734 585573898 /nfs/dbraw/zinc/57/38/98/585573898.db2.gz KQQQRXIKKQNLBF-UHFFFAOYSA-N 0 3 247.298 1.529 20 30 BDEDHN CON=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771551079 585595883 /nfs/dbraw/zinc/59/58/83/585595883.db2.gz PVZNOMFRIACUBZ-UHFFFAOYSA-N 0 3 233.315 1.419 20 30 BDEDHN CCC(=NNC(=N)N)c1cc(C)ccc1OC ZINC000771550426 585595967 /nfs/dbraw/zinc/59/59/67/585595967.db2.gz JDKDTFCQXASDBQ-UHFFFAOYSA-N 0 3 234.303 1.601 20 30 BDEDHN CC[C@H]1CC[C@H](C)N1CC(=O)NCCC#N ZINC000772341108 585613097 /nfs/dbraw/zinc/61/30/97/585613097.db2.gz CDNZZWFURNSGAC-QWRGUYRKSA-N 0 3 223.320 1.279 20 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C#CCNC(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000774844283 585667141 /nfs/dbraw/zinc/66/71/41/585667141.db2.gz YJWCNSJDJJXSQJ-LBPRGKRZSA-N 0 3 230.311 1.395 20 30 BDEDHN N=C(N)NN=C1CCCc2ccc(F)cc21 ZINC000776185297 585691153 /nfs/dbraw/zinc/69/11/53/585691153.db2.gz GQQVUYNVOSPZKM-UHFFFAOYSA-N 0 3 220.251 1.349 20 30 BDEDHN C#CCCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000776605009 585702738 /nfs/dbraw/zinc/70/27/38/585702738.db2.gz ZRSQFUHHNIBPDF-UHFFFAOYSA-N 0 3 248.370 1.733 20 30 BDEDHN CCCN1CCC[C@@H]1C(=O)NC1=NO[C@@H](C)C1 ZINC000777435800 585711487 /nfs/dbraw/zinc/71/14/87/585711487.db2.gz LKKDEMRIVUTHMA-VHSXEESVSA-N 0 3 239.319 1.099 20 30 BDEDHN COC[C@H](C)NN=C(C)c1ccc(N)cc1C ZINC000777893171 585722521 /nfs/dbraw/zinc/72/25/21/585722521.db2.gz MIXXHJLZAZMFQR-JTQLQIEISA-N 0 3 235.331 1.926 20 30 BDEDHN COC[C@@H](C)NN=C(C)c1ccc(N)cc1C ZINC000777893172 585722595 /nfs/dbraw/zinc/72/25/95/585722595.db2.gz MIXXHJLZAZMFQR-SNVBAGLBSA-N 0 3 235.331 1.926 20 30 BDEDHN C#C[C@H](NC1CC(OC(C)C)C1)[C@H]1CCCO1 ZINC000779171764 585746697 /nfs/dbraw/zinc/74/66/97/585746697.db2.gz MTCCWINEQUTUAG-CLRIEMFWSA-N 0 3 237.343 1.713 20 30 BDEDHN C[C@@H]1CN=C(NN=Cc2ccsc2)N1 ZINC000779792874 585764215 /nfs/dbraw/zinc/76/42/15/585764215.db2.gz PUYHNHSMQUOIKQ-SSDOTTSWSA-N 0 3 208.290 1.019 20 30 BDEDHN COc1cccc(N=NC2CCN3CCC[C@H]23)n1 ZINC000779816600 585766940 /nfs/dbraw/zinc/76/69/40/585766940.db2.gz HMRBJWZNQOENAA-LLVKDONJSA-N 0 3 246.314 1.726 20 30 BDEDHN C#CCCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000782004299 585806214 /nfs/dbraw/zinc/80/62/14/585806214.db2.gz KGZTUUFSMCISDY-ZDUSSCGKSA-N 0 3 238.375 1.177 20 30 BDEDHN CCN(CC)CCOC(=O)c1cnccc1C#N ZINC000805715342 585806376 /nfs/dbraw/zinc/80/63/76/585806376.db2.gz PNBZHDQQVIMWIL-UHFFFAOYSA-N 0 3 247.298 1.452 20 30 BDEDHN CN(C)C1(C(=O)N2CCC(CC#N)CC2)CCC1 ZINC000782055051 585807590 /nfs/dbraw/zinc/80/75/90/585807590.db2.gz MZRMJAZXXZTBMZ-UHFFFAOYSA-N 0 3 249.358 1.623 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000782620120 585822908 /nfs/dbraw/zinc/82/29/08/585822908.db2.gz LFCCNQATTKQSDQ-BYCMXARLSA-N 0 3 242.322 1.933 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2CCCOCC2)nc1 ZINC000783294363 585833311 /nfs/dbraw/zinc/83/33/11/585833311.db2.gz ONUWBVOFMIOAOK-GFCCVEGCSA-N 0 3 231.299 1.612 20 30 BDEDHN CC[C@H](NCc1ccc(C#N)cn1)[C@H]1CCOC1 ZINC000783301578 585833435 /nfs/dbraw/zinc/83/34/35/585833435.db2.gz YTNWWANATHZCCX-JSGCOSHPSA-N 0 3 245.326 1.858 20 30 BDEDHN N=C(N)NN=C1CCOc2ccc(Cl)cc21 ZINC000783825222 585844176 /nfs/dbraw/zinc/84/41/76/585844176.db2.gz WPKBQLYYOVAGSS-UHFFFAOYSA-N 0 3 238.678 1.310 20 30 BDEDHN C#CCCCN1C[C@H](COC)O[C@@H](C)C1 ZINC000784371834 585857563 /nfs/dbraw/zinc/85/75/63/585857563.db2.gz BJCZUWBUMDNUSO-NWDGAFQWSA-N 0 3 211.305 1.136 20 30 BDEDHN CN(CC(=O)NCCC#N)C[C@@H]1CC=CCC1 ZINC000784391261 585858178 /nfs/dbraw/zinc/85/81/78/585858178.db2.gz JQIPDAISCWJKRL-GFCCVEGCSA-N 0 3 235.331 1.304 20 30 BDEDHN C=C[C@@H]1CCCCN1CC[C@H]1CCOC1=O ZINC000785998204 585885070 /nfs/dbraw/zinc/88/50/70/585885070.db2.gz ZDQDKBBNDSTMNZ-NWDGAFQWSA-N 0 3 223.316 1.980 20 30 BDEDHN C=C[C@H]1CCCCN1CCCN1CCOC1=O ZINC000785998499 585885194 /nfs/dbraw/zinc/88/51/94/585885194.db2.gz HBKRIIUEHDUSSZ-LBPRGKRZSA-N 0 3 238.331 1.869 20 30 BDEDHN CN(CC(=O)NCCC#N)C1(C)CCCC1 ZINC000786219763 585888727 /nfs/dbraw/zinc/88/87/27/585888727.db2.gz VAEOKUMIBAAEOZ-UHFFFAOYSA-N 0 3 223.320 1.281 20 30 BDEDHN C#CCOC(=O)CCN1CCc2ccccc2C1 ZINC000786820299 585897556 /nfs/dbraw/zinc/89/75/56/585897556.db2.gz DSUOFLZGOYEQQW-UHFFFAOYSA-N 0 3 243.306 1.611 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)CC(C)(C)C#N ZINC000787992623 585918502 /nfs/dbraw/zinc/91/85/02/585918502.db2.gz KYECUXWCFCPZJR-NSHDSACASA-N 0 3 239.363 1.629 20 30 BDEDHN C#CCOc1ccc(CN2C[C@H](O)C[C@H]2C)cc1 ZINC000788270831 585920337 /nfs/dbraw/zinc/92/03/37/585920337.db2.gz SNPXSKODBCVXJH-TZMCWYRMSA-N 0 3 245.322 1.654 20 30 BDEDHN CC(=NN[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788445601 585924049 /nfs/dbraw/zinc/92/40/49/585924049.db2.gz IDUOZTVOTNSCIO-CYBMUJFWSA-N 0 3 247.342 1.855 20 30 BDEDHN C=C(C)CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000790079522 585957444 /nfs/dbraw/zinc/95/74/44/585957444.db2.gz KEJSDNUEEKBOIW-LBPRGKRZSA-N 0 3 235.331 1.731 20 30 BDEDHN C[C@H]1CN(C2CC2)CC1N=Nc1nccn1C ZINC000790299320 585962701 /nfs/dbraw/zinc/96/27/01/585962701.db2.gz BMYHEBHFMNCLPV-VIFPVBQESA-N 0 3 233.319 1.302 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000793413412 586018674 /nfs/dbraw/zinc/01/86/74/586018674.db2.gz YRDWSQAWYCPPEA-GFCCVEGCSA-N 0 3 236.359 1.751 20 30 BDEDHN COC(=O)C[C@@H]1CCC(=Nn2cnnc2)[C@H]1C ZINC000794448542 586039958 /nfs/dbraw/zinc/03/99/58/586039958.db2.gz PFTLRRLURDMCLB-IUCAKERBSA-N 0 3 236.275 1.091 20 30 BDEDHN CCc1cccc(F)c1C=NNC(=N)N ZINC000794488044 586040634 /nfs/dbraw/zinc/04/06/34/586040634.db2.gz BJHWVASPWNOYAM-UHFFFAOYSA-N 0 3 208.240 1.205 20 30 BDEDHN COCCCNN=C1CCN(C)[C@@H](C)C1 ZINC000794539737 586042746 /nfs/dbraw/zinc/04/27/46/586042746.db2.gz NKBOTGZIQTUVDK-JTQLQIEISA-N 0 3 213.325 1.083 20 30 BDEDHN 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/nfs/dbraw/zinc/88/38/66/587883866.db2.gz GITHLUMSCDCJNR-UHFFFAOYSA-N 0 3 248.370 1.638 20 30 BDEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C#CC1CC1 ZINC000837629904 587886460 /nfs/dbraw/zinc/88/64/60/587886460.db2.gz LHAQQLGGDGNYDT-JSGCOSHPSA-N 0 3 246.354 1.485 20 30 BDEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C#CC1CC1 ZINC000837654144 587888115 /nfs/dbraw/zinc/88/81/15/587888115.db2.gz SQBKMJMNHHLOBA-JSGCOSHPSA-N 0 3 246.354 1.485 20 30 BDEDHN C=C[C@@H](O)C(=O)OCCN(C)Cc1ccccc1 ZINC000837746819 587893800 /nfs/dbraw/zinc/89/38/00/587893800.db2.gz OLMHMWGKDWKXEI-CYBMUJFWSA-N 0 3 249.310 1.209 20 30 BDEDHN C#CCC(C)(C)C(=O)NCC1(N(C)C)CC1 ZINC000841455585 587955163 /nfs/dbraw/zinc/95/51/63/587955163.db2.gz VMJBXLKDZYFPID-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN c1cc2c(s1)CCCC2=NNC1=NCCN1 ZINC000841660008 587969322 /nfs/dbraw/zinc/96/93/22/587969322.db2.gz OPUMSDLGBDYUSV-UHFFFAOYSA-N 0 3 234.328 1.337 20 30 BDEDHN CCC(=NNC1=NCCN1)c1cccs1 ZINC000841660094 587969539 /nfs/dbraw/zinc/96/95/39/587969539.db2.gz CSOAETKSYGACJZ-UHFFFAOYSA-N 0 3 222.317 1.411 20 30 BDEDHN C=CCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842158838 588004635 /nfs/dbraw/zinc/00/46/35/588004635.db2.gz WTARVODUHSGTJP-CYBMUJFWSA-N 0 3 216.284 1.709 20 30 BDEDHN CSc1ccc2c(c1)C(=NNC(=N)N)CCC2 ZINC000842525437 588033365 /nfs/dbraw/zinc/03/33/65/588033365.db2.gz PKLDCOOWZPDZDW-UHFFFAOYSA-N 0 3 248.355 1.932 20 30 BDEDHN C=CCN1CCC(NC(=O)C2(F)CC2)CC1 ZINC000843791530 588140725 /nfs/dbraw/zinc/14/07/25/588140725.db2.gz MCYIGTIYCUXBLC-UHFFFAOYSA-N 0 3 226.295 1.255 20 30 BDEDHN C#CC[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC000844002088 588154368 /nfs/dbraw/zinc/15/43/68/588154368.db2.gz UBRMPDJIWSZULE-CYBMUJFWSA-N 0 3 236.359 1.590 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@](C)(CO)CCCC ZINC000844020698 588156583 /nfs/dbraw/zinc/15/65/83/588156583.db2.gz TYLJBZUJHBRHPI-ZDUSSCGKSA-N 0 3 242.363 1.162 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(C2(O)CC2)CC1 ZINC000844363281 588187858 /nfs/dbraw/zinc/18/78/58/588187858.db2.gz PUURMUNDBQDCMA-NSHDSACASA-N 0 3 238.331 1.152 20 30 BDEDHN C#CCCN1CCN(CCOC)CC1(C)C ZINC000844431480 588192311 /nfs/dbraw/zinc/19/23/11/588192311.db2.gz IAJPDFGKJMRSGW-UHFFFAOYSA-N 0 3 224.348 1.052 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@@]2(CC2(F)F)C1 ZINC000844468449 588197526 /nfs/dbraw/zinc/19/75/26/588197526.db2.gz NQTJDKTVZVKTMK-VHSXEESVSA-N 0 3 230.258 1.646 20 30 BDEDHN C=CC[C@H]1CC[C@H](NCc2cnnn2C)C1 ZINC000845971825 588252254 /nfs/dbraw/zinc/25/22/54/588252254.db2.gz FCMZZZZSJBBGHP-QWRGUYRKSA-N 0 3 220.320 1.650 20 30 BDEDHN C=CC[C@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000845971826 588252485 /nfs/dbraw/zinc/25/24/85/588252485.db2.gz FCMZZZZSJBBGHP-WDEREUQCSA-N 0 3 220.320 1.650 20 30 BDEDHN CCON(C)C(=O)CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000846064440 588255255 /nfs/dbraw/zinc/25/52/55/588255255.db2.gz MKTXVUJIPVTIAQ-GHMZBOCLSA-N 0 3 239.319 1.068 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846576450 588278318 /nfs/dbraw/zinc/27/83/18/588278318.db2.gz WAVBDDONTISJDA-WPRPVWTQSA-N 0 3 228.242 1.794 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000846623422 588279833 /nfs/dbraw/zinc/27/98/33/588279833.db2.gz FQNKXXNGTLEIIR-NSHDSACASA-N 0 3 244.285 1.362 20 30 BDEDHN C#CCCN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000846930625 588297617 /nfs/dbraw/zinc/29/76/17/588297617.db2.gz UCXQJWBYDVOTLA-LBPRGKRZSA-N 0 3 234.343 1.246 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC(C(C)=O)CC1 ZINC000846947684 588298199 /nfs/dbraw/zinc/29/81/99/588298199.db2.gz WQHCARPOXWOYJP-LBPRGKRZSA-N 0 3 211.305 1.224 20 30 BDEDHN C#C[C@@H]1CCCN(CC(OCC)OCC)C1 ZINC000847022112 588302591 /nfs/dbraw/zinc/30/25/91/588302591.db2.gz SHJYYBQXXVJOST-GFCCVEGCSA-N 0 3 225.332 1.731 20 30 BDEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CC)CC)C1 ZINC000847023381 588303329 /nfs/dbraw/zinc/30/33/29/588303329.db2.gz LTFKXTNURXXLGH-QWHCGFSZSA-N 0 3 236.359 1.589 20 30 BDEDHN C#C[C@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000847025285 588303709 /nfs/dbraw/zinc/30/37/09/588303709.db2.gz NNJDMSZSOQQVFT-STQMWFEESA-N 0 3 225.332 1.118 20 30 BDEDHN C#C[C@@H]1CCCN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000847038762 588304610 /nfs/dbraw/zinc/30/46/10/588304610.db2.gz YQTRSBZAZXNLDE-CHWSQXEVSA-N 0 3 248.370 1.731 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000847037491 588304808 /nfs/dbraw/zinc/30/48/08/588304808.db2.gz UZYIZWHCUSGQOO-YPMHNXCESA-N 0 3 248.326 1.315 20 30 BDEDHN C#CCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000847568271 588317008 /nfs/dbraw/zinc/31/70/08/588317008.db2.gz YIJAUPCQCKIGNI-GFCCVEGCSA-N 0 3 222.332 1.248 20 30 BDEDHN C#C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000848277097 588369328 /nfs/dbraw/zinc/36/93/28/588369328.db2.gz NLFXBTNSEZNKAB-CHWSQXEVSA-N 0 3 234.343 1.200 20 30 BDEDHN C=CCC[C@@H](CO)NCc1cnc(Cl)n1C ZINC000848555772 588396821 /nfs/dbraw/zinc/39/68/21/588396821.db2.gz WJIVLMHXYQVHLT-VIFPVBQESA-N 0 3 243.738 1.490 20 30 BDEDHN C#C[C@@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000848923019 588420810 /nfs/dbraw/zinc/42/08/10/588420810.db2.gz CEMHSINOXYTPEC-GFCCVEGCSA-N 0 3 217.316 1.872 20 30 BDEDHN C[C@H](C#N)CN=C(NCc1ccccc1)N(C)C ZINC000849003957 588431707 /nfs/dbraw/zinc/43/17/07/588431707.db2.gz QGWPAPXGPMQCLK-GFCCVEGCSA-N 0 3 244.342 1.853 20 30 BDEDHN C#CCCCNCc1c(C(F)(F)F)cnn1C ZINC000850162541 588522564 /nfs/dbraw/zinc/52/25/64/588522564.db2.gz JCPKSFXEZFRDNN-UHFFFAOYSA-N 0 3 245.248 1.942 20 30 BDEDHN C#CCNC(=O)CN[C@@H](C)c1ccccc1 ZINC000007336068 588532826 /nfs/dbraw/zinc/53/28/26/588532826.db2.gz WTVRMNRPZFDBEQ-NSHDSACASA-N 0 3 216.284 1.087 20 30 BDEDHN C#Cc1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417934 588544795 /nfs/dbraw/zinc/54/47/95/588544795.db2.gz RTYYLKWDMYBYDZ-JOCQHMNTSA-N 0 3 201.269 1.281 20 30 BDEDHN C#C[C@H](N[C@H](C)CSCCF)[C@H]1CCCO1 ZINC000850461930 588548072 /nfs/dbraw/zinc/54/80/72/588548072.db2.gz MEFHGXYOVBYVRI-GRYCIOLGSA-N 0 3 245.363 1.848 20 30 BDEDHN N#CC(C(=O)C1CC2(CC2)C1)C(=O)N1CCCC1 ZINC000850751859 588565336 /nfs/dbraw/zinc/56/53/36/588565336.db2.gz IIACIPQHCUAIBM-LLVKDONJSA-N 0 3 246.310 1.508 20 30 BDEDHN C=CC(C)(C)CCOC(=O)C1CCN(C)C1=O ZINC000851299983 588600318 /nfs/dbraw/zinc/60/03/18/588600318.db2.gz HTBYPKMPYNDIJX-JTQLQIEISA-N 0 3 239.315 1.610 20 30 BDEDHN CCNCC(=O)NCC1(C#N)CCCCC1 ZINC000851645763 588612692 /nfs/dbraw/zinc/61/26/92/588612692.db2.gz NWRFIKWNQHSJTK-UHFFFAOYSA-N 0 3 223.320 1.186 20 30 BDEDHN C#CCOCCN1CCc2ccccc2C1 ZINC000851712980 588615939 /nfs/dbraw/zinc/61/59/39/588615939.db2.gz WIIUIOVDWBNCPR-UHFFFAOYSA-N 0 3 215.296 1.695 20 30 BDEDHN C#CCOCCN(CC)C[C@@H]1CCCO1 ZINC000851740379 588621482 /nfs/dbraw/zinc/62/14/82/588621482.db2.gz QIGJEGNSSRHPQP-LBPRGKRZSA-N 0 3 211.305 1.137 20 30 BDEDHN C#CCOCCN[C@](C)(CO)c1ccccc1 ZINC000851765652 588624843 /nfs/dbraw/zinc/62/48/43/588624843.db2.gz WPLYHVJFYOCMRN-CQSZACIVSA-N 0 3 233.311 1.134 20 30 BDEDHN C#CCN(C[C@@H](COC)OC)C1CCCC1 ZINC000851808439 588631538 /nfs/dbraw/zinc/63/15/38/588631538.db2.gz MVYFFNQXBYSWAF-ZDUSSCGKSA-N 0 3 225.332 1.526 20 30 BDEDHN C#CCN(C[C@@H]1CCC(=O)O1)C1CCCC1 ZINC000851808450 588631774 /nfs/dbraw/zinc/63/17/74/588631774.db2.gz NAKNBHCMYWZTIR-LBPRGKRZSA-N 0 3 221.300 1.570 20 30 BDEDHN C#CCN(C[C@H](COC)OC)C1CCCC1 ZINC000851808438 588631883 /nfs/dbraw/zinc/63/18/83/588631883.db2.gz MVYFFNQXBYSWAF-CYBMUJFWSA-N 0 3 225.332 1.526 20 30 BDEDHN C#CCOCCN1CCC[C@H]1c1ccncc1 ZINC000851871385 588637035 /nfs/dbraw/zinc/63/70/35/588637035.db2.gz PZRUBAMOUXXOKM-AWEZNQCLSA-N 0 3 230.311 1.868 20 30 BDEDHN C#CCCN1CCN(Cc2cccc(N)c2)CC1 ZINC000851873114 588637620 /nfs/dbraw/zinc/63/76/20/588637620.db2.gz QJPRKZGALDQGEG-UHFFFAOYSA-N 0 3 243.354 1.410 20 30 BDEDHN N#CCCCN1CC[C@H](CN2CCOC2=O)C1 ZINC000852095574 588661814 /nfs/dbraw/zinc/66/18/14/588661814.db2.gz YOGPKDXCYSROMX-NSHDSACASA-N 0 3 237.303 1.064 20 30 BDEDHN C#C[C@@](C)(CC)NCCc1nnn(C(C)(C)C)n1 ZINC000852104836 588663720 /nfs/dbraw/zinc/66/37/20/588663720.db2.gz ONRUYPJHDJKPOM-ZDUSSCGKSA-N 0 3 249.362 1.362 20 30 BDEDHN C#C[C@](C)(CC)N[C@@H]1CCN(CC=C)C1=O ZINC000852103797 588663887 /nfs/dbraw/zinc/66/38/87/588663887.db2.gz RACHVKZWWUWDDB-DGCLKSJQSA-N 0 3 220.316 1.165 20 30 BDEDHN C#CCOCCN(Cc1cnn(C)c1)CC(C)C ZINC000852156896 588667767 /nfs/dbraw/zinc/66/77/67/588667767.db2.gz WOLAUZJKRDXZLT-UHFFFAOYSA-N 0 3 249.358 1.528 20 30 BDEDHN C#CC1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000852206080 588671735 /nfs/dbraw/zinc/67/17/35/588671735.db2.gz YAAOMECFBJHFBL-LLVKDONJSA-N 0 3 207.273 1.037 20 30 BDEDHN N#CC[C@@H]1CCCN(C[C@H](O)C2CC2)C1 ZINC000852321261 588678320 /nfs/dbraw/zinc/67/83/20/588678320.db2.gz STYXRVNTRQWGBN-JQWIXIFHSA-N 0 3 208.305 1.383 20 30 BDEDHN N#CC[C@H]1CCCN(C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000852320071 588678389 /nfs/dbraw/zinc/67/83/89/588678389.db2.gz VSHHMJKKTIWVER-NEPJUHHUSA-N 0 3 248.326 1.708 20 30 BDEDHN COC(CCN1CCC[C@@H](CC#N)C1)OC ZINC000852320497 588678439 /nfs/dbraw/zinc/67/84/39/588678439.db2.gz LJJHCFSJAZKZML-NSHDSACASA-N 0 3 226.320 1.621 20 30 BDEDHN C[C@@H](C#N)OCCN(C)CC1=CCCOC1 ZINC000852517073 588687751 /nfs/dbraw/zinc/68/77/51/588687751.db2.gz XRPUPSJETXCYGA-NSHDSACASA-N 0 3 224.304 1.194 20 30 BDEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852595185 588692565 /nfs/dbraw/zinc/69/25/65/588692565.db2.gz GRFORTBDBCEWBO-OLZOCXBDSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852595184 588692746 /nfs/dbraw/zinc/69/27/46/588692746.db2.gz GRFORTBDBCEWBO-CHWSQXEVSA-N 0 3 207.317 1.901 20 30 BDEDHN C#CCOCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000852681526 588695650 /nfs/dbraw/zinc/69/56/50/588695650.db2.gz SCGKSKFCXVNQCU-OAHLLOKOSA-N 0 3 245.322 1.790 20 30 BDEDHN C#CCCN(CCOC)CCC(C)(C)O ZINC000852750201 588700040 /nfs/dbraw/zinc/70/00/40/588700040.db2.gz NONZOXQYMJRTFT-UHFFFAOYSA-N 0 3 213.321 1.119 20 30 BDEDHN C=CCCC(C)(C)NC(=O)[C@@]1(F)CCNC1 ZINC000852920010 588713315 /nfs/dbraw/zinc/71/33/15/588713315.db2.gz IMWHDTPBSDTABF-GFCCVEGCSA-N 0 3 228.311 1.549 20 30 BDEDHN CCC[C@H](OCC)C(=O)C(C#N)c1ccncn1 ZINC000860657414 589112791 /nfs/dbraw/zinc/11/27/91/589112791.db2.gz WTMOFJAHSDRVQP-JQWIXIFHSA-N 0 3 247.298 1.858 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC[C@@H]1C(F)F ZINC000861543948 589167690 /nfs/dbraw/zinc/16/76/90/589167690.db2.gz GPDLCENEASUMCL-SNVBAGLBSA-N 0 3 246.301 1.750 20 30 BDEDHN C#CCOc1ccccc1CNCC1(CO)CC1 ZINC000118906909 589204383 /nfs/dbraw/zinc/20/43/83/589204383.db2.gz YBKRZIHIXHQLPG-UHFFFAOYSA-N 0 3 245.322 1.561 20 30 BDEDHN C#CC[C@H]1CCN(Cc2ccc(C(=O)OC)o2)C1 ZINC000862445045 589214657 /nfs/dbraw/zinc/21/46/57/589214657.db2.gz KOVYYZWOMVWYIH-NSHDSACASA-N 0 3 247.294 1.911 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000862566013 589222864 /nfs/dbraw/zinc/22/28/64/589222864.db2.gz GHLPHPYRFDJCOQ-CHWSQXEVSA-N 0 3 236.359 1.444 20 30 BDEDHN C#CC[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000862567657 589223357 /nfs/dbraw/zinc/22/33/57/589223357.db2.gz KAFVPGIZZDYLEV-HZSPNIEDSA-N 0 3 248.370 1.731 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](CO)CCC(C)C ZINC000862777777 589241223 /nfs/dbraw/zinc/24/12/23/589241223.db2.gz AFGAEYFJAAIPOI-LBPRGKRZSA-N 0 3 242.363 1.018 20 30 BDEDHN COC(=O)CC1CCC(=Nn2cnnc2)CC1 ZINC000863062541 589253648 /nfs/dbraw/zinc/25/36/48/589253648.db2.gz DDRNERXMTZQUAK-UHFFFAOYSA-N 0 3 236.275 1.236 20 30 BDEDHN CCC(CCc1ccccc1)N=NC(=N)N ZINC000863079728 589254760 /nfs/dbraw/zinc/25/47/60/589254760.db2.gz YHEDDPORCZHTKA-UHFFFAOYSA-N 0 3 218.304 1.868 20 30 BDEDHN CC(=NNC1=N[C@@H](C)CN1)C1CC(F)(F)C1 ZINC000863104670 589256407 /nfs/dbraw/zinc/25/64/07/589256407.db2.gz DBJSPXLGZNHKJP-LURJTMIESA-N 0 3 230.262 1.345 20 30 BDEDHN COCCCON=C1CN2C[C@@H]1CCC2 ZINC000863112045 589258205 /nfs/dbraw/zinc/25/82/05/589258205.db2.gz BSVJMHJGTRTGAV-JTQLQIEISA-N 0 3 212.293 1.121 20 30 BDEDHN C#CCNN=C(CC)c1ccc(N)cc1 ZINC000863117736 589259610 /nfs/dbraw/zinc/25/96/10/589259610.db2.gz CAZOYMYNURVYQN-UHFFFAOYSA-N 0 3 201.273 1.606 20 30 BDEDHN CCn1cncc1C=NNc1ccnc(C)c1 ZINC000863160883 589264927 /nfs/dbraw/zinc/26/49/27/589264927.db2.gz UGSOAUFSHRIOLU-UHFFFAOYSA-N 0 3 229.287 1.474 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)o1 ZINC000865691791 589456459 /nfs/dbraw/zinc/45/64/59/589456459.db2.gz GFRJLMMFSSRVFJ-TUIFDTLZSA-N 0 3 244.294 1.664 20 30 BDEDHN N#Cc1ccc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)o1 ZINC000865691792 589456469 /nfs/dbraw/zinc/45/64/69/589456469.db2.gz GFRJLMMFSSRVFJ-WESMLRFZSA-N 0 3 244.294 1.664 20 30 BDEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc[nH]n1)C2 ZINC000865847400 589464731 /nfs/dbraw/zinc/46/47/31/589464731.db2.gz DHOXVTBMXISGGT-AWEZNQCLSA-N 0 3 238.294 1.538 20 30 BDEDHN N#Cc1ccc(CN[C@]23CCC[C@H]2OCC3)o1 ZINC000865859641 589465742 /nfs/dbraw/zinc/46/57/42/589465742.db2.gz VVBGSEBMRCSDFO-OLZOCXBDSA-N 0 3 232.283 1.952 20 30 BDEDHN C#Cc1cnc(N2CCN(C)C(C)(C)CC2)nc1 ZINC000866113244 589477227 /nfs/dbraw/zinc/47/72/27/589477227.db2.gz WFYJBMDJWPXDGN-UHFFFAOYSA-N 0 3 244.342 1.378 20 30 BDEDHN C#Cc1cccnc1N1CCN(C)C(C)(C)CC1 ZINC000866112717 589477351 /nfs/dbraw/zinc/47/73/51/589477351.db2.gz KKXRNZPZLBVMNI-UHFFFAOYSA-N 0 3 243.354 1.983 20 30 BDEDHN C#Cc1cccnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000866218433 589481480 /nfs/dbraw/zinc/48/14/80/589481480.db2.gz PDUGQJDOZBKLGU-CQSZACIVSA-N 0 3 243.354 1.839 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC[C@H]1CCSC1 ZINC000869599066 589615650 /nfs/dbraw/zinc/61/56/50/589615650.db2.gz DXPXIQYCSGCHBM-NSHDSACASA-N 0 3 242.388 1.364 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000870535388 589672283 /nfs/dbraw/zinc/67/22/83/589672283.db2.gz KXKVFBBXNDPKLV-AAEUAGOBSA-N 0 3 222.332 1.553 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000870671746 589682416 /nfs/dbraw/zinc/68/24/16/589682416.db2.gz QQXVAGBHGXMHMW-VXGBXAGGSA-N 0 3 235.331 1.255 20 30 BDEDHN N#CCC[C@H](C#N)CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000871906338 589831791 /nfs/dbraw/zinc/83/17/91/589831791.db2.gz KWHGUIUOYLYEPJ-QQOHENMQSA-N 0 3 245.326 1.443 20 30 BDEDHN COC(C)(C)CCNC[C@H](C#N)CCC#N ZINC000871918339 589832701 /nfs/dbraw/zinc/83/27/01/589832701.db2.gz WRWRSYNKVYSWBR-NSHDSACASA-N 0 3 223.320 1.835 20 30 BDEDHN C#CCNC(=O)CCN1CC(c2ccccc2)C1 ZINC000871988995 589853781 /nfs/dbraw/zinc/85/37/81/589853781.db2.gz WFWBJMDHPTZHFA-UHFFFAOYSA-N 0 3 242.322 1.225 20 30 BDEDHN CC(C)(O)C[C@H](O)CNCc1cccc(C#N)c1 ZINC000872197595 589889657 /nfs/dbraw/zinc/88/96/57/589889657.db2.gz CVNQNZQIJKMUJS-ZDUSSCGKSA-N 0 3 248.326 1.170 20 30 BDEDHN CCNc1ccccc1C=NN[C@@H](C)CO ZINC000872356096 589917583 /nfs/dbraw/zinc/91/75/83/589917583.db2.gz ZFXWBMLORZXMAY-JTQLQIEISA-N 0 3 221.304 1.423 20 30 BDEDHN CCC(=NNC1=N[C@@H](C)CN1)[C@H]1CCCOC1 ZINC000872364104 589920708 /nfs/dbraw/zinc/92/07/08/589920708.db2.gz CXKJIOQUXKLURP-UWVGGRQHSA-N 0 3 238.335 1.116 20 30 BDEDHN CCNc1ccccc1C=NNC[C@@H](C)O ZINC000872377918 589926697 /nfs/dbraw/zinc/92/66/97/589926697.db2.gz OKOODNFMXLOJLR-SNVBAGLBSA-N 0 3 221.304 1.423 20 30 BDEDHN C=C(C)CNCc1ccc(C(=O)OC)n1C ZINC000873122681 589985439 /nfs/dbraw/zinc/98/54/39/589985439.db2.gz UPELOBGOIUOQCT-UHFFFAOYSA-N 0 3 222.288 1.477 20 30 BDEDHN N#Cc1ccc(CNCCC[C@@H]2CCOC2=O)o1 ZINC000873161222 589989459 /nfs/dbraw/zinc/98/94/59/589989459.db2.gz LWSIOPBRIXUKFV-SNVBAGLBSA-N 0 3 248.282 1.584 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1nccnc1C ZINC000874657303 590121622 /nfs/dbraw/zinc/12/16/22/590121622.db2.gz BXDYZKAGMFRCCT-LLVKDONJSA-N 0 3 248.330 1.080 20 30 BDEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CCCC#N ZINC000874829694 590141877 /nfs/dbraw/zinc/14/18/77/590141877.db2.gz NYLZMRXCPADVOX-NEPJUHHUSA-N 0 3 235.331 1.375 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCCCC1 ZINC000876544546 590212993 /nfs/dbraw/zinc/21/29/93/590212993.db2.gz VRDYDUITKGASQF-SNVBAGLBSA-N 0 3 230.739 1.905 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000876545181 590213163 /nfs/dbraw/zinc/21/31/63/590213163.db2.gz CJGIWCMWVLJKCD-QXEWZRGKSA-N 0 3 244.766 1.961 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CC ZINC000876545144 590213390 /nfs/dbraw/zinc/21/33/90/590213390.db2.gz BFGBEIQUOPVJSR-MRVPVSSYSA-N 0 3 204.701 1.325 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC(CC)CC ZINC000876547195 590213936 /nfs/dbraw/zinc/21/39/36/590213936.db2.gz KQVWOGGSPSJUFG-SECBINFHSA-N 0 3 218.728 1.761 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000876603577 590220917 /nfs/dbraw/zinc/22/09/17/590220917.db2.gz XJYYULDYVSYVMB-SECBINFHSA-N 0 3 246.738 1.094 20 30 BDEDHN C#CCCCCCCN1CCC[C@@H]1C(=O)NC ZINC000876620497 590223077 /nfs/dbraw/zinc/22/30/77/590223077.db2.gz NFRZPBADQWMVBA-CYBMUJFWSA-N 0 3 236.359 1.781 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000876649173 590225693 /nfs/dbraw/zinc/22/56/93/590225693.db2.gz NZACQDVEKYXPKM-UJNFCWOMSA-N 0 3 230.739 1.761 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000876668530 590228154 /nfs/dbraw/zinc/22/81/54/590228154.db2.gz MHHVGMYCPQAFSB-YUMQZZPRSA-N 0 3 234.752 1.078 20 30 BDEDHN C#CCCCCCCN1CCN(CC#N)CC1 ZINC000876677854 590229605 /nfs/dbraw/zinc/22/96/05/590229605.db2.gz WPNGILJWUJZJEB-UHFFFAOYSA-N 0 3 233.359 1.711 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccn1 ZINC000876707015 590232321 /nfs/dbraw/zinc/23/23/21/590232321.db2.gz OKPOJQFSDYHGAD-SECBINFHSA-N 0 3 239.706 1.798 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnccc1C ZINC000876729622 590234284 /nfs/dbraw/zinc/23/42/84/590234284.db2.gz SDSJOMCCYGNVDZ-SECBINFHSA-N 0 3 239.706 1.798 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)SC ZINC000876805630 590244361 /nfs/dbraw/zinc/24/43/61/590244361.db2.gz DGMKTKIUPXMPOY-HTQZYQBOSA-N 0 3 236.768 1.324 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ncoc1C ZINC000876806038 590244648 /nfs/dbraw/zinc/24/46/48/590244648.db2.gz JFVUNZLZIOUUPX-MRVPVSSYSA-N 0 3 243.694 1.069 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000876939682 590259280 /nfs/dbraw/zinc/25/92/80/590259280.db2.gz LKDBXGROUOGGMJ-MMWGEVLESA-N 0 3 242.750 1.761 20 30 BDEDHN C=CC[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000876994961 590266924 /nfs/dbraw/zinc/26/69/24/590266924.db2.gz UBEQEVTWXXTLFP-JQWIXIFHSA-N 0 3 226.295 1.113 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC/C=C\C ZINC000877060841 590271507 /nfs/dbraw/zinc/27/15/07/590271507.db2.gz RMALYWJRSZFWEB-TUUFMJSCSA-N 0 3 202.685 1.149 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC000877131754 590290425 /nfs/dbraw/zinc/29/04/25/590290425.db2.gz JUXHSAJXEMRNBZ-ZJUUUORDSA-N 0 3 242.750 1.905 20 30 BDEDHN C=C(Cl)CN[C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000877149084 590292543 /nfs/dbraw/zinc/29/25/43/590292543.db2.gz DYHLSAJCMWGORV-UWVGGRQHSA-N 0 3 230.739 1.776 20 30 BDEDHN C#CCCCCCCNCc1cn(C)nn1 ZINC000877194208 590299688 /nfs/dbraw/zinc/29/96/88/590299688.db2.gz DEHNAYHZRRJTBW-UHFFFAOYSA-N 0 3 220.320 1.488 20 30 BDEDHN CC[C@@H](N)C(=O)N(C)CCc1cccc(C#N)c1 ZINC000877224018 590301341 /nfs/dbraw/zinc/30/13/41/590301341.db2.gz SEFLVJBQVYIASV-CYBMUJFWSA-N 0 3 245.326 1.296 20 30 BDEDHN CC[C@@H](NC)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000877270813 590304906 /nfs/dbraw/zinc/30/49/06/590304906.db2.gz KVWXJLWNBLLBIC-LLVKDONJSA-N 0 3 247.298 1.503 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000877308235 590311543 /nfs/dbraw/zinc/31/15/43/590311543.db2.gz QQHCHKFDYRPCOG-OLZOCXBDSA-N 0 3 249.358 1.870 20 30 BDEDHN C#C[C@H](N[C@@H](C)Cc1cnccn1)C(C)C ZINC000877513109 590341142 /nfs/dbraw/zinc/34/11/42/590341142.db2.gz LGPPCHPVWIVJOS-AAEUAGOBSA-N 0 3 217.316 1.655 20 30 BDEDHN C#C[C@H](CC)NCc1ccc(C(=O)OCC)[nH]1 ZINC000877513030 590343924 /nfs/dbraw/zinc/34/39/24/590343924.db2.gz JOFCQULWYVPGKU-SNVBAGLBSA-N 0 3 234.299 1.693 20 30 BDEDHN C#C[C@H](CC)NC[C@H](OC)C1CCOCC1 ZINC000877513205 590344119 /nfs/dbraw/zinc/34/41/19/590344119.db2.gz NYGHMYUKWMKWBT-OLZOCXBDSA-N 0 3 225.332 1.429 20 30 BDEDHN C#C[C@@H](CC)NCc1cccn(C(F)F)c1=O ZINC000877513574 590344436 /nfs/dbraw/zinc/34/44/36/590344436.db2.gz YRMDGWKHDXPHQY-JTQLQIEISA-N 0 3 240.253 1.745 20 30 BDEDHN C[C@@H](CCC#N)CN[C@H]1CCn2ccnc21 ZINC000877557178 590357852 /nfs/dbraw/zinc/35/78/52/590357852.db2.gz OJPSAPOJLRPELG-QWRGUYRKSA-N 0 3 218.304 1.857 20 30 BDEDHN C[C@@H](CCC#N)CN1CC[C@](O)(C(F)F)C1 ZINC000877562895 590359789 /nfs/dbraw/zinc/35/97/89/590359789.db2.gz BUGPZDRJLADBNJ-GXSJLCMTSA-N 0 3 232.274 1.628 20 30 BDEDHN C[C@@H](CCC#N)CN1CCCN(C=O)CC1 ZINC000877642239 590383451 /nfs/dbraw/zinc/38/34/51/590383451.db2.gz HWEGEGPYNXEARN-LBPRGKRZSA-N 0 3 223.320 1.090 20 30 BDEDHN C#CCCCCCCNCc1cnnn1CC ZINC000877647705 590383634 /nfs/dbraw/zinc/38/36/34/590383634.db2.gz FKKGGEMPUWTQMC-UHFFFAOYSA-N 0 3 234.347 1.971 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cccc(C#N)n1 ZINC000877660155 590387012 /nfs/dbraw/zinc/38/70/12/590387012.db2.gz GJXOOMMPTXUQNR-LBPRGKRZSA-N 0 3 243.310 1.471 20 30 BDEDHN C#CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877662317 590387719 /nfs/dbraw/zinc/38/77/19/590387719.db2.gz PRFYVWIORIIQJH-ZDUSSCGKSA-N 0 3 233.311 1.829 20 30 BDEDHN C=CC[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC000877902199 590443448 /nfs/dbraw/zinc/44/34/48/590443448.db2.gz IOPWNSSIRCPIAK-UONOGXRCSA-N 0 3 238.375 1.748 20 30 BDEDHN C=CC[C@H](C)N(C)CC(=O)NCCCOC ZINC000877950395 590454616 /nfs/dbraw/zinc/45/46/16/590454616.db2.gz FTEUOMFWGXDGSH-NSHDSACASA-N 0 3 228.336 1.036 20 30 BDEDHN C#CCCCCCN1CCN(C[C@@H](C)O)CC1 ZINC000878047172 590481529 /nfs/dbraw/zinc/48/15/29/590481529.db2.gz CHQXWLSRXIXVEG-CQSZACIVSA-N 0 3 238.375 1.178 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](C)[C@H]1C ZINC000878164921 590511086 /nfs/dbraw/zinc/51/10/86/590511086.db2.gz PIRBEMMEFFIFJV-GMTAPVOTSA-N 0 3 211.305 1.834 20 30 BDEDHN C=CC[C@H](C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000878170492 590514062 /nfs/dbraw/zinc/51/40/62/590514062.db2.gz HDJWMKQCLYNVGS-UONOGXRCSA-N 0 3 238.375 1.605 20 30 BDEDHN C#CC[C@@H](NCCn1cnnn1)c1ccccc1 ZINC000878362709 590554685 /nfs/dbraw/zinc/55/46/85/590554685.db2.gz FPVBKWQSNQCCKN-CYBMUJFWSA-N 0 3 241.298 1.027 20 30 BDEDHN C=C(C)CN(C)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878383789 590557715 /nfs/dbraw/zinc/55/77/15/590557715.db2.gz VXGAOIRHIZRIID-CABCVRRESA-N 0 3 249.354 1.979 20 30 BDEDHN C#CCCCCCN1CCO[C@]2(CCOC2)C1 ZINC000878441731 590568082 /nfs/dbraw/zinc/56/80/82/590568082.db2.gz VJMKTBNSTHPLAK-CQSZACIVSA-N 0 3 237.343 1.671 20 30 BDEDHN C=CC[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000878479674 590575659 /nfs/dbraw/zinc/57/56/59/590575659.db2.gz JDOGJXUNDKVKSX-CHWSQXEVSA-N 0 3 240.391 1.728 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H](O)CC1(CO)CCCC1 ZINC000878516887 590585814 /nfs/dbraw/zinc/58/58/14/590585814.db2.gz LACVGEIGUCBXFJ-CHWSQXEVSA-N 0 3 239.359 1.244 20 30 BDEDHN C=CCN1CC[C@@H](N(C)CCCC2CC2)C1=O ZINC000878550508 590590541 /nfs/dbraw/zinc/59/05/41/590590541.db2.gz XLRMSVZJXAUGNM-CYBMUJFWSA-N 0 3 236.359 1.895 20 30 BDEDHN C#CCCCCCN1CCOC[C@@H]1CCOC ZINC000878636934 590599196 /nfs/dbraw/zinc/59/91/96/590599196.db2.gz PDPZPKIMHBSDDF-AWEZNQCLSA-N 0 3 239.359 1.917 20 30 BDEDHN C#C[C@](C)(CC)NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878661188 590604257 /nfs/dbraw/zinc/60/42/57/590604257.db2.gz ZNVARMBJPDIJJR-MJBXVCDLSA-N 0 3 239.359 1.290 20 30 BDEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000127300643 590617100 /nfs/dbraw/zinc/61/71/00/590617100.db2.gz VKDLTOQIWOUBTA-ZDUSSCGKSA-N 0 3 248.326 1.294 20 30 BDEDHN C#CC[C@H]1CCCN(CCc2cnccn2)C1 ZINC000878759997 590619310 /nfs/dbraw/zinc/61/93/10/590619310.db2.gz DHIZIULQKXGRJC-ZDUSSCGKSA-N 0 3 229.327 1.754 20 30 BDEDHN C#CCN(C[C@H]1CCO[C@@H](C)C1)C1CSC1 ZINC000878909414 590645837 /nfs/dbraw/zinc/64/58/37/590645837.db2.gz CDEWMIDGHAYASL-RYUDHWBXSA-N 0 3 239.384 1.852 20 30 BDEDHN N#CCCCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879048091 590686998 /nfs/dbraw/zinc/68/69/98/590686998.db2.gz QADCWPOAOHPSAJ-NSHDSACASA-N 0 3 241.310 1.216 20 30 BDEDHN N#CCCCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879048090 590687302 /nfs/dbraw/zinc/68/73/02/590687302.db2.gz QADCWPOAOHPSAJ-LLVKDONJSA-N 0 3 241.310 1.216 20 30 BDEDHN C#CCN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239903 590719602 /nfs/dbraw/zinc/71/96/02/590719602.db2.gz ICDPVTLIGZAYJL-UONOGXRCSA-N 0 3 215.296 1.818 20 30 BDEDHN C[C@@H](O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000879459410 590774305 /nfs/dbraw/zinc/77/43/05/590774305.db2.gz OCBKYVUTKKBTOJ-WZRBSPASSA-N 0 3 222.332 1.771 20 30 BDEDHN C=CCC[C@H](O)CN[C@H](C)c1ccnn1C ZINC000879684596 590846845 /nfs/dbraw/zinc/84/68/45/590846845.db2.gz KUTHKAIWTUDQJV-MNOVXSKESA-N 0 3 223.320 1.398 20 30 BDEDHN C[C@H](CCC#N)N[C@H](C)c1ccnn1C ZINC000879686803 590848905 /nfs/dbraw/zinc/84/89/05/590848905.db2.gz JJTCYBAOFUNFIT-NXEZZACHSA-N 0 3 206.293 1.763 20 30 BDEDHN CC#CCN(CCOC)C1CCOCC1 ZINC000879708537 590854067 /nfs/dbraw/zinc/85/40/67/590854067.db2.gz WKQSUNKJFIPUMF-UHFFFAOYSA-N 0 3 211.305 1.137 20 30 BDEDHN C#CCNC(=O)CN1CC[C@]1(C)C1CCCCC1 ZINC000879786993 590869332 /nfs/dbraw/zinc/86/93/32/590869332.db2.gz BZRDIWFNTQBDDC-OAHLLOKOSA-N 0 3 248.370 1.781 20 30 BDEDHN C=C(CC)C[NH+]1CCC(C(=O)[N-]OC)CC1 ZINC000879923373 590889020 /nfs/dbraw/zinc/88/90/20/590889020.db2.gz DVEGBOFYWGYBRL-UHFFFAOYSA-N 0 3 226.320 1.342 20 30 BDEDHN C=CCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930333 590891219 /nfs/dbraw/zinc/89/12/19/590891219.db2.gz DQTXFWCFGZVFBA-RYUDHWBXSA-N 0 3 243.372 1.319 20 30 BDEDHN C=C(C)CCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879937137 590891887 /nfs/dbraw/zinc/89/18/87/590891887.db2.gz CGVLBNZQAKEZIT-NWDGAFQWSA-N 0 3 243.372 1.319 20 30 BDEDHN CCC1(CC)CCCN1CC(=O)NCCC#N ZINC000880096095 590924746 /nfs/dbraw/zinc/92/47/46/590924746.db2.gz AMXSSYMZXOXXIO-UHFFFAOYSA-N 0 3 237.347 1.671 20 30 BDEDHN C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880132943 590934936 /nfs/dbraw/zinc/93/49/36/590934936.db2.gz RIEMHWGEJYIWOP-MNOVXSKESA-N 0 3 214.740 1.907 20 30 BDEDHN C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880132945 590935313 /nfs/dbraw/zinc/93/53/13/590935313.db2.gz RIEMHWGEJYIWOP-WDEREUQCSA-N 0 3 214.740 1.907 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](CF)C1 ZINC000880234343 590965338 /nfs/dbraw/zinc/96/53/38/590965338.db2.gz IQYVBJZYLVTPOD-QWRGUYRKSA-N 0 3 228.311 1.359 20 30 BDEDHN CO[C@H]1COCC[C@H]1N(C)CC1(CC#N)CC1 ZINC000880434621 591036272 /nfs/dbraw/zinc/03/62/72/591036272.db2.gz FFCFQYYUKOTAOB-NEPJUHHUSA-N 0 3 238.331 1.416 20 30 BDEDHN C#CCC1(O)CCN(C[C@@H]2CCCCO2)CC1 ZINC000880476904 591053505 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/nfs/dbraw/zinc/77/62/86/353776286.db2.gz BXODURACXWTUCO-CYBMUJFWSA-N 0 3 223.291 1.847 20 30 BDEDHN C=CCNC(=O)CN[C@@H](C)c1ccccc1 ZINC000066212644 353785084 /nfs/dbraw/zinc/78/50/84/353785084.db2.gz FHEMBIBKIMFTGM-NSHDSACASA-N 0 3 218.300 1.639 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](SC)C1 ZINC000296513089 353826914 /nfs/dbraw/zinc/82/69/14/353826914.db2.gz ZWQBOGJFDIRIKQ-ZJUUUORDSA-N 0 3 228.361 1.114 20 30 BDEDHN C#CCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296949290 353838240 /nfs/dbraw/zinc/83/82/40/353838240.db2.gz XVQFJPXVBCESLI-UHFFFAOYSA-N 0 3 242.322 1.773 20 30 BDEDHN CCC[C@@H]1CCCCN1CC(=O)NCC#N ZINC000185857436 353858891 /nfs/dbraw/zinc/85/88/91/353858891.db2.gz JDNQOSWNPMYXTQ-LLVKDONJSA-N 0 3 223.320 1.281 20 30 BDEDHN C#CCC(C)(C)C(=O)NC1CCN(CC=C)CC1 ZINC000186287356 353868603 /nfs/dbraw/zinc/86/86/03/353868603.db2.gz JHBGRHJPMHZQQC-UHFFFAOYSA-N 0 3 248.370 1.803 20 30 BDEDHN C=C[C@@H](CO)N[C@@H]1COc2ccc(OC)cc2C1 ZINC000297279938 353846692 /nfs/dbraw/zinc/84/66/92/353846692.db2.gz LFZXIVIOYGMYMD-RYUDHWBXSA-N 0 3 249.310 1.135 20 30 BDEDHN C=CC[C@@H](CC)NCc1ncnn1CC ZINC000393866954 353977425 /nfs/dbraw/zinc/97/74/25/353977425.db2.gz YNBUIQRIEROICN-SNVBAGLBSA-N 0 3 208.309 1.742 20 30 BDEDHN C=CCCC[C@H](C)NC(=O)N(C)CCN(C)C ZINC000343799348 354003505 /nfs/dbraw/zinc/00/35/05/354003505.db2.gz WYENIDIKQMTQEP-LBPRGKRZSA-N 0 3 241.379 1.934 20 30 BDEDHN CC(C)(C)[C@@H](O)CN1CCC(F)(C#N)CC1 ZINC000343938939 354048339 /nfs/dbraw/zinc/04/83/39/354048339.db2.gz MAZPVWZDNBCKHC-JTQLQIEISA-N 0 3 228.311 1.721 20 30 BDEDHN C=CCNC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000344055597 354126856 /nfs/dbraw/zinc/12/68/56/354126856.db2.gz JRGDDINUKTVCIA-GFCCVEGCSA-N 0 3 222.332 1.577 20 30 BDEDHN CC(C#N)C(=O)N(Cc1ccccn1)C1CC1 ZINC000344210315 354165009 /nfs/dbraw/zinc/16/50/09/354165009.db2.gz DBEHKYPNXMYOSZ-JTQLQIEISA-N 0 3 229.283 1.732 20 30 BDEDHN CCO[C@@H]1COC[C@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000449728591 202009651 /nfs/dbraw/zinc/00/96/51/202009651.db2.gz WGNBYZWBOWGONI-YVECIDJPSA-N 0 3 238.331 1.462 20 30 BDEDHN C[C@@H](C#N)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000344238750 354187274 /nfs/dbraw/zinc/18/72/74/354187274.db2.gz POWGXAMIYKHXTK-SDDRHHMPSA-N 0 3 237.347 1.477 20 30 BDEDHN C=CCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000121521451 358485178 /nfs/dbraw/zinc/48/51/78/358485178.db2.gz YVIUTHRCFLXPAJ-UHFFFAOYSA-N 0 3 236.359 1.897 20 30 BDEDHN N#Cc1cc(N2CC[C@@H](N3CC=CC3)C2)ccn1 ZINC000286016977 181090405 /nfs/dbraw/zinc/09/04/05/181090405.db2.gz AFDIPAOBTVKCAY-CQSZACIVSA-N 0 3 240.310 1.404 20 30 BDEDHN N#Cc1cc(N[C@H]2CN3CCC2CC3)ccn1 ZINC000061811615 181091554 /nfs/dbraw/zinc/09/15/54/181091554.db2.gz OWQSMQSILWBNBY-ZDUSSCGKSA-N 0 3 228.299 1.459 20 30 BDEDHN C=CCCCNC(=O)[C@H]1CCCN1CCC ZINC000344477752 354268719 /nfs/dbraw/zinc/26/87/19/354268719.db2.gz CBMULPMCUYIMCY-GFCCVEGCSA-N 0 3 224.348 1.943 20 30 BDEDHN C[C@H](C(=O)NCCCC#N)N1CCCCCC1 ZINC000332011257 134003505 /nfs/dbraw/zinc/00/35/05/134003505.db2.gz PQOMRRZWJLPXHJ-GFCCVEGCSA-N 0 3 237.347 1.671 20 30 BDEDHN N#Cc1ccc(CNCCc2cn[nH]c2)c(F)c1 ZINC000353237755 181107796 /nfs/dbraw/zinc/10/77/96/181107796.db2.gz FXHUJGBAPCALOA-UHFFFAOYSA-N 0 3 244.273 1.753 20 30 BDEDHN N#Cc1ccc(CNCCc2nccs2)o1 ZINC000135483904 181107810 /nfs/dbraw/zinc/10/78/10/181107810.db2.gz IRGMJGLIDOSMPY-UHFFFAOYSA-N 0 3 233.296 1.940 20 30 BDEDHN N#Cc1ccc(CNC[C@@]2(O)CCSC2)o1 ZINC000165143922 181107865 /nfs/dbraw/zinc/10/78/65/181107865.db2.gz DFAAFWAARPUBLD-NSHDSACASA-N 0 3 238.312 1.109 20 30 BDEDHN N#Cc1ccc(CNC[C@@H]2CCOC2)c(F)c1 ZINC000038094095 181108337 /nfs/dbraw/zinc/10/83/37/181108337.db2.gz VBOABUMHEGFQOV-NSHDSACASA-N 0 3 234.274 1.823 20 30 BDEDHN N#Cc1ccc(CNCCN2CCC2)s1 ZINC000308856302 181108690 /nfs/dbraw/zinc/10/86/90/181108690.db2.gz PAUZNRAHKOUZIK-UHFFFAOYSA-N 0 3 221.329 1.415 20 30 BDEDHN N#Cc1ccc(CNC[C@H]2CCOC2)c(F)c1 ZINC000038094096 181109037 /nfs/dbraw/zinc/10/90/37/181109037.db2.gz VBOABUMHEGFQOV-LLVKDONJSA-N 0 3 234.274 1.823 20 30 BDEDHN N#Cc1ccc(CNC2(CC(N)=O)CCC2)s1 ZINC000354933008 181106383 /nfs/dbraw/zinc/10/63/83/181106383.db2.gz UEBKBXAGODMYJX-UHFFFAOYSA-N 0 3 249.339 1.507 20 30 BDEDHN N#Cc1ccc(NCCN2CCCCC2)nn1 ZINC000301943290 181121747 /nfs/dbraw/zinc/12/17/47/181121747.db2.gz VZLNDECLPHFROW-UHFFFAOYSA-N 0 3 231.303 1.246 20 30 BDEDHN CC[C@H](C(=O)N[C@H](C)CC#N)N(CC)CC ZINC000345000164 354391577 /nfs/dbraw/zinc/39/15/77/354391577.db2.gz JETIATNYLPRASF-GHMZBOCLSA-N 0 3 225.336 1.525 20 30 BDEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC3)C2)nn1 ZINC000302015322 181116440 /nfs/dbraw/zinc/11/64/40/181116440.db2.gz YCARUVFHUXJJTN-GFCCVEGCSA-N 0 3 243.314 1.023 20 30 BDEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC000334745137 354468629 /nfs/dbraw/zinc/46/86/29/354468629.db2.gz RIGTVZVVCHNVTR-QWRGUYRKSA-N 0 3 223.320 1.087 20 30 BDEDHN CCOC1CC2(C1)CCN(C(=O)C(C)C#N)C2 ZINC000334747556 354472543 /nfs/dbraw/zinc/47/25/43/354472543.db2.gz YOIVJICKWRKDEE-ZBOXLXRLSA-N 0 3 236.315 1.564 20 30 BDEDHN N#Cc1cccc(CN[C@H]2CCN(C3CC3)C2)c1 ZINC000044684053 181138305 /nfs/dbraw/zinc/13/83/05/181138305.db2.gz MBIVYBOPVZRSCB-AWEZNQCLSA-N 0 3 241.338 1.885 20 30 BDEDHN CO[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000334738089 354541472 /nfs/dbraw/zinc/54/14/72/354541472.db2.gz GHNCKYHCTPSASU-BXUZGUMPSA-N 0 3 247.342 1.754 20 30 BDEDHN N#Cc1cccc(CNC[C@H]2CCCO2)c1 ZINC000019963457 181137786 /nfs/dbraw/zinc/13/77/86/181137786.db2.gz QWFQQPQHNQLKKJ-CYBMUJFWSA-N 0 3 216.284 1.827 20 30 BDEDHN CC(C)N1CC[C@H](N(C)C(=O)C(C)(C)C#N)C1 ZINC000334753326 354575138 /nfs/dbraw/zinc/57/51/38/354575138.db2.gz SQWOCVVPMLVNII-NSHDSACASA-N 0 3 237.347 1.477 20 30 BDEDHN N#Cc1cccc(NCCN2CCCC2)n1 ZINC000081596078 181141359 /nfs/dbraw/zinc/14/13/59/181141359.db2.gz KYOOIPJMQAJCRZ-UHFFFAOYSA-N 0 3 216.288 1.461 20 30 BDEDHN N#Cc1cccc(OCCN2CCC[C@@H]2CO)c1 ZINC000042432827 181143056 /nfs/dbraw/zinc/14/30/56/181143056.db2.gz NAOKOUINYPTUIW-CYBMUJFWSA-N 0 3 246.310 1.394 20 30 BDEDHN CN1C[C@@H]2CCCN(C(=O)CC(C)(C)C#N)[C@@H]2C1 ZINC000335101419 354711803 /nfs/dbraw/zinc/71/18/03/354711803.db2.gz YTIZESQQFJMUKY-NWDGAFQWSA-N 0 3 249.358 1.479 20 30 BDEDHN CC(C#N)C(=O)NCCCNc1cccc(F)c1 ZINC000345694531 354733718 /nfs/dbraw/zinc/73/37/18/354733718.db2.gz LOGFKTVZKAZZTL-JTQLQIEISA-N 0 3 249.289 1.904 20 30 BDEDHN CCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345770278 354757455 /nfs/dbraw/zinc/75/74/55/354757455.db2.gz KRIXVUOFQKATFJ-NSHDSACASA-N 0 3 237.347 1.669 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(CC#N)cc1 ZINC000346130241 354869952 /nfs/dbraw/zinc/86/99/52/354869952.db2.gz GVIRXWVYQHHMLT-NSHDSACASA-N 0 3 245.326 1.433 20 30 BDEDHN C=CC[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000346170061 354873860 /nfs/dbraw/zinc/87/38/60/354873860.db2.gz BZBPBCZUFMFKBN-QJPTWQEYSA-N 0 3 224.348 1.940 20 30 BDEDHN C=CCn1cccc1C(=O)N[C@H](C)CN(C)C ZINC000346232105 354874847 /nfs/dbraw/zinc/87/48/47/354874847.db2.gz VCAHGKIXPNOYTC-LLVKDONJSA-N 0 3 235.331 1.354 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000335143934 354850173 /nfs/dbraw/zinc/85/01/73/354850173.db2.gz SFKFRGGMTCBGFA-LDYMZIIASA-N 0 3 230.267 1.655 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1CCc2c1cccc2O ZINC000335143932 354850432 /nfs/dbraw/zinc/85/04/32/354850432.db2.gz SFKFRGGMTCBGFA-KCJUWKMLSA-N 0 3 230.267 1.655 20 30 BDEDHN C=C(C)[C@H](CC(=O)N[C@@H](C)CN(C)C)OCC ZINC000346264612 354884907 /nfs/dbraw/zinc/88/49/07/354884907.db2.gz NYZLUAHSQHGEAU-RYUDHWBXSA-N 0 3 242.363 1.424 20 30 BDEDHN CC[C@H](C)[C@@](C)(O)CNC(=O)C(C)C#N ZINC000346271283 354886715 /nfs/dbraw/zinc/88/67/15/354886715.db2.gz YACBEXMXTLOQRK-YWVKMMECSA-N 0 3 212.293 1.059 20 30 BDEDHN CC(C#N)C(=O)NC[C@@](C)(CO)c1ccccc1 ZINC000346330439 354898214 /nfs/dbraw/zinc/89/82/14/354898214.db2.gz HFTLSCRDAALHQR-FZMZJTMJSA-N 0 3 246.310 1.212 20 30 BDEDHN CC(C#N)C(=O)NC[C@](C)(CO)c1ccccc1 ZINC000346330443 354898421 /nfs/dbraw/zinc/89/84/21/354898421.db2.gz HFTLSCRDAALHQR-SMDDNHRTSA-N 0 3 246.310 1.212 20 30 BDEDHN CC(C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346254666 354880721 /nfs/dbraw/zinc/88/07/21/354880721.db2.gz WLSUGNYHUFSNSC-NSHDSACASA-N 0 3 237.347 1.525 20 30 BDEDHN COC(=O)[C@H](CNC(=O)C(C)C#N)CC(C)C ZINC000346423301 354925157 /nfs/dbraw/zinc/92/51/57/354925157.db2.gz BHSOEEOMIGBTMC-ZJUUUORDSA-N 0 3 240.303 1.098 20 30 BDEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccncc1 ZINC000346495840 354960405 /nfs/dbraw/zinc/96/04/05/354960405.db2.gz SXTZOSSFSZEAJQ-MWLCHTKSSA-N 0 3 217.272 1.809 20 30 BDEDHN CC(C#N)C(=O)N1CCCc2occc2C1 ZINC000335192188 355025331 /nfs/dbraw/zinc/02/53/31/355025331.db2.gz IEZUXBOJUSTPHR-SECBINFHSA-N 0 3 218.256 1.714 20 30 BDEDHN C[C@@H]1[C@H](CO)CCCN1CC1(C#N)CCC1 ZINC000335181961 355079513 /nfs/dbraw/zinc/07/95/13/355079513.db2.gz XMMQNJLSPDVJLQ-NEPJUHHUSA-N 0 3 222.332 1.773 20 30 BDEDHN C=CCCC1(C(=O)N[C@H]2CCN(CC)C2)CC1 ZINC000412881762 191323818 /nfs/dbraw/zinc/32/38/18/191323818.db2.gz TWCFKMCKBCXJHE-LBPRGKRZSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(C)CCN1CCNC(=O)[C@H]1C(C)C ZINC000352003249 134034112 /nfs/dbraw/zinc/03/41/12/134034112.db2.gz KPYXZJKVVTULMQ-LLVKDONJSA-N 0 3 210.321 1.409 20 30 BDEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CC)C1 ZINC000412886285 191326040 /nfs/dbraw/zinc/32/60/40/191326040.db2.gz ZXGQZIDCADLKMQ-WCQYABFASA-N 0 3 224.348 1.799 20 30 BDEDHN C=CCCCN(C)C(=O)CN(CC)CC ZINC000346966042 355173121 /nfs/dbraw/zinc/17/31/21/355173121.db2.gz WFGPUQFMGHTONW-UHFFFAOYSA-N 0 3 212.337 1.753 20 30 BDEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CO ZINC000190887109 358494289 /nfs/dbraw/zinc/49/42/89/358494289.db2.gz APYLOQGQKHDRCC-MFKMUULPSA-N 0 3 248.301 1.758 20 30 BDEDHN C=CCCC[C@H](C)N1C[C@H](CO)O[C@@H](C)C1 ZINC000347003921 355201745 /nfs/dbraw/zinc/20/17/45/355201745.db2.gz ACQIBPOQOPCCJX-RWMBFGLXSA-N 0 3 227.348 1.813 20 30 BDEDHN C=CCC[C@H](O)CN1CCN(C)CC1(C)C ZINC000347587100 355247234 /nfs/dbraw/zinc/24/72/34/355247234.db2.gz IPTWULAMRBYPSL-LBPRGKRZSA-N 0 3 226.364 1.340 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC000335282144 355272920 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369806686 /nfs/dbraw/zinc/80/66/86/369806686.db2.gz FPCVYTWWRYMZSP-CYBMUJFWSA-N 0 3 233.315 1.450 20 30 BDEDHN C[C@@H](NCc1cccc(C#N)n1)C(C)(C)O ZINC000602526396 369807022 /nfs/dbraw/zinc/80/70/22/369807022.db2.gz KOBHWOQHHQILGR-SECBINFHSA-N 0 3 219.288 1.202 20 30 BDEDHN CC[C@H](C)[C@@](C)(O)CNCc1cccc(C#N)n1 ZINC000602544656 369811146 /nfs/dbraw/zinc/81/11/46/369811146.db2.gz JCCZNNBOFDCDCN-FZMZJTMJSA-N 0 3 247.342 1.840 20 30 BDEDHN CC[C@@H](C[C@@H](C)CO)NCc1cccc(C#N)n1 ZINC000602556386 369812140 /nfs/dbraw/zinc/81/21/40/369812140.db2.gz FGNJIUBXWVMPIE-NEPJUHHUSA-N 0 3 247.342 1.840 20 30 BDEDHN CC1CC(NCc2cccc(C#N)n2)C1 ZINC000602573767 369816289 /nfs/dbraw/zinc/81/62/89/369816289.db2.gz UFLMVDXJKMXGCQ-UHFFFAOYSA-N 0 3 201.273 1.841 20 30 BDEDHN CS[C@H](C)CNCc1cccc(C#N)n1 ZINC000602572885 369816506 /nfs/dbraw/zinc/81/65/06/369816506.db2.gz UMPYLMAKBKIIKC-SECBINFHSA-N 0 3 221.329 1.794 20 30 BDEDHN N#Cc1cccc(CNCCN2CCCC2)n1 ZINC000602587692 369819009 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OKIAMAGBOIORIL-SNVBAGLBSA-N 0 3 212.337 1.657 20 30 BDEDHN C=CC(C)(C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000891268984 582649980 /nfs/dbraw/zinc/64/99/80/582649980.db2.gz CSPDWOROVMZTPF-QWRGUYRKSA-N 0 3 224.348 1.940 20 30 BDEDHN C=C1CCC(C(=O)C(C#N)C(=O)NC)CC1 ZINC000892518434 582905459 /nfs/dbraw/zinc/90/54/59/582905459.db2.gz SQSOLLQZWIOXRJ-SNVBAGLBSA-N 0 3 220.272 1.188 20 30 BDEDHN C=CCOCCNCc1ccnn1CC ZINC000393774763 582923834 /nfs/dbraw/zinc/92/38/34/582923834.db2.gz ZXHKUBBZZMBFQP-UHFFFAOYSA-N 0 3 209.293 1.195 20 30 BDEDHN C=C[C@H](CO)NC(=O)CN(C)CCCCCC ZINC000856274957 588866314 /nfs/dbraw/zinc/86/63/14/588866314.db2.gz LGOOEQNVEMEZHF-GFCCVEGCSA-N 0 3 242.363 1.162 20 30 BDEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000852276908 583012140 /nfs/dbraw/zinc/01/21/40/583012140.db2.gz GAYMPMHZMSASNN-VXGBXAGGSA-N 0 3 237.347 1.182 20 30 BDEDHN C=C1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000893046466 583036223 /nfs/dbraw/zinc/03/62/23/583036223.db2.gz CGLWMKDIAZWVEQ-VIFPVBQESA-N 0 3 227.260 1.941 20 30 BDEDHN C#C[C@@H](NC1Cc2ccccc2C1)[C@H]1CCCO1 ZINC000775575153 583094653 /nfs/dbraw/zinc/09/46/53/583094653.db2.gz UZPQTXORSYTEIZ-HZPDHXFCSA-N 0 3 241.334 1.924 20 30 BDEDHN C[C@H]1CCN(CCNCC#Cc2ccccc2)C1 ZINC000893354320 583120649 /nfs/dbraw/zinc/12/06/49/583120649.db2.gz IPLSTEBLVIRZSY-HNNXBMFYSA-N 0 3 242.366 1.970 20 30 BDEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)cc(N)n1 ZINC000893660491 583189421 /nfs/dbraw/zinc/18/94/21/583189421.db2.gz ZPUAHVRADFLIOK-JQWIXIFHSA-N 0 3 248.330 1.760 20 30 BDEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)cc(N)n1 ZINC000893660493 583189973 /nfs/dbraw/zinc/18/99/73/583189973.db2.gz ZPUAHVRADFLIOK-ZYHUDNBSSA-N 0 3 248.330 1.760 20 30 BDEDHN Cc1cc(C#N)cc(N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000893933833 583251739 /nfs/dbraw/zinc/25/17/39/583251739.db2.gz DDUYQWBNSXKNTG-STQMWFEESA-N 0 3 242.326 1.402 20 30 BDEDHN CN1C[C@H]2CCN(c3ncc(C#N)cc3F)[C@H]2C1 ZINC000893934989 583252597 /nfs/dbraw/zinc/25/25/97/583252597.db2.gz MIDOQSCXEDYSBM-PWSUYJOCSA-N 0 3 246.289 1.233 20 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C=CCOCCNCc1c(C)ccnc1N ZINC000894432038 583457532 /nfs/dbraw/zinc/45/75/32/583457532.db2.gz UHBQRESHKXSOCH-UHFFFAOYSA-N 0 3 221.304 1.264 20 30 BDEDHN C#CC[C@@H](CCOC)Nc1nc(C)cc(N)n1 ZINC000894829697 583527227 /nfs/dbraw/zinc/52/72/27/583527227.db2.gz DEUFIWMGDPKHFP-JTQLQIEISA-N 0 3 234.303 1.208 20 30 BDEDHN CC(C)(CC#N)CN[C@H]1CCCS(=O)(=O)C1 ZINC000894856777 583532696 /nfs/dbraw/zinc/53/26/96/583532696.db2.gz XGZBMCPRONEHMA-JTQLQIEISA-N 0 3 244.360 1.093 20 30 BDEDHN CC(C)(CC#N)CNC1CC(S(C)(=O)=O)C1 ZINC000894856757 583532715 /nfs/dbraw/zinc/53/27/15/583532715.db2.gz WYCCFMWMHLXCIP-UHFFFAOYSA-N 0 3 244.360 1.091 20 30 BDEDHN C#CCOc1ccc(CNC[C@@H]2COCO2)cc1 ZINC000894873139 583540295 /nfs/dbraw/zinc/54/02/95/583540295.db2.gz NOVDIDDDXSPKLQ-CQSZACIVSA-N 0 3 247.294 1.161 20 30 BDEDHN Cc1cc(C#N)cc(C)c1CNC[C@H]1COCO1 ZINC000894887735 583546735 /nfs/dbraw/zinc/54/67/35/583546735.db2.gz IJZVJDXTUKGEOU-ZDUSSCGKSA-N 0 3 246.310 1.638 20 30 BDEDHN CC#CC[C@@H](CO)NCc1cn(C)nc1C1CC1 ZINC000895132603 583601225 /nfs/dbraw/zinc/60/12/25/583601225.db2.gz VXPBIACLVZRRBX-ZDUSSCGKSA-N 0 3 247.342 1.161 20 30 BDEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCN1[O-] ZINC000895157776 583607765 /nfs/dbraw/zinc/60/77/65/583607765.db2.gz SUEJMNQWFQPQQA-VPOLOUISSA-N 0 3 224.304 1.145 20 30 BDEDHN CC(C)C1(C[NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895157693 583607898 /nfs/dbraw/zinc/60/78/98/583607898.db2.gz RXYUJLRWECKUIT-SNVBAGLBSA-N 0 3 226.320 1.392 20 30 BDEDHN C#C[C@H](N[C@H]1CCCc2cn[nH]c21)[C@@H]1CCCO1 ZINC000857866712 588915995 /nfs/dbraw/zinc/91/59/95/588915995.db2.gz TZJAWUYYYZJLNF-AVGNSLFASA-N 0 3 245.326 1.558 20 30 BDEDHN CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158881 583608423 /nfs/dbraw/zinc/60/84/23/583608423.db2.gz PWOMHSQBBOWHCB-HBNTYKKESA-N 0 3 226.320 1.391 20 30 BDEDHN CCC(CC)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160414 583609580 /nfs/dbraw/zinc/60/95/80/583609580.db2.gz MWYCVIGETYXXIQ-SECBINFHSA-N 0 3 200.282 1.145 20 30 BDEDHN CCCC[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160697 583609702 /nfs/dbraw/zinc/60/97/02/583609702.db2.gz OPCJPXZTYHZXER-VHSXEESVSA-N 0 3 214.309 1.535 20 30 BDEDHN CCC[C@H](C)C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161037 583609852 /nfs/dbraw/zinc/60/98/52/583609852.db2.gz DBOFKZBSHMFTKR-UWVGGRQHSA-N 0 3 214.309 1.392 20 30 BDEDHN C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C[C@H]1C ZINC000895161351 583609997 /nfs/dbraw/zinc/60/99/97/583609997.db2.gz RFUUWGLJNNPGNA-WYUUTHIRSA-N 0 3 240.347 1.781 20 30 BDEDHN CC(C)[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161964 583610328 /nfs/dbraw/zinc/61/03/28/583610328.db2.gz IVOPRWPIFYWCAL-BDAKNGLRSA-N 0 3 200.282 1.001 20 30 BDEDHN C[C@@H](CC1CC1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161896 583610360 /nfs/dbraw/zinc/61/03/60/583610360.db2.gz VHOYKTPPIJIEFP-WPRPVWTQSA-N 0 3 212.293 1.145 20 30 BDEDHN CC1(C)CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895161719 583610475 /nfs/dbraw/zinc/61/04/75/583610475.db2.gz TWHQFRLIGIAWNT-WDEREUQCSA-N 0 3 240.347 1.925 20 30 BDEDHN CCN1CC[C@@H]1CNc1ccc(C#N)cc1CO ZINC000895162039 583610770 /nfs/dbraw/zinc/61/07/70/583610770.db2.gz URPWHGUMEDGERD-CYBMUJFWSA-N 0 3 245.326 1.557 20 30 BDEDHN C[C@H](NC1CCC(C#N)CC1)C1N=NC(=O)N1C ZINC000895171889 583612516 /nfs/dbraw/zinc/61/25/16/583612516.db2.gz LOLONXDOSFLKLN-IDKOKCKLSA-N 0 3 249.318 1.254 20 30 BDEDHN CCCC(Cc1ccccc1)N=NC(=N)N ZINC000727252178 583624924 /nfs/dbraw/zinc/62/49/24/583624924.db2.gz SKEKSJBSQYGHLK-UHFFFAOYSA-N 0 3 218.304 1.868 20 30 BDEDHN C=C(CC)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000895254393 583633611 /nfs/dbraw/zinc/63/36/11/583633611.db2.gz FHEKTFSVBBTAOF-LBPRGKRZSA-N 0 3 239.363 1.594 20 30 BDEDHN C=CCOCCCNCc1cn(CC)nc1C ZINC000895376430 583661692 /nfs/dbraw/zinc/66/16/92/583661692.db2.gz CKBBRNBKYTWHDB-UHFFFAOYSA-N 0 3 237.347 1.894 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ocnc1C ZINC000895414585 583667628 /nfs/dbraw/zinc/66/76/28/583667628.db2.gz DKMFYUGGJKPNCM-LLVKDONJSA-N 0 3 222.288 1.501 20 30 BDEDHN C[C@@H](O)C1(NCC#Cc2ccccc2)CC1 ZINC000895441732 583675009 /nfs/dbraw/zinc/67/50/09/583675009.db2.gz FOICNRRIVFMIMJ-GFCCVEGCSA-N 0 3 215.296 1.541 20 30 BDEDHN C=C[C@H](C)ONC(=O)NCCN1CC[C@H](C)C1 ZINC000895579162 583694856 /nfs/dbraw/zinc/69/48/56/583694856.db2.gz ZBZGRYOPBLLQDB-QWRGUYRKSA-N 0 3 241.335 1.134 20 30 BDEDHN COC[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1 ZINC000895622282 583697734 /nfs/dbraw/zinc/69/77/34/583697734.db2.gz DBFTWLQNZJLLMX-GSJFWJNXSA-N 0 3 231.299 1.468 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1ccc(OC)cn1 ZINC000895668543 583705728 /nfs/dbraw/zinc/70/57/28/583705728.db2.gz LZNXHGFPHGTUBW-LBPRGKRZSA-N 0 3 248.326 1.608 20 30 BDEDHN C#CCC1(O)CCN(Cc2ccoc2C)CC1 ZINC000895669378 583706237 /nfs/dbraw/zinc/70/62/37/583706237.db2.gz BEDGBVRIWOOMCE-UHFFFAOYSA-N 0 3 233.311 1.938 20 30 BDEDHN C#CCC1(O)CCN(Cc2ccn(C)c2)CC1 ZINC000895669640 583706448 /nfs/dbraw/zinc/70/64/48/583706448.db2.gz IEEGZIQDPGJWHD-UHFFFAOYSA-N 0 3 232.327 1.375 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1cccc(C#N)n1 ZINC000895713937 583711112 /nfs/dbraw/zinc/71/11/12/583711112.db2.gz WXSVMQALKFJKLH-ZDUSSCGKSA-N 0 3 231.299 1.370 20 30 BDEDHN Cc1cc(C#N)nc(N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000895733920 583717556 /nfs/dbraw/zinc/71/75/56/583717556.db2.gz HRUDUUYCOPZTBL-CMPLNLGQSA-N 0 3 230.315 1.766 20 30 BDEDHN Cc1ccc(C#N)nc1N[C@@H]1CCN(C)[C@H]1C ZINC000895737714 583718460 /nfs/dbraw/zinc/71/84/60/583718460.db2.gz WZKMEBWWPSTVRK-CMPLNLGQSA-N 0 3 230.315 1.766 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(CC(C)C)nc1 ZINC000895962749 583751816 /nfs/dbraw/zinc/75/18/16/583751816.db2.gz CVCFEYIXRIPNSX-HNNXBMFYSA-N 0 3 246.354 1.754 20 30 BDEDHN CCO[C@@H](CNc1ccc(C#N)cn1)CN(C)C ZINC000896114093 583772336 /nfs/dbraw/zinc/77/23/36/583772336.db2.gz WPAMPFCLEPABOI-LBPRGKRZSA-N 0 3 248.330 1.332 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1ccc(COC)o1 ZINC000883400613 583795822 /nfs/dbraw/zinc/79/58/22/583795822.db2.gz QYEKKECZYVZQCL-LLVKDONJSA-N 0 3 239.315 1.843 20 30 BDEDHN C=C1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000896615239 583818042 /nfs/dbraw/zinc/81/80/42/583818042.db2.gz AGFJEDBHYIEAIA-NWDGAFQWSA-N 0 3 237.347 1.441 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnc(F)c1 ZINC000858172865 588937399 /nfs/dbraw/zinc/93/73/99/588937399.db2.gz JHUADLQCWIRXQL-MNOVXSKESA-N 0 3 222.263 1.654 20 30 BDEDHN CC1(C)CCN(CCNc2cc(C#N)cnn2)C1 ZINC000897247985 583902924 /nfs/dbraw/zinc/90/29/24/583902924.db2.gz ICRJXUQTFYRLIV-UHFFFAOYSA-N 0 3 245.330 1.492 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccco1 ZINC000858332431 588946177 /nfs/dbraw/zinc/94/61/77/588946177.db2.gz VTRRKHSKSROUDX-LLVKDONJSA-N 0 3 207.273 1.798 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccnc(F)c1 ZINC000858333989 588946393 /nfs/dbraw/zinc/94/63/93/588946393.db2.gz FMAHCCHXLHQMCF-GFCCVEGCSA-N 0 3 236.290 1.739 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccnn1CCC ZINC000858334485 588946529 /nfs/dbraw/zinc/94/65/29/588946529.db2.gz NXARTKQKNVMRIP-CYBMUJFWSA-N 0 3 249.358 1.811 20 30 BDEDHN C#CC[C@H](COC)NCc1cncc(OCC)c1 ZINC000858334726 588946550 /nfs/dbraw/zinc/94/65/50/588946550.db2.gz 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C[C@H](CCCO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902837358 584679711 /nfs/dbraw/zinc/67/97/11/584679711.db2.gz WHROWPLPIRNQMW-GHMZBOCLSA-N 0 3 233.315 1.765 20 30 BDEDHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1cc(C#N)ccn1 ZINC000902887154 584689053 /nfs/dbraw/zinc/68/90/53/584689053.db2.gz ZHRDLYDUKLSICA-RAIGVLPGSA-N 0 3 245.326 1.907 20 30 BDEDHN C/C=C\C[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902957503 584705583 /nfs/dbraw/zinc/70/55/83/584705583.db2.gz JELUCSAANPRTBT-BOYPOZMQSA-N 0 3 245.326 1.931 20 30 BDEDHN C#CCCOC(=O)N[C@@H](C)CN1CCCCC1 ZINC000859121088 589005527 /nfs/dbraw/zinc/00/55/27/589005527.db2.gz RYFLDVPJMAWRPM-LBPRGKRZSA-N 0 3 238.331 1.610 20 30 BDEDHN C[C@H](NCC1(CCO)CC1)c1cc(C#N)ccn1 ZINC000902964188 584707200 /nfs/dbraw/zinc/70/72/00/584707200.db2.gz KIOHQTISNHTNIB-NSHDSACASA-N 0 3 245.326 1.766 20 30 BDEDHN C=C[C@H](CO)N[C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000903056702 584722285 /nfs/dbraw/zinc/72/22/85/584722285.db2.gz RJJFBRSAFZOJMB-FPMFFAJLSA-N 0 3 247.338 1.763 20 30 BDEDHN 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C=CC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735409127 584976840 /nfs/dbraw/zinc/97/68/40/584976840.db2.gz BVIBJBNURMPUMX-SNVBAGLBSA-N 0 3 243.314 1.921 20 30 BDEDHN C=CC[C@@H](NC(=O)C(C)C#N)c1ccncc1 ZINC000736680245 585009733 /nfs/dbraw/zinc/00/97/33/585009733.db2.gz DPVBHZSOHYSVBV-CMPLNLGQSA-N 0 3 229.283 1.975 20 30 BDEDHN C#CCCCC(=O)NCCN1CCC(C)(C)C1 ZINC000890071860 585021739 /nfs/dbraw/zinc/02/17/39/585021739.db2.gz DPCVDLMZTAHFEV-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1C[C@]1(C)C(C)C ZINC000838038367 585042909 /nfs/dbraw/zinc/04/29/09/585042909.db2.gz ZOYOINFZLZEHSG-WCQYABFASA-N 0 3 224.348 1.655 20 30 BDEDHN C=CCONC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000838707149 585065573 /nfs/dbraw/zinc/06/55/73/585065573.db2.gz BUZPCVDEJISVEE-LLVKDONJSA-N 0 3 241.335 1.087 20 30 BDEDHN C#Cc1ccc(CN2CC(CCO)C2)cc1 ZINC000839136359 585094664 /nfs/dbraw/zinc/09/46/64/585094664.db2.gz ODJYGUWMQNPJDM-UHFFFAOYSA-N 0 3 215.296 1.482 20 30 BDEDHN 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/nfs/dbraw/zinc/27/35/18/585273518.db2.gz QZGNZLAIRSZSBP-ZJUUUORDSA-N 0 3 239.388 1.262 20 30 BDEDHN C#CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000754000353 585274851 /nfs/dbraw/zinc/27/48/51/585274851.db2.gz OUQCIRLZUDHSDS-GFCCVEGCSA-N 0 3 220.316 1.097 20 30 BDEDHN C#CC(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000754023574 585275525 /nfs/dbraw/zinc/27/55/25/585275525.db2.gz FGMKPDBMBGALOI-ZDUSSCGKSA-N 0 3 234.343 1.434 20 30 BDEDHN C=C1CCN(CCC2OCCCO2)CC1 ZINC000754654312 585289000 /nfs/dbraw/zinc/28/90/00/585289000.db2.gz FWFQQFAEVWBFDS-UHFFFAOYSA-N 0 3 211.305 1.792 20 30 BDEDHN CCC[C@H]1CCCCN1CC(=O)NCCC#N ZINC000755249878 585296855 /nfs/dbraw/zinc/29/68/55/585296855.db2.gz VNXQOAQHHLTCCY-LBPRGKRZSA-N 0 3 237.347 1.671 20 30 BDEDHN N#Cc1ccccc1CN[C@H](CCO)C1CC1 ZINC000756030695 585313373 /nfs/dbraw/zinc/31/33/73/585313373.db2.gz UBLRXZKIMROHGI-CQSZACIVSA-N 0 3 230.311 1.809 20 30 BDEDHN C=C[C@@H](C)NC(=S)NC[C@@H]1CCCN1CC ZINC000756796009 585323436 /nfs/dbraw/zinc/32/34/36/585323436.db2.gz 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BDEDHN Cc1[nH]ncc1CN=Nc1ncc(F)cn1 ZINC000760255689 585387711 /nfs/dbraw/zinc/38/77/11/585387711.db2.gz XWMNFXNYNKTWFY-UHFFFAOYSA-N 0 3 220.211 1.093 20 30 BDEDHN C=CCCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760341113 585390744 /nfs/dbraw/zinc/39/07/44/585390744.db2.gz QLHDHVWLKIJTJA-GHMZBOCLSA-N 0 3 245.282 1.634 20 30 BDEDHN C#CCCN1CCC(C(=O)N2CCCC2)CC1 ZINC000760807910 585397539 /nfs/dbraw/zinc/39/75/39/585397539.db2.gz LQWMYTHSBJRMDB-UHFFFAOYSA-N 0 3 234.343 1.344 20 30 BDEDHN C#CCCN1CCC(C(=O)N(C)C(C)C)CC1 ZINC000760814858 585397814 /nfs/dbraw/zinc/39/78/14/585397814.db2.gz HQXIHMDDYAZYIA-UHFFFAOYSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCCN1CCN(CCOC(C)C)CC1 ZINC000760842810 585399146 /nfs/dbraw/zinc/39/91/46/585399146.db2.gz KHBJKFCTDOOGLK-UHFFFAOYSA-N 0 3 224.348 1.052 20 30 BDEDHN CN(C)C1(C(=O)N2CCC(C#N)CC2)CCC1 ZINC000763028541 585441759 /nfs/dbraw/zinc/44/17/59/585441759.db2.gz GVRAOMFLCXBGJU-UHFFFAOYSA-N 0 3 235.331 1.233 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1CCCCC1 ZINC000763895342 585456427 /nfs/dbraw/zinc/45/64/27/585456427.db2.gz LTOOEFBDHSLPOF-UHFFFAOYSA-N 0 3 210.321 1.553 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC[C@@H]1C ZINC000763918021 585456980 /nfs/dbraw/zinc/45/69/80/585456980.db2.gz GVFSKUXEAJCCQL-NSHDSACASA-N 0 3 210.321 1.505 20 30 BDEDHN C#CCN(CCCc1cnn(C)c1)C1CC1 ZINC000763949580 585457588 /nfs/dbraw/zinc/45/75/88/585457588.db2.gz MXRXNXGZUGHHSF-UHFFFAOYSA-N 0 3 217.316 1.450 20 30 BDEDHN C=C(CN(C)C)C(=O)NOCc1ccccc1 ZINC000764129744 585460784 /nfs/dbraw/zinc/46/07/84/585460784.db2.gz RCRQWGNFLNZUJD-UHFFFAOYSA-N 0 3 234.299 1.352 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000764168682 585460939 /nfs/dbraw/zinc/46/09/39/585460939.db2.gz DCNQPFIUKWRYQB-CMPLNLGQSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccccc1COC ZINC000764290497 585463492 /nfs/dbraw/zinc/46/34/92/585463492.db2.gz UOAKCTANAXRMKA-UHFFFAOYSA-N 0 3 248.326 1.889 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1nnc(CC)s1 ZINC000764416936 585465012 /nfs/dbraw/zinc/46/50/12/585465012.db2.gz JTKHNKIPRFLOAC-UHFFFAOYSA-N 0 3 240.332 1.157 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000764584161 585468418 /nfs/dbraw/zinc/46/84/18/585468418.db2.gz CJSQVKIHLNXXIL-ZDUSSCGKSA-N 0 3 238.375 1.999 20 30 BDEDHN C#CCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765207145 585482608 /nfs/dbraw/zinc/48/26/08/585482608.db2.gz WTKVJXCDPPLQKV-AWEZNQCLSA-N 0 3 248.370 1.923 20 30 BDEDHN C#CCCCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000766895112 585509341 /nfs/dbraw/zinc/50/93/41/585509341.db2.gz ISPSFDKNMIEDLP-CYBMUJFWSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000766896381 585509809 /nfs/dbraw/zinc/50/98/09/585509809.db2.gz NFEMIXCPMYGGBZ-UHFFFAOYSA-N 0 3 244.338 1.928 20 30 BDEDHN C#CCCCN1CCCN(CC(F)(F)F)CC1 ZINC000766896072 585509873 /nfs/dbraw/zinc/50/98/73/585509873.db2.gz WJMLRIXGGRVSPF-UHFFFAOYSA-N 0 3 248.292 1.970 20 30 BDEDHN C#CCCCN1CCc2c(ncn2C)C1 ZINC000766901003 585510400 /nfs/dbraw/zinc/51/04/00/585510400.db2.gz RLDNALRSQACMAA-UHFFFAOYSA-N 0 3 203.289 1.192 20 30 BDEDHN C#CCCCN1CCS[C@H]2COCC[C@H]21 ZINC000766906440 585511265 /nfs/dbraw/zinc/51/12/65/585511265.db2.gz QKKBSBZSBFOGPA-NEPJUHHUSA-N 0 3 225.357 1.606 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000767085364 585513675 /nfs/dbraw/zinc/51/36/75/585513675.db2.gz HOZWAYQPPAUWID-RYUDHWBXSA-N 0 3 236.359 1.635 20 30 BDEDHN CC1(C#N)CCN(CCC2OCCO2)CC1 ZINC000767817975 585526575 /nfs/dbraw/zinc/52/65/75/585526575.db2.gz OAKVCGLQINHPIS-UHFFFAOYSA-N 0 3 224.304 1.375 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H]1[C@H](C)CCC ZINC000767909015 585528011 /nfs/dbraw/zinc/52/80/11/585528011.db2.gz YAUAMDBRWGTMRI-CHWSQXEVSA-N 0 3 236.359 1.636 20 30 BDEDHN N=C(N)N=NC1CC[C@H]1c1ccccc1 ZINC000769774295 585563397 /nfs/dbraw/zinc/56/33/97/585563397.db2.gz IQCBWMWFPBEEHJ-VIFPVBQESA-N 0 3 202.261 1.403 20 30 BDEDHN C#CCNC(=O)CN(CC1CCC1)C(C)C ZINC000769923917 585566675 /nfs/dbraw/zinc/56/66/75/585566675.db2.gz ADCIDBZKDVKEQS-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN CCN(CC)CCOC(=O)c1ccc(C#N)cn1 ZINC000772107008 585608559 /nfs/dbraw/zinc/60/85/59/585608559.db2.gz SXDCJUQVLCXXQQ-UHFFFAOYSA-N 0 3 247.298 1.452 20 30 BDEDHN C=CCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773552740 585640480 /nfs/dbraw/zinc/64/04/80/585640480.db2.gz RNBLNCIGYLSDGS-UHFFFAOYSA-N 0 3 212.293 1.095 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCCO1 ZINC000774365005 585656923 /nfs/dbraw/zinc/65/69/23/585656923.db2.gz VZPFTBKUJRQFSE-MQYQWHSLSA-N 0 3 232.327 1.839 20 30 BDEDHN COCC#CCN[C@H](C)c1cc(OC)ccc1O ZINC000775371803 585676769 /nfs/dbraw/zinc/67/67/69/585676769.db2.gz UCYGJHLEBWGXQR-LLVKDONJSA-N 0 3 249.310 1.701 20 30 BDEDHN C#C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCCO1 ZINC000775573004 585680560 /nfs/dbraw/zinc/68/05/60/585680560.db2.gz VWWXJOSYNDIHCR-BEAPCOKYSA-N 0 3 248.370 1.240 20 30 BDEDHN C#C[C@H](NCCCc1ccncc1)[C@H]1CCCO1 ZINC000775794224 585685396 /nfs/dbraw/zinc/68/53/96/585685396.db2.gz YLKDONGVHTVVHH-LSDHHAIUSA-N 0 3 244.338 1.785 20 30 BDEDHN CN(C)c1ccncc1CN=Nc1ncccn1 ZINC000776185819 585692232 /nfs/dbraw/zinc/69/22/32/585692232.db2.gz MWRPYLNLEXZLOR-UHFFFAOYSA-N 0 3 242.286 1.384 20 30 BDEDHN COCCON=Cc1cnccc1N(C)C ZINC000776187928 585692531 /nfs/dbraw/zinc/69/25/31/585692531.db2.gz PQOJTJBDHGKVTD-UHFFFAOYSA-N 0 3 223.276 1.145 20 30 BDEDHN C=CCCC[C@@H](C)NC(=S)NCCN(C)C ZINC000776204539 585692831 /nfs/dbraw/zinc/69/28/31/585692831.db2.gz VFPRYKQGSQAPTC-LLVKDONJSA-N 0 3 243.420 1.757 20 30 BDEDHN C=CCNC(=O)CN[C@@H]1CCc2cc(C)ccc21 ZINC000777316769 585710272 /nfs/dbraw/zinc/71/02/72/585710272.db2.gz TVOYWHUACKLBIX-CQSZACIVSA-N 0 3 244.338 1.874 20 30 BDEDHN C=C(C)CN(C)C(=S)NC1CCN(C)CC1 ZINC000777918837 585723682 /nfs/dbraw/zinc/72/36/82/585723682.db2.gz NQSALEXKLCJOQX-UHFFFAOYSA-N 0 3 241.404 1.463 20 30 BDEDHN C#CCCCN(CC)C[C@@H](O)C(F)(F)F ZINC000778204622 585727703 /nfs/dbraw/zinc/72/77/03/585727703.db2.gz WBQRCUKDAXOKCF-SECBINFHSA-N 0 3 223.238 1.645 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](F)Cc1ccccc1 ZINC000778295891 585730589 /nfs/dbraw/zinc/73/05/89/585730589.db2.gz XOEKXMMJSXHPEM-WDEREUQCSA-N 0 3 248.257 1.022 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778295889 585730611 /nfs/dbraw/zinc/73/06/11/585730611.db2.gz XOEKXMMJSXHPEM-MNOVXSKESA-N 0 3 248.257 1.022 20 30 BDEDHN CC(=NNC1=NC[C@H](C)N1)c1cccs1 ZINC000779790895 585763920 /nfs/dbraw/zinc/76/39/20/585763920.db2.gz CHCXKUHJWCHGQY-ZETCQYMHSA-N 0 3 222.317 1.409 20 30 BDEDHN c1cc(N=NC2CCN3CCC[C@H]23)ccn1 ZINC000779809166 585765535 /nfs/dbraw/zinc/76/55/35/585765535.db2.gz FXZUHGVQIXEGCQ-GFCCVEGCSA-N 0 3 216.288 1.140 20 30 BDEDHN C[C@H]1CC(N=Nc2ccncc2)CN1C1CC1 ZINC000779809834 585766175 /nfs/dbraw/zinc/76/61/75/585766175.db2.gz VTHQMSPWGLWTGB-JTQLQIEISA-N 0 3 230.315 1.528 20 30 BDEDHN C[C@H]1CC(=NN[C@@H]2CCCOC2)CCN1C ZINC000780250929 585775032 /nfs/dbraw/zinc/77/50/32/585775032.db2.gz LYQHDWCUISAMPS-CMPLNLGQSA-N 0 3 225.336 1.225 20 30 BDEDHN Nc1ncccc1C=[NH+][N-]c1ncncc1Cl ZINC000780280837 585776624 /nfs/dbraw/zinc/77/66/24/585776624.db2.gz UZFYSUNEIPXGQU-UHFFFAOYSA-N 0 3 248.677 1.553 20 30 BDEDHN C=C[C@H]1CCCCN1C(=S)NCCN(C)C ZINC000782410494 585817657 /nfs/dbraw/zinc/81/76/57/585817657.db2.gz WYTCYQYKMQSSES-NSHDSACASA-N 0 3 241.404 1.463 20 30 BDEDHN Cn1cc(C=NNC(=N)N)c(C2CCCCC2)n1 ZINC000783824933 585844264 /nfs/dbraw/zinc/84/42/64/585844264.db2.gz ULAIKUJIUDQIDJ-UHFFFAOYSA-N 0 3 248.334 1.285 20 30 BDEDHN C#CCCCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000784074612 585848616 /nfs/dbraw/zinc/84/86/16/585848616.db2.gz XRNNWKKYBDPHLP-CYBMUJFWSA-N 0 3 248.301 1.225 20 30 BDEDHN N#Cc1cc(C(=O)OCCN2CCCCC2)c[nH]1 ZINC000786907382 585898423 /nfs/dbraw/zinc/89/84/23/585898423.db2.gz KUUOTEMBQDIXRU-UHFFFAOYSA-N 0 3 247.298 1.529 20 30 BDEDHN C#CCCN1CCN(CCC(C)(C)OC)CC1 ZINC000787272741 585904159 /nfs/dbraw/zinc/90/41/59/585904159.db2.gz VSFWUFGJWGLCHN-UHFFFAOYSA-N 0 3 238.375 1.442 20 30 BDEDHN COc1ccc2c(c1)C(C)(C)CC2=NNC(=N)N ZINC000788708641 585929425 /nfs/dbraw/zinc/92/94/25/585929425.db2.gz BPUIICFLDKCVCV-UHFFFAOYSA-N 0 3 246.314 1.564 20 30 BDEDHN Cc1ccncc1C=N[N-]c1[nH+]ccn1C ZINC000794540887 586042891 /nfs/dbraw/zinc/04/28/91/586042891.db2.gz FWWRNYOKWSTPCM-UHFFFAOYSA-N 0 3 215.260 1.570 20 30 BDEDHN C[C@H]1CC(=NNCCC(F)(F)F)CCN1C ZINC000794547159 586043489 /nfs/dbraw/zinc/04/34/89/586043489.db2.gz ZOFPVTYRENJCOU-QMMMGPOBSA-N 0 3 237.269 1.999 20 30 BDEDHN C[C@@H]1CNC(NN=C2CCC[C@@H]2CCF)=N1 ZINC000794927549 586056044 /nfs/dbraw/zinc/05/60/44/586056044.db2.gz NSRQITKAHNQWQX-RKDXNWHRSA-N 0 3 226.299 1.439 20 30 BDEDHN C#CCCCN1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000796559262 586106788 /nfs/dbraw/zinc/10/67/88/586106788.db2.gz SDROHPNFUKSPLX-KGLIPLIRSA-N 0 3 237.343 1.670 20 30 BDEDHN C#CCCN[C@H](CC(=O)NC)c1ccccc1 ZINC000796609977 586108694 /nfs/dbraw/zinc/10/86/94/586108694.db2.gz CLVRBAFKCPXHQQ-CYBMUJFWSA-N 0 3 230.311 1.477 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796800411 586113203 /nfs/dbraw/zinc/11/32/03/586113203.db2.gz UFXOZFCHPNTZAU-SNVBAGLBSA-N 0 3 234.299 1.434 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1(CC)CCC1 ZINC000798298408 586142351 /nfs/dbraw/zinc/14/23/51/586142351.db2.gz DTNNKPBVVOXMQW-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN C=CCCCCCN(C)[C@H]1CCC(=O)NC1=O ZINC000799124780 586159991 /nfs/dbraw/zinc/15/99/91/586159991.db2.gz QBJGAQSPDAVEEZ-NSHDSACASA-N 0 3 238.331 1.470 20 30 BDEDHN CC(C#N)C(=O)N[C@H](CCO)Cc1ccccc1 ZINC000799800262 586196927 /nfs/dbraw/zinc/19/69/27/586196927.db2.gz MRMMQKGPNWUKAX-DGCLKSJQSA-N 0 3 246.310 1.256 20 30 BDEDHN CC#CC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000801111731 586242616 /nfs/dbraw/zinc/24/26/16/586242616.db2.gz CWHIAXVYXOHRAJ-CQSZACIVSA-N 0 3 244.338 1.299 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@@H](n2ccnc2)C1 ZINC000801918559 586276703 /nfs/dbraw/zinc/27/67/03/586276703.db2.gz RCMVIXCADZWDMX-CHWSQXEVSA-N 0 3 248.330 1.449 20 30 BDEDHN C[C@H](C#N)OCCN1CCC(n2cccn2)CC1 ZINC000801919943 586277238 /nfs/dbraw/zinc/27/72/38/586277238.db2.gz KOLQKRUKURAPJI-GFCCVEGCSA-N 0 3 248.330 1.449 20 30 BDEDHN COC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1 ZINC000801937599 586279168 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587627525 /nfs/dbraw/zinc/62/75/25/587627525.db2.gz XHXBPANDKHNORO-MCIONIFRSA-N 0 3 233.311 1.653 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1(CC)CCCC1 ZINC000834304516 587750877 /nfs/dbraw/zinc/75/08/77/587750877.db2.gz YVMWCVMUOAHITP-UHFFFAOYSA-N 0 3 224.348 1.943 20 30 BDEDHN C#C[C@H](N[C@H](C)Cc1cnccn1)[C@H]1CCCO1 ZINC000834770129 587766556 /nfs/dbraw/zinc/76/65/56/587766556.db2.gz SUPRFYSVALHFEJ-KWCYVHTRSA-N 0 3 245.326 1.178 20 30 BDEDHN C[C@@H]1CCC(=NNC(=N)N)c2sccc21 ZINC000834938940 587771966 /nfs/dbraw/zinc/77/19/66/587771966.db2.gz PBQWHUGOSOHOOU-ZCFIWIBFSA-N 0 3 222.317 1.833 20 30 BDEDHN CCCNN=C1CCc2cc(N)ccc21 ZINC000834941386 587772182 /nfs/dbraw/zinc/77/21/82/587772182.db2.gz PFDHPMPKUBPJTQ-UHFFFAOYSA-N 0 3 203.289 1.919 20 30 BDEDHN CCN(CC)CC#C[C@@H](C)OC(=O)C(C)C ZINC000121449405 587835628 /nfs/dbraw/zinc/83/56/28/587835628.db2.gz UBLVIWDUFFZCMN-GFCCVEGCSA-N 0 3 225.332 1.919 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cc(C)cs1 ZINC000836826040 587839232 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230.258 1.646 20 30 BDEDHN C=C(C)CONC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000845598117 588234932 /nfs/dbraw/zinc/23/49/32/588234932.db2.gz NDJPOMVBGYRRLL-MNOVXSKESA-N 0 3 241.335 1.276 20 30 BDEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)C(C)C ZINC000845627518 588237935 /nfs/dbraw/zinc/23/79/35/588237935.db2.gz RCSUTODCHDRXAY-LLVKDONJSA-N 0 3 243.351 1.474 20 30 BDEDHN C=CC[C@@H]1CC[C@@H](NCc2cnn(C)n2)C1 ZINC000845970432 588252462 /nfs/dbraw/zinc/25/24/62/588252462.db2.gz OCJLETVEBUNYCX-GHMZBOCLSA-N 0 3 220.320 1.650 20 30 BDEDHN CN(C)C1(C(=O)NCC2(C#N)CCCC2)CCC1 ZINC000846342998 588264657 /nfs/dbraw/zinc/26/46/57/588264657.db2.gz FFLFVKLSIAUZJH-UHFFFAOYSA-N 0 3 249.358 1.671 20 30 BDEDHN C=C(C)CONC(=O)c1cccc(CN(C)C)c1 ZINC000846537040 588271919 /nfs/dbraw/zinc/27/19/19/588271919.db2.gz GOMXXOCSVAGPHL-UHFFFAOYSA-N 0 3 248.326 1.986 20 30 BDEDHN C=C[C@@H](C)ONC(=O)c1ccc(CN(C)C)cc1 ZINC000846551514 588275672 /nfs/dbraw/zinc/27/56/72/588275672.db2.gz TWEZOQNZCZFDPD-LLVKDONJSA-N 0 3 248.326 1.984 20 30 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BDEDHN C#C[C@H](NC[C@@H](OC)C1CCC1)[C@@H]1CCCO1 ZINC000851950337 588646966 /nfs/dbraw/zinc/64/69/66/588646966.db2.gz NRZIJKPTUHHJHD-MELADBBJSA-N 0 3 237.343 1.572 20 30 BDEDHN CC#CCN(C)CC[C@@H]1COC(C)(C)O1 ZINC000852093634 588661332 /nfs/dbraw/zinc/66/13/32/588661332.db2.gz BLEDFCCCCSSHEY-LLVKDONJSA-N 0 3 211.305 1.483 20 30 BDEDHN C#C[C@@](C)(CC)N[C@H]1CCCN(C(C)C)C1=O ZINC000852101915 588663011 /nfs/dbraw/zinc/66/30/11/588663011.db2.gz IIJBVIUVVRZDRR-JSGCOSHPSA-N 0 3 236.359 1.777 20 30 BDEDHN C#C[C@](C)(CC)NC[C@H](O)c1ccc(F)cn1 ZINC000852103662 588663693 /nfs/dbraw/zinc/66/36/93/588663693.db2.gz NWUKUFZYZHUVGE-QWHCGFSZSA-N 0 3 236.290 1.646 20 30 BDEDHN C#CCOCCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000852171259 588669307 /nfs/dbraw/zinc/66/93/07/588669307.db2.gz CGTXPPHGBSSWIJ-GJZGRUSLSA-N 0 3 245.322 1.444 20 30 BDEDHN N#C[C@@H]1CC[C@H](N2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852295279 588676824 /nfs/dbraw/zinc/67/68/24/588676824.db2.gz CSNOAVVOSLSMQT-PWSUYJOCSA-N 0 3 245.326 1.548 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N2CCC3=C(CCC(=O)N3)C2)C1 ZINC000852295281 588676900 /nfs/dbraw/zinc/67/69/00/588676900.db2.gz CSNOAVVOSLSMQT-ZYHUDNBSSA-N 0 3 245.326 1.548 20 30 BDEDHN N#CC[C@H]1CCCN(C[C@H](O)C2CC2)C1 ZINC000852321263 588678371 /nfs/dbraw/zinc/67/83/71/588678371.db2.gz STYXRVNTRQWGBN-PWSUYJOCSA-N 0 3 208.305 1.383 20 30 BDEDHN C=C(Cl)CN[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000852350777 588679373 /nfs/dbraw/zinc/67/93/73/588679373.db2.gz YZLHXLIZZFASHI-SDDRHHMPSA-N 0 3 247.766 1.895 20 30 BDEDHN C[C@H](C#N)N(CCN1CCCC1)C1CC1 ZINC000852480964 588684242 /nfs/dbraw/zinc/68/42/42/588684242.db2.gz YBLNONIPGXFVDP-LLVKDONJSA-N 0 3 207.321 1.459 20 30 BDEDHN C#CCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000852565609 588690798 /nfs/dbraw/zinc/69/07/98/588690798.db2.gz PFFDJPUAZXQHQP-UHFFFAOYSA-N 0 3 240.306 1.787 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(N(C)CC)cc1 ZINC000852714570 588697540 /nfs/dbraw/zinc/69/75/40/588697540.db2.gz VHBZYDIHZATOEC-CYBMUJFWSA-N 0 3 234.343 1.779 20 30 BDEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NCCC#N ZINC000852712857 588697562 /nfs/dbraw/zinc/69/75/62/588697562.db2.gz XXZSALAKXPJHKN-NWDGAFQWSA-N 0 3 237.347 1.669 20 30 BDEDHN C#CCCN(CCOC)CCN1CCCCC1 ZINC000852748821 588699652 /nfs/dbraw/zinc/69/96/52/588699652.db2.gz HLEFMFAXNRQNPS-UHFFFAOYSA-N 0 3 238.375 1.444 20 30 BDEDHN C#CCCN(CCOC)C[C@H]1CCCO1 ZINC000852753033 588699975 /nfs/dbraw/zinc/69/99/75/588699975.db2.gz UNUFFOIYKWHVBX-GFCCVEGCSA-N 0 3 211.305 1.137 20 30 BDEDHN CCC#C[C@H](C)N1CCC(NC(=O)OC)CC1 ZINC000852767029 588700828 /nfs/dbraw/zinc/70/08/28/588700828.db2.gz NERDDGUWZDMUFM-NSHDSACASA-N 0 3 238.331 1.609 20 30 BDEDHN C=CC[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000852847288 588707939 /nfs/dbraw/zinc/70/79/39/588707939.db2.gz LXKUGHHUBJZAEQ-WCQYABFASA-N 0 3 240.322 1.503 20 30 BDEDHN C[C@H](NC1CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000852863011 588709261 /nfs/dbraw/zinc/70/92/61/588709261.db2.gz OYVNDSWVBBEJCB-NSHDSACASA-N 0 3 249.358 1.717 20 30 BDEDHN CCCCCCCNC(=O)N1CCCNCC1 ZINC000861655403 589173360 /nfs/dbraw/zinc/17/33/60/589173360.db2.gz MEHZXJLUIOKEKR-UHFFFAOYSA-N 0 3 241.379 1.962 20 30 BDEDHN COC[C@@H](CNC(=O)C(C)C#N)C(C)C ZINC000885809235 589197316 /nfs/dbraw/zinc/19/73/16/589197316.db2.gz YRUYFCWECRNCGJ-NXEZZACHSA-N 0 3 212.293 1.181 20 30 BDEDHN C#C[C@@H](C)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862363364 589204006 /nfs/dbraw/zinc/20/40/06/589204006.db2.gz NVFHAFDSRMJRJH-SECBINFHSA-N 0 3 248.326 1.920 20 30 BDEDHN CC#CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863033190 589252794 /nfs/dbraw/zinc/25/27/94/589252794.db2.gz SVDBVLBWKYGYKN-LBPRGKRZSA-N 0 3 220.316 1.143 20 30 BDEDHN CC(=NNC1=N[C@H](C)CN1)C1CC(F)(F)C1 ZINC000863104671 589256480 /nfs/dbraw/zinc/25/64/80/589256480.db2.gz DBJSPXLGZNHKJP-ZCFIWIBFSA-N 0 3 230.262 1.345 20 30 BDEDHN CC(C)(O)CNN=C1CCc2cc(N)ccc21 ZINC000863136666 589261622 /nfs/dbraw/zinc/26/16/22/589261622.db2.gz JSYOQQCOVGMODB-UHFFFAOYSA-N 0 3 233.315 1.280 20 30 BDEDHN CCCn1cc(C=NNc2ccnc(C)c2)cn1 ZINC000863159148 589264266 /nfs/dbraw/zinc/26/42/66/589264266.db2.gz FRVSPGRTLWEBIF-UHFFFAOYSA-N 0 3 243.314 1.864 20 30 BDEDHN Cc1nc(C=NNc2ccnc(C)c2)[nH]c1C ZINC000863160839 589265060 /nfs/dbraw/zinc/26/50/60/589265060.db2.gz SHRUQWVFNHNGPD-UHFFFAOYSA-N 0 3 229.287 1.598 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1ccns1 ZINC000863611996 589304478 /nfs/dbraw/zinc/30/44/78/589304478.db2.gz CKKGALYMZVZEQT-SECBINFHSA-N 0 3 239.344 1.438 20 30 BDEDHN CN(C(=O)C12CCN(CC1)C2)[C@H]1CCC[C@@H]1C#N ZINC000864078440 589340864 /nfs/dbraw/zinc/34/08/64/589340864.db2.gz NTDCYECXNOSBCQ-NEPJUHHUSA-N 0 3 247.342 1.233 20 30 BDEDHN CN(C)c1ccc(C#N)cc1CNCCCO ZINC000865397357 589432010 /nfs/dbraw/zinc/43/20/10/589432010.db2.gz GDUQFSSOMSCLAB-UHFFFAOYSA-N 0 3 233.315 1.096 20 30 BDEDHN C#CCCCNCc1cn(C2CC2)cn1 ZINC000865478296 589439586 /nfs/dbraw/zinc/43/95/86/589439586.db2.gz YXJAKKWVGUDZQY-UHFFFAOYSA-N 0 3 203.289 1.721 20 30 BDEDHN C=CC[C@@H](CO)NCc1cnc(Cl)c(F)c1 ZINC000865527334 589442927 /nfs/dbraw/zinc/44/29/27/589442927.db2.gz 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MVJTVPQYTJPDLP-LLVKDONJSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(Br)CNC(=O)C(C)C#N ZINC000123655865 589762713 /nfs/dbraw/zinc/76/27/13/589762713.db2.gz KTSNPWFBMHHRRN-YFKPBYRVSA-N 0 3 217.066 1.171 20 30 BDEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCC[C@@H]2F)CC1 ZINC000872218394 589895679 /nfs/dbraw/zinc/89/56/79/589895679.db2.gz JDGKXLHITIGDEC-GRYCIOLGSA-N 0 3 240.322 1.911 20 30 BDEDHN CC1(C)CC[C@@H](O)[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000872218790 589895788 /nfs/dbraw/zinc/89/57/88/589895788.db2.gz NUBDWXLHMGPBJZ-JHJVBQTASA-N 0 3 249.358 1.959 20 30 BDEDHN CNc1ccccc1C=NN(C)CCOC ZINC000872372893 589923896 /nfs/dbraw/zinc/92/38/96/589923896.db2.gz RBFBHMIJUYSIPG-UHFFFAOYSA-N 0 3 221.304 1.640 20 30 BDEDHN CCNc1ccccc1C=NNC[C@@H](O)CC ZINC000872375360 589925560 /nfs/dbraw/zinc/92/55/60/589925560.db2.gz ZZLARRJOLRXMGA-LBPRGKRZSA-N 0 3 235.331 1.813 20 30 BDEDHN C#CCNN=Cc1ccccc1NCC ZINC000872379605 589927157 /nfs/dbraw/zinc/92/71/57/589927157.db2.gz DSVZKDYXJIAMTB-UHFFFAOYSA-N 0 3 201.273 1.675 20 30 BDEDHN CCNc1ccccc1C=NN(CC)CCO ZINC000872384494 589928836 /nfs/dbraw/zinc/92/88/36/589928836.db2.gz JIMKGELIXKZJPY-UHFFFAOYSA-N 0 3 235.331 1.767 20 30 BDEDHN CCCCSCCC(=O)C(C#N)C(=O)NC ZINC000124119445 589943433 /nfs/dbraw/zinc/94/34/33/589943433.db2.gz GHNNXXLBQJMMOX-VIFPVBQESA-N 0 3 242.344 1.365 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2cc[nH]n2)CC1 ZINC000873198519 589992205 /nfs/dbraw/zinc/99/22/05/589992205.db2.gz ODOFCDCNDWTACD-XYPYZODXSA-N 0 3 203.289 1.691 20 30 BDEDHN C#C[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC000873198632 589993220 /nfs/dbraw/zinc/99/32/20/589993220.db2.gz SKKYTQIHFJMLHR-HAQNSBGRSA-N 0 3 217.316 1.702 20 30 BDEDHN C=CC(C)(C)CCCNC(=O)C(C)(C)N ZINC000873298288 590025005 /nfs/dbraw/zinc/02/50/05/590025005.db2.gz HIVCPJXPDUZFLM-UHFFFAOYSA-N 0 3 212.337 1.832 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1nccnc1C ZINC000874657304 590121304 /nfs/dbraw/zinc/12/13/04/590121304.db2.gz BXDYZKAGMFRCCT-NSHDSACASA-N 0 3 248.330 1.080 20 30 BDEDHN CC(C)(C)C#CC(=O)NC[C@@H](N)c1ccccc1 ZINC000876524161 590207707 /nfs/dbraw/zinc/20/77/07/590207707.db2.gz KQVRBNDJQIHGOS-CYBMUJFWSA-N 0 3 244.338 1.852 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](N)CC(=C)Cl ZINC000876546200 590213527 /nfs/dbraw/zinc/21/35/27/590213527.db2.gz FKIABICMDSGGLI-SNVBAGLBSA-N 0 3 228.723 1.657 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)C1 ZINC000876545546 590213740 /nfs/dbraw/zinc/21/37/40/590213740.db2.gz IWVMKJCEYSYXGW-SCZZXKLOSA-N 0 3 230.739 1.715 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(CC)c1 ZINC000876598422 590220156 /nfs/dbraw/zinc/22/01/56/590220156.db2.gz XJGKFXDLPRMFKW-SECBINFHSA-N 0 3 242.710 1.311 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@@H]1CC ZINC000876606150 590221318 /nfs/dbraw/zinc/22/13/18/590221318.db2.gz WBAJKGQUMVLQCB-VHSXEESVSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C)C1 ZINC000876618024 590222631 /nfs/dbraw/zinc/22/26/31/590222631.db2.gz JJCLWPHNDGBBPJ-IONNQARKSA-N 0 3 216.712 1.325 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC1(C)C 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590253328 /nfs/dbraw/zinc/25/33/28/590253328.db2.gz XPJLDXWQCHHPSE-ZJUUUORDSA-N 0 3 246.738 1.142 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C=CCC1 ZINC000876960620 590261551 /nfs/dbraw/zinc/26/15/51/590261551.db2.gz IPEQGCNOYOQLNL-DTWKUNHWSA-N 0 3 214.696 1.291 20 30 BDEDHN CCCCCCCNC(=O)[C@]1(F)CCNC1 ZINC000876988113 590265816 /nfs/dbraw/zinc/26/58/16/590265816.db2.gz VGXPXZDHENORJR-LBPRGKRZSA-N 0 3 230.327 1.775 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1COC ZINC000877034630 590271745 /nfs/dbraw/zinc/27/17/45/590271745.db2.gz LYTJYJFZXOOFPN-ZJUUUORDSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C(F)F)CC1 ZINC000877080034 590279717 /nfs/dbraw/zinc/27/97/17/590279717.db2.gz NNCSKLNXPVEMFL-ZCFIWIBFSA-N 0 3 238.665 1.370 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(F)CC1 ZINC000877203609 590300493 /nfs/dbraw/zinc/30/04/93/590300493.db2.gz HXWYTBBHQJXMSP-SECBINFHSA-N 0 3 248.729 1.807 20 30 BDEDHN CC[C@@H](N)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000877270184 590304765 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/nfs/dbraw/zinc/12/84/54/201128454.db2.gz XBQQCIBGRUXXSD-UHFFFAOYSA-N 0 3 237.347 1.923 20 30 BDEDHN C=CCN(C)CCN(CC)CCn1cccn1 ZINC000429717869 201129189 /nfs/dbraw/zinc/12/91/89/201129189.db2.gz MFBPSSDSFNXBMV-UHFFFAOYSA-N 0 3 236.363 1.323 20 30 BDEDHN CC(C)[C@@H](O)CN1CCC(F)(C#N)CC1 ZINC000433191380 201165622 /nfs/dbraw/zinc/16/56/22/201165622.db2.gz UUXCUYSPTSJONI-JTQLQIEISA-N 0 3 214.284 1.331 20 30 BDEDHN CC(C#N)C(=O)NCC1(CCO)CCCCC1 ZINC000433977922 201200519 /nfs/dbraw/zinc/20/05/19/201200519.db2.gz XKWANGFUNUITQV-NSHDSACASA-N 0 3 238.331 1.595 20 30 BDEDHN CC#CCCN(C)[C@@H](C)CN1CCOCC1 ZINC000434701520 201233186 /nfs/dbraw/zinc/23/31/86/201233186.db2.gz FNQDRZSRNWTCKS-ZDUSSCGKSA-N 0 3 224.348 1.052 20 30 BDEDHN C=CC[C@H](CO)CNCc1ccc(OC)nc1 ZINC000436407183 201325508 /nfs/dbraw/zinc/32/55/08/201325508.db2.gz HKDPMTISDJPRRJ-LBPRGKRZSA-N 0 3 236.315 1.364 20 30 BDEDHN C[C@H](NC[C@@H]1CCC(=O)N1)c1cccc(C#N)c1 ZINC000079926940 370704697 /nfs/dbraw/zinc/70/46/97/370704697.db2.gz NTVYKFUCAZWMGU-GWCFXTLKSA-N 0 3 243.310 1.487 20 30 BDEDHN C=C1CC(C)(C(=O)NC2CCN(CC)CC2)C1 ZINC000630573315 364271185 /nfs/dbraw/zinc/27/11/85/364271185.db2.gz CZSUBLGOORLEKL-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN N#CCCCN1CCN(c2ccncc2)CC1 ZINC000161329054 364692654 /nfs/dbraw/zinc/69/26/54/364692654.db2.gz AXIPCSOQIYNXIB-UHFFFAOYSA-N 0 3 230.315 1.507 20 30 BDEDHN C=CC[C@@H](CO)NCc1cc(OC)ns1 ZINC000399063752 364762522 /nfs/dbraw/zinc/76/25/22/364762522.db2.gz PLTNIJOHNAHNMR-QMMMGPOBSA-N 0 3 228.317 1.178 20 30 BDEDHN C#CCN(C)CCCNc1cc(C)nc(CC)n1 ZINC000292856687 364774337 /nfs/dbraw/zinc/77/43/37/364774337.db2.gz RSXJQECCTQRRIN-UHFFFAOYSA-N 0 3 246.358 1.714 20 30 BDEDHN C#CCN(C)CCCN[C@H](C)c1nccs1 ZINC000295070490 364778463 /nfs/dbraw/zinc/77/84/63/364778463.db2.gz RZWRCZTTXMDTIF-LLVKDONJSA-N 0 3 237.372 1.749 20 30 BDEDHN C#CCN[C@H]1CCCCC[C@H]1C(=O)OC ZINC000295728390 364781103 /nfs/dbraw/zinc/78/11/03/364781103.db2.gz VTQBRSDLDMEDLA-MNOVXSKESA-N 0 3 209.289 1.331 20 30 BDEDHN C=CCCCCN(C)CC(=O)NC(C)C ZINC000573435447 364831133 /nfs/dbraw/zinc/83/11/33/364831133.db2.gz VVSJHDIBCYVRBP-UHFFFAOYSA-N 0 3 212.337 1.799 20 30 BDEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@H](O)C1 ZINC000442905333 193003867 /nfs/dbraw/zinc/00/38/67/193003867.db2.gz VTVIRCLFRODODK-JTNHKYCSSA-N 0 3 230.311 1.932 20 30 BDEDHN Cc1noc(C)c1[C@H](C)NC(=O)C(C)C#N ZINC000080695132 370806958 /nfs/dbraw/zinc/80/69/58/370806958.db2.gz YFVQXBDVROJFEH-BQBZGAKWSA-N 0 3 221.260 1.628 20 30 BDEDHN Cc1cc(CN[C@@H]2C=C[C@H](CO)C2)ccc1C#N ZINC000444003969 193033599 /nfs/dbraw/zinc/03/35/99/193033599.db2.gz PHCIIFGUEUHGHA-DZGCQCFKSA-N 0 3 242.322 1.893 20 30 BDEDHN CCC[C@]1(CO)CCCN1C(=O)C(C)C#N ZINC000444543965 193050657 /nfs/dbraw/zinc/05/06/57/193050657.db2.gz JURDGGPNGIUKEE-CMPLNLGQSA-N 0 3 224.304 1.300 20 30 BDEDHN CC#CCCNCc1ccc([S@](C)=O)cc1 ZINC000336695741 365359800 /nfs/dbraw/zinc/35/98/00/365359800.db2.gz YKQSANOUGKILPF-INIZCTEOSA-N 0 3 235.352 1.927 20 30 BDEDHN CC(=O)N1CCN(CCCCC#N)C(C)(C)C1 ZINC000182196322 366874858 /nfs/dbraw/zinc/87/48/58/366874858.db2.gz PHLNZKYWSBBETR-UHFFFAOYSA-N 0 3 237.347 1.623 20 30 BDEDHN C=CCOCCN1CCS[C@H](C)C1 ZINC000338962100 365427523 /nfs/dbraw/zinc/42/75/23/365427523.db2.gz CXZHKIVQPUMQAK-SNVBAGLBSA-N 0 3 201.335 1.626 20 30 BDEDHN CC(C#N)C(=O)N1CCC(CCCO)CC1 ZINC000360867825 366931954 /nfs/dbraw/zinc/93/19/54/366931954.db2.gz SSRORRHCXMXFNL-SNVBAGLBSA-N 0 3 224.304 1.157 20 30 BDEDHN C=CCCCCN1CCc2nnc(N)cc2C1 ZINC000579673843 366959571 /nfs/dbraw/zinc/95/95/71/366959571.db2.gz JOMPGMYLTTWIDM-UHFFFAOYSA-N 0 3 232.331 1.604 20 30 BDEDHN C#CCN[C@@H]1c2ccccc2CC[C@@H]1CO ZINC000365221744 367056461 /nfs/dbraw/zinc/05/64/61/367056461.db2.gz ODNJLJQKOCUJPJ-OCCSQVGLSA-N 0 3 215.296 1.505 20 30 BDEDHN COC[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000081063885 370847300 /nfs/dbraw/zinc/84/73/00/370847300.db2.gz DBMDUHRUEJIVPR-LBPRGKRZSA-N 0 3 231.299 1.422 20 30 BDEDHN CO[C@H](C)CCNC[C@H](C#N)CCC#N ZINC000581006959 367232663 /nfs/dbraw/zinc/23/26/63/367232663.db2.gz YIIGHSXNFZGTTL-MNOVXSKESA-N 0 3 209.293 1.445 20 30 BDEDHN C[C@@H](CCC#N)N1CC[C@H](c2nccn2C)C1 ZINC000581436833 367471440 /nfs/dbraw/zinc/47/14/40/367471440.db2.gz CAFJWOIYWUHZEE-RYUDHWBXSA-N 0 3 232.331 1.902 20 30 BDEDHN C=C1CCN(C(=O)[C@@H](N)[C@@H](C)CC)CC1 ZINC000382550812 367537220 /nfs/dbraw/zinc/53/72/20/367537220.db2.gz UMOVNQYYBXLQKV-QWRGUYRKSA-N 0 3 210.321 1.538 20 30 BDEDHN C=C1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000382581632 367545569 /nfs/dbraw/zinc/54/55/69/367545569.db2.gz MSWCCSYXNZBLTQ-VXGBXAGGSA-N 0 3 222.332 1.553 20 30 BDEDHN C[C@H]1CN(CCOCCC#N)C[C@H](C)S1 ZINC000385268722 367814558 /nfs/dbraw/zinc/81/45/58/367814558.db2.gz WXBNCPXDUYYJGD-QWRGUYRKSA-N 0 3 228.361 1.742 20 30 BDEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCCC2)C1 ZINC000630930035 367984853 /nfs/dbraw/zinc/98/48/53/367984853.db2.gz BFOHWDCKHHLOIK-GFCCVEGCSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(C)CN1CCN(CC(=C)C)[C@@H](CCO)C1 ZINC000581981691 368041737 /nfs/dbraw/zinc/04/17/37/368041737.db2.gz HCJLBIZZDYNOBR-AWEZNQCLSA-N 0 3 238.375 1.507 20 30 BDEDHN COC(=O)C1CCN(C[C@H](C)CCC#N)CC1 ZINC000619568684 368092748 /nfs/dbraw/zinc/09/27/48/368092748.db2.gz SPDKEUWQXOHHGR-LLVKDONJSA-N 0 3 238.331 1.811 20 30 BDEDHN CC(C#N)C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456283794 202929426 /nfs/dbraw/zinc/92/94/26/202929426.db2.gz KQNPOPFDALIOTG-ZHAHWJHGSA-N 0 3 218.300 1.793 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000073598520 368810341 /nfs/dbraw/zinc/81/03/41/368810341.db2.gz RKXOOXUYLOSDMI-LLVKDONJSA-N 0 3 208.305 1.000 20 30 BDEDHN CCN1CCC[C@H](Nc2nccnc2C#N)C1 ZINC000054377708 369068850 /nfs/dbraw/zinc/06/88/50/369068850.db2.gz XTRTXXZCQPEVMR-JTQLQIEISA-N 0 3 231.303 1.244 20 30 BDEDHN C=C(C)CN1CCC(NC(=O)c2cocn2)CC1 ZINC000106035075 369077591 /nfs/dbraw/zinc/07/75/91/369077591.db2.gz OSLADXLOXBDLOP-UHFFFAOYSA-N 0 3 249.314 1.445 20 30 BDEDHN CCN1CCCN(c2nccc(C)c2C#N)CC1 ZINC000273357127 369183879 /nfs/dbraw/zinc/18/38/79/369183879.db2.gz QEAGCKWDGDXABU-UHFFFAOYSA-N 0 3 244.342 1.794 20 30 BDEDHN C[C@H](CC(N)=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618807656 369219646 /nfs/dbraw/zinc/21/96/46/369219646.db2.gz VNJTYQFZSSIUHS-NOZJJQNGSA-N 0 3 243.310 1.399 20 30 BDEDHN CC(=O)N1CCCN(C[C@@H](C)CCC#N)CC1 ZINC000618887389 369226617 /nfs/dbraw/zinc/22/66/17/369226617.db2.gz WQVQDLNAGDAZEI-LBPRGKRZSA-N 0 3 237.347 1.480 20 30 BDEDHN C=C(CC)CNC(=O)N(C)CCN1CCCC1 ZINC000459072940 203229996 /nfs/dbraw/zinc/22/99/96/203229996.db2.gz ISSADQFMPSNYSS-UHFFFAOYSA-N 0 3 239.363 1.690 20 30 BDEDHN C=C(C)CCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000459006944 203220136 /nfs/dbraw/zinc/22/01/36/203220136.db2.gz RZPMLUHMEUUXTQ-LBPRGKRZSA-N 0 3 239.363 1.688 20 30 BDEDHN CCO[C@@H]1C[C@@H](NCCCC#N)[C@H]1SC ZINC000459491314 203292068 /nfs/dbraw/zinc/29/20/68/203292068.db2.gz XDOIFYKGECTFLV-GMTAPVOTSA-N 0 3 228.361 1.789 20 30 BDEDHN N#C[C@@H]1CCC[C@H]1NC[C@H]1CNc2ccnn2C1 ZINC000619266292 369309508 /nfs/dbraw/zinc/30/95/08/369309508.db2.gz MTVQJPFSAZKALU-SDDRHHMPSA-N 0 3 245.330 1.207 20 30 BDEDHN CCN1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC000301920163 369384026 /nfs/dbraw/zinc/38/40/26/369384026.db2.gz KNPIXUYYWHPFPE-UHFFFAOYSA-N 0 3 245.330 1.269 20 30 BDEDHN CC[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091395066 369402970 /nfs/dbraw/zinc/40/29/70/369402970.db2.gz COCKBFNXHYMYKJ-QWRGUYRKSA-N 0 3 223.320 1.089 20 30 BDEDHN CC(C#N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000404779270 369436285 /nfs/dbraw/zinc/43/62/85/369436285.db2.gz VIIOJBOSPZHVFA-MRVPVSSYSA-N 0 3 228.242 1.794 20 30 BDEDHN C=CCC[C@H](CC)N[C@@H](CO)c1ccnn1C ZINC000459726561 203341695 /nfs/dbraw/zinc/34/16/95/203341695.db2.gz XXJIPSXDOCNSSQ-RYUDHWBXSA-N 0 3 237.347 1.788 20 30 BDEDHN Cc1c(CNCC(C)(C)CC#N)cnn1C ZINC000459728174 203343586 /nfs/dbraw/zinc/34/35/86/203343586.db2.gz IDOQLQDWSYWIFX-UHFFFAOYSA-N 0 3 220.320 1.758 20 30 BDEDHN C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(C#N)cc1 ZINC000601306373 369620245 /nfs/dbraw/zinc/62/02/45/369620245.db2.gz HOZGNGAQVWNXGR-ZLKJLUDKSA-N 0 3 246.310 1.359 20 30 BDEDHN N#Cc1c(F)cccc1CNC1CCOCC1 ZINC000602005191 369733531 /nfs/dbraw/zinc/73/35/31/369733531.db2.gz NVSZRWQBHBDHTR-UHFFFAOYSA-N 0 3 234.274 1.966 20 30 BDEDHN CO[C@@H](C)CCNCc1cccc(C#N)n1 ZINC000602532580 369808688 /nfs/dbraw/zinc/80/86/88/369808688.db2.gz YRKSDWJTHKEYJO-JTQLQIEISA-N 0 3 219.288 1.468 20 30 BDEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@H](O)C2)n1 ZINC000602554344 369812113 /nfs/dbraw/zinc/81/21/13/369812113.db2.gz GYXCAZWFZOGRLY-RISCZKNCSA-N 0 3 245.326 1.594 20 30 BDEDHN N#Cc1cccc(CNC[C@@H]2CCCC[C@H]2O)n1 ZINC000602553422 369812346 /nfs/dbraw/zinc/81/23/46/369812346.db2.gz UBQORACCMVFFFK-SMDDNHRTSA-N 0 3 245.326 1.594 20 30 BDEDHN CC(C)[C@H](CCO)NCc1cccc(C#N)n1 ZINC000602557660 369812698 /nfs/dbraw/zinc/81/26/98/369812698.db2.gz YVZLAEQRGUEYIH-ZDUSSCGKSA-N 0 3 233.315 1.450 20 30 BDEDHN CC1(CNCc2cccc(C#N)n2)CC1 ZINC000602562525 369813898 /nfs/dbraw/zinc/81/38/98/369813898.db2.gz CKQOKIBPDJDMGF-UHFFFAOYSA-N 0 3 201.273 1.843 20 30 BDEDHN CC(C)(C)C[C@H](CO)NCc1cccc(C#N)n1 ZINC000602574755 369816213 /nfs/dbraw/zinc/81/62/13/369816213.db2.gz MUXNPXCCQMRIDA-CYBMUJFWSA-N 0 3 247.342 1.840 20 30 BDEDHN CC[C@H](CCO)CNCc1cccc(C#N)n1 ZINC000602574066 369816341 /nfs/dbraw/zinc/81/63/41/369816341.db2.gz QLHGUQYLLJFZGR-LLVKDONJSA-N 0 3 233.315 1.451 20 30 BDEDHN C[C@@H](O)C[C@H](C)NCc1cccc(C#N)n1 ZINC000602603124 369826264 /nfs/dbraw/zinc/82/62/64/369826264.db2.gz QIYWVYXCOGIZHF-VHSXEESVSA-N 0 3 219.288 1.202 20 30 BDEDHN C[C@H]1CC[C@@H]1NCc1cccc(C#N)n1 ZINC000602657591 369834891 /nfs/dbraw/zinc/83/48/91/369834891.db2.gz ZQVAIXDUZWPCMF-CABZTGNLSA-N 0 3 201.273 1.841 20 30 BDEDHN N#Cc1cccc(CN2CCN3CCC2CC3)n1 ZINC000602656716 369835327 /nfs/dbraw/zinc/83/53/27/369835327.db2.gz LLSXPZUIAPPFKX-UHFFFAOYSA-N 0 3 242.326 1.233 20 30 BDEDHN CO[C@H](C)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602667199 369838650 /nfs/dbraw/zinc/83/86/50/369838650.db2.gz MYEDCFVRZQGGAU-NXEZZACHSA-N 0 3 219.288 1.466 20 30 BDEDHN COCCCNCc1cccc(C#N)n1 ZINC000602504898 369797837 /nfs/dbraw/zinc/79/78/37/369797837.db2.gz NGEWXJFEVIBCPI-UHFFFAOYSA-N 0 3 205.261 1.079 20 30 BDEDHN N#Cc1cccc(CNCCCn2ccnc2)n1 ZINC000602503559 369798985 /nfs/dbraw/zinc/79/89/85/369798985.db2.gz LKAQOQLAAMRXPJ-UHFFFAOYSA-N 0 3 241.298 1.330 20 30 BDEDHN C[C@H]1SCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602703271 369845961 /nfs/dbraw/zinc/84/59/61/369845961.db2.gz PRIYRAHNLGHGIP-SKDRFNHKSA-N 0 3 233.340 1.937 20 30 BDEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2O)n1 ZINC000602751781 369849416 /nfs/dbraw/zinc/84/94/16/369849416.db2.gz RTXDGUVLHMLAGT-QWHCGFSZSA-N 0 3 231.299 1.346 20 30 BDEDHN N#Cc1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603090757 369883437 /nfs/dbraw/zinc/88/34/37/369883437.db2.gz RSSMGTHGCSSMIS-CHWSQXEVSA-N 0 3 214.268 1.125 20 30 BDEDHN CN(C)CCSc1cccnc1C#N ZINC000130912201 370199106 /nfs/dbraw/zinc/19/91/06/370199106.db2.gz SWNPSEYWFOFUJK-UHFFFAOYSA-N 0 3 207.302 1.607 20 30 BDEDHN COCC#CCN1CC(C)(C)CC[C@H]1CO ZINC000621380892 370323924 /nfs/dbraw/zinc/32/39/24/370323924.db2.gz 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222.288 1.649 20 30 BDEDHN Cc1ncc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(=O)[n-]1 ZINC000442845911 387850237 /nfs/dbraw/zinc/85/02/37/387850237.db2.gz YFAIPEQBKXFXEE-MWLCHTKSSA-N 0 3 232.287 1.273 20 30 BDEDHN C=CCn1cc(CNCCCC(C)C)nn1 ZINC000424170759 387861596 /nfs/dbraw/zinc/86/15/96/387861596.db2.gz KNWPEPVQLJCAHJ-UHFFFAOYSA-N 0 3 222.336 1.990 20 30 BDEDHN C=C(C)CCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000452720039 387898209 /nfs/dbraw/zinc/89/82/09/387898209.db2.gz VOBDWDFVUZPQQE-CYBMUJFWSA-N 0 3 236.359 1.943 20 30 BDEDHN C=CC1CCN(C(=O)[C@@H](N)CCCC)CC1 ZINC000236761750 387906008 /nfs/dbraw/zinc/90/60/08/387906008.db2.gz MUBOGFLZBDMNSD-LBPRGKRZSA-N 0 3 224.348 1.929 20 30 BDEDHN C=CCCCC(=O)NC[C@H]1CCCN1C ZINC000175442553 387907648 /nfs/dbraw/zinc/90/76/48/387907648.db2.gz VEYHWMLWKNRCSC-LLVKDONJSA-N 0 3 210.321 1.553 20 30 BDEDHN C=CC(C)(C)CNC(=O)[C@H](CC)N(C)C ZINC000452774997 387914744 /nfs/dbraw/zinc/91/47/44/387914744.db2.gz NFCXKQWPZLPVNO-JTQLQIEISA-N 0 3 212.337 1.655 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCC)N(C)C ZINC000452929565 387939333 /nfs/dbraw/zinc/93/93/33/387939333.db2.gz USRMPGWSAJEEBW-UTUOFQBUSA-N 0 3 240.347 1.176 20 30 BDEDHN C=CCNC(=O)CN1CCCCC(C)(C)C1 ZINC000446058094 387988280 /nfs/dbraw/zinc/98/82/80/387988280.db2.gz DKDZHHFBPPCMMT-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN C=CCC[C@@H](CO)N[C@H](CC)c1ccn(C)n1 ZINC000453336222 388050930 /nfs/dbraw/zinc/05/09/30/388050930.db2.gz AYLAMXGYFSQXJO-NWDGAFQWSA-N 0 3 237.347 1.788 20 30 BDEDHN C=CC[C@H](CO)CNCc1ccc(C)o1 ZINC000336660419 388093902 /nfs/dbraw/zinc/09/39/02/388093902.db2.gz BWOLEYZGPMOYIN-NSHDSACASA-N 0 3 209.289 1.862 20 30 BDEDHN Cc1cccc(CN(C)C(=O)C(C)C#N)n1 ZINC000086507563 388104306 /nfs/dbraw/zinc/10/43/06/388104306.db2.gz PQXUWQSUCGMHBF-VIFPVBQESA-N 0 3 217.272 1.508 20 30 BDEDHN C=CCC[C@H](CO)N[C@H](CC)c1ccn(C)n1 ZINC000453336227 388050689 /nfs/dbraw/zinc/05/06/89/388050689.db2.gz AYLAMXGYFSQXJO-VXGBXAGGSA-N 0 3 237.347 1.788 20 30 BDEDHN C=C(C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000456125786 388179887 /nfs/dbraw/zinc/17/98/87/388179887.db2.gz WCKFIUSASMDOJP-RYUDHWBXSA-N 0 3 224.348 1.942 20 30 BDEDHN C=CCN(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000488535309 388185188 /nfs/dbraw/zinc/18/51/88/388185188.db2.gz LJIUARQCQNCONO-WDEREUQCSA-N 0 3 225.336 1.297 20 30 BDEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCCN1C ZINC000454628273 388126703 /nfs/dbraw/zinc/12/67/03/388126703.db2.gz IAJHFFDVVHOVIH-LLVKDONJSA-N 0 3 239.363 1.592 20 30 BDEDHN C=C(C)CCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000454647554 388127674 /nfs/dbraw/zinc/12/76/74/388127674.db2.gz RFHGPNQLJKFDLB-LBPRGKRZSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(C)CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000454654505 388128433 /nfs/dbraw/zinc/12/84/33/388128433.db2.gz ONWNOKUUNGJNCO-NSHDSACASA-N 0 3 239.363 1.735 20 30 BDEDHN C=CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646053459 388133424 /nfs/dbraw/zinc/13/34/24/388133424.db2.gz MAZDZHRTWJTDDQ-CQSZACIVSA-N 0 3 244.338 1.811 20 30 BDEDHN C=C(CC)CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000454792261 388133997 /nfs/dbraw/zinc/13/39/97/388133997.db2.gz SDUSNPPFJIYLOP-NWDGAFQWSA-N 0 3 239.363 1.735 20 30 BDEDHN C#CCN(CC)C[C@H](O)CC(F)(F)F ZINC000490741095 388251651 /nfs/dbraw/zinc/25/16/51/388251651.db2.gz STNJDYBOWHRKOR-MRVPVSSYSA-N 0 3 209.211 1.255 20 30 BDEDHN C#CCN(C/C=C(/C)C(=O)OC)C1CCCC1 ZINC000490820374 388255503 /nfs/dbraw/zinc/25/55/03/388255503.db2.gz NTADXJJTLYHPHZ-XFXZXTDPSA-N 0 3 235.327 1.984 20 30 BDEDHN C#CCN(CC)C(=O)[C@H](CC)N(CC)CC ZINC000490892021 388257868 /nfs/dbraw/zinc/25/78/68/388257868.db2.gz JEEXDTOALMRBPQ-LBPRGKRZSA-N 0 3 224.348 1.589 20 30 BDEDHN CC(C#N)C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456283792 388191425 /nfs/dbraw/zinc/19/14/25/388191425.db2.gz KQNPOPFDALIOTG-JFUSQASVSA-N 0 3 218.300 1.793 20 30 BDEDHN C=C[C@H]1CCCCN1C[C@@H](O)CSC ZINC000489421950 388212807 /nfs/dbraw/zinc/21/28/07/388212807.db2.gz DMPGRAMXRFGPOG-WDEREUQCSA-N 0 3 215.362 1.751 20 30 BDEDHN C=C(C)CCNCc1ccnn1CCCOC ZINC000449474013 388213963 /nfs/dbraw/zinc/21/39/63/388213963.db2.gz IWVZOHYKTRUDPW-UHFFFAOYSA-N 0 3 237.347 1.975 20 30 BDEDHN C=C[C@@H]1CCCCN1CCN1C(=O)CCC1=O ZINC000489444070 388214791 /nfs/dbraw/zinc/21/47/91/388214791.db2.gz JTWZVZCUKSXHQX-LLVKDONJSA-N 0 3 236.315 1.176 20 30 BDEDHN C=C[C@@H]1CCCCN1CCn1ccnc1 ZINC000489502504 388219919 /nfs/dbraw/zinc/21/99/19/388219919.db2.gz YSAWLEOWSPNHRE-GFCCVEGCSA-N 0 3 205.305 1.924 20 30 BDEDHN C=C[C@H]1CCCCN1CCn1ccnc1 ZINC000489502505 388220039 /nfs/dbraw/zinc/22/00/39/388220039.db2.gz YSAWLEOWSPNHRE-LBPRGKRZSA-N 0 3 205.305 1.924 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(C)c1C ZINC000449523208 388224242 /nfs/dbraw/zinc/22/42/42/388224242.db2.gz WVSUHSYWVDHYLS-NEPJUHHUSA-N 0 3 221.304 1.162 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000449524345 388224549 /nfs/dbraw/zinc/22/45/49/388224549.db2.gz ZTHNKYBKECNTLR-MFKMUULPSA-N 0 3 234.299 1.529 20 30 BDEDHN C=C(CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000456815297 388224971 /nfs/dbraw/zinc/22/49/71/388224971.db2.gz XPNZDXHIHFQOCU-LLVKDONJSA-N 0 3 212.337 1.655 20 30 BDEDHN C=C(CC)CNC(=O)[C@H]1CCCN1CCC ZINC000456829178 388225652 /nfs/dbraw/zinc/22/56/52/388225652.db2.gz NLRVFDHFRKDFQF-GFCCVEGCSA-N 0 3 224.348 1.943 20 30 BDEDHN COC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000249292081 388230360 /nfs/dbraw/zinc/23/03/60/388230360.db2.gz WEQMCWQAYXTSNQ-SMDDNHRTSA-N 0 3 248.326 1.558 20 30 BDEDHN C[C@H](NCCOCCO)c1cccc(C#N)c1 ZINC000037240118 388240318 /nfs/dbraw/zinc/24/03/18/388240318.db2.gz FTHSCDSQTNJERH-NSHDSACASA-N 0 3 234.299 1.218 20 30 BDEDHN C#C[C@H](C)N(C)CCC(=O)N(C)c1ccccc1 ZINC000491288612 388282939 /nfs/dbraw/zinc/28/29/39/388282939.db2.gz SVSSRYBHBSJBHH-ZDUSSCGKSA-N 0 3 244.338 1.993 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCC#Cc1ccccc1 ZINC000451615748 388284276 /nfs/dbraw/zinc/28/42/76/388284276.db2.gz WRSLIBHLKPVOEW-CABCVRRESA-N 0 3 227.307 1.971 20 30 BDEDHN C#C[C@@H](CC)NC(=O)c1cccc(CN(C)C)c1 ZINC000491359623 388288350 /nfs/dbraw/zinc/28/83/50/388288350.db2.gz AIHDHBOWLCHJCR-AWEZNQCLSA-N 0 3 244.338 1.890 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnc(OC)c1 ZINC000451684205 388289712 /nfs/dbraw/zinc/28/97/12/388289712.db2.gz ULFWBINMXVBNFZ-OLZOCXBDSA-N 0 3 248.326 1.913 20 30 BDEDHN CC#CCN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451694233 388290355 /nfs/dbraw/zinc/29/03/55/388290355.db2.gz KKZZNZFJWNCJDK-FRRDWIJNSA-N 0 3 207.317 1.493 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000491392851 388291305 /nfs/dbraw/zinc/29/13/05/388291305.db2.gz FLWPNSOTQYDSDS-RYUDHWBXSA-N 0 3 249.358 1.324 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000491392850 388291403 /nfs/dbraw/zinc/29/14/03/388291403.db2.gz FLWPNSOTQYDSDS-NWDGAFQWSA-N 0 3 249.358 1.324 20 30 BDEDHN C#C[C@H](CC)NCc1cc(C(=O)OC)n(C)c1 ZINC000491441656 388294558 /nfs/dbraw/zinc/29/45/58/388294558.db2.gz XEPICFPGBHTZAC-LLVKDONJSA-N 0 3 234.299 1.313 20 30 BDEDHN C#CCN(C)CCCNC(=O)NC1(C2CC2)CC1 ZINC000491503970 388299464 /nfs/dbraw/zinc/29/94/64/388299464.db2.gz FRBYMTHPEUNZMK-UHFFFAOYSA-N 0 3 249.358 1.183 20 30 BDEDHN C#CCN(C)Cc1cccc(-n2cccn2)c1 ZINC000491523859 388301583 /nfs/dbraw/zinc/30/15/83/388301583.db2.gz HSJFUYGVGHDNMT-UHFFFAOYSA-N 0 3 225.295 1.937 20 30 BDEDHN C=CCN1CCC(NC(=O)/C=C/C=C\C)CC1 ZINC000491545663 388303080 /nfs/dbraw/zinc/30/30/80/388303080.db2.gz ITGNNZAKUMERPA-AIJKMKQJSA-N 0 3 234.343 1.885 20 30 BDEDHN C#CCNC(=O)CCN1CC2(C1)CCCCC2 ZINC000491569419 388304352 /nfs/dbraw/zinc/30/43/52/388304352.db2.gz VXPCWJYSLUCJBA-UHFFFAOYSA-N 0 3 234.343 1.392 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)NCCN(CC)C1CC1 ZINC000491570213 388304491 /nfs/dbraw/zinc/30/44/91/388304491.db2.gz ZTFCBLFWHGAAQH-LLVKDONJSA-N 0 3 237.347 1.134 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000491569833 388304517 /nfs/dbraw/zinc/30/45/17/388304517.db2.gz YGOHOXRKKZKFGG-VXGBXAGGSA-N 0 3 237.347 1.039 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000491617864 388305192 /nfs/dbraw/zinc/30/51/92/388305192.db2.gz ACDARUFDZUFSNZ-GHMZBOCLSA-N 0 3 221.300 1.426 20 30 BDEDHN C#CCN(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000491625621 388305955 /nfs/dbraw/zinc/30/59/55/388305955.db2.gz ISZZUCHGFWBJPU-RYUDHWBXSA-N 0 3 249.358 1.276 20 30 BDEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(C)cn1 ZINC000491629065 388306399 /nfs/dbraw/zinc/30/63/99/388306399.db2.gz WDFSZUZTPZQHQU-GFCCVEGCSA-N 0 3 245.326 1.672 20 30 BDEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC1 ZINC000491647378 388307869 /nfs/dbraw/zinc/30/78/69/388307869.db2.gz XBHLRTDKSCQSHH-VXGBXAGGSA-N 0 3 234.343 1.483 20 30 BDEDHN C#C[C@H](C)N(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000491674515 388310074 /nfs/dbraw/zinc/31/00/74/388310074.db2.gz RYXIGRRZQOJWDC-MNOVXSKESA-N 0 3 240.347 1.853 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000491681957 388310759 /nfs/dbraw/zinc/31/07/59/388310759.db2.gz PECBSKZGRGJJOD-ZYHUDNBSSA-N 0 3 220.316 1.022 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)NCCN(C)CCCC ZINC000491699228 388312229 /nfs/dbraw/zinc/31/22/29/388312229.db2.gz UJFPTOZHIWZEDF-LBPRGKRZSA-N 0 3 239.363 1.381 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N(C)C[C@H]1CCCN1C ZINC000491705979 388313334 /nfs/dbraw/zinc/31/33/34/388313334.db2.gz WAIBJISXQNHQRI-NWDGAFQWSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCN(C[C@@H](O)CCC(C)C)C1CC1 ZINC000491723213 388314621 /nfs/dbraw/zinc/31/46/21/388314621.db2.gz ARKNJORXYOAUTN-ZDUSSCGKSA-N 0 3 209.333 1.881 20 30 BDEDHN C#CCN(CCC(=O)OCCCC)C1CC1 ZINC000491772124 388319445 /nfs/dbraw/zinc/31/94/45/388319445.db2.gz PXGZFAJPTBHOPG-UHFFFAOYSA-N 0 3 223.316 1.817 20 30 BDEDHN C#CCN(C)CCCNC(=O)C1(CF)CCC1 ZINC000491808396 388322307 /nfs/dbraw/zinc/32/23/07/388322307.db2.gz VKXZPXXANKLSHC-UHFFFAOYSA-N 0 3 240.322 1.198 20 30 BDEDHN C#C[C@@H](NC(=O)[C@H](CC)N(CC)CC)C(C)C ZINC000490987478 388264468 /nfs/dbraw/zinc/26/44/68/388264468.db2.gz ZPLABZPPDXXAQI-OLZOCXBDSA-N 0 3 238.375 1.881 20 30 BDEDHN C#CCN(CC#CC)C(=O)[C@H](CC)N(CC)CC ZINC000491014231 388265225 /nfs/dbraw/zinc/26/52/25/388265225.db2.gz ORPQGCXHXCYAJA-AWEZNQCLSA-N 0 3 248.370 1.592 20 30 BDEDHN C=CCC[C@@H](O)CN(C)Cc1ccccn1 ZINC000451374013 388267381 /nfs/dbraw/zinc/26/73/81/388267381.db2.gz JDXRVFSWYGLYFQ-CYBMUJFWSA-N 0 3 220.316 1.841 20 30 BDEDHN C#C[C@H](C)N(C)CCc1ccnn1CC ZINC000491101194 388269808 /nfs/dbraw/zinc/26/98/08/388269808.db2.gz JMAKPRQKHCJETQ-NSHDSACASA-N 0 3 205.305 1.399 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](OC)[C@H](C)C1 ZINC000451539127 388279627 /nfs/dbraw/zinc/27/96/27/388279627.db2.gz FCEMXIXMJHWHJW-GRYCIOLGSA-N 0 3 240.347 1.034 20 30 BDEDHN CN(C)CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490605803 388346278 /nfs/dbraw/zinc/34/62/78/388346278.db2.gz MBTKEQNBOKLUAJ-FPLPWBNLSA-N 0 3 243.310 1.249 20 30 BDEDHN C#CCNC(=O)CCNCc1sccc1C ZINC000163737981 388367721 /nfs/dbraw/zinc/36/77/21/388367721.db2.gz ZGYIQXBZOYQRTM-UHFFFAOYSA-N 0 3 236.340 1.286 20 30 BDEDHN CC[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC000270892266 388369091 /nfs/dbraw/zinc/36/90/91/388369091.db2.gz LKEOPGVZCUGLEA-UONOGXRCSA-N 0 3 230.311 1.761 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000228090892 388378584 /nfs/dbraw/zinc/37/85/84/388378584.db2.gz FGNUPFKFCFVAOM-IUCAKERBSA-N 0 3 210.277 1.220 20 30 BDEDHN C#CCCCCNC(=O)/C=C\CN(C)C ZINC000492106257 388335185 /nfs/dbraw/zinc/33/51/85/388335185.db2.gz BLEYOMOFWJQFON-HJWRWDBZSA-N 0 3 208.305 1.024 20 30 BDEDHN C=CCN1CCC(NC(=O)NC(C)(C)C)CC1 ZINC000176598887 388455082 /nfs/dbraw/zinc/45/50/82/388455082.db2.gz CKVCYLKOBWQKBF-UHFFFAOYSA-N 0 3 239.363 1.735 20 30 BDEDHN CSC[C@H]1CCCN1C(=O)C(C)C#N ZINC000336091443 388455934 /nfs/dbraw/zinc/45/59/34/388455934.db2.gz QPESNZFTMGSRFJ-DTWKUNHWSA-N 0 3 212.318 1.500 20 30 BDEDHN C[C@H](CO)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271916325 388412439 /nfs/dbraw/zinc/41/24/39/388412439.db2.gz GHLAYBVJPGWYHE-UWVGGRQHSA-N 0 3 236.290 1.976 20 30 BDEDHN N#Cc1ccc(CNC[C@@H](O)C2CCC2)o1 ZINC000316501217 388414786 /nfs/dbraw/zinc/41/47/86/388414786.db2.gz WVGMEAMHCZTOKW-GFCCVEGCSA-N 0 3 220.272 1.402 20 30 BDEDHN Cn1ccnc1[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000573216738 388432260 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/nfs/dbraw/zinc/51/21/77/585512177.db2.gz PPVWEDQLRDPHPJ-MGPQQGTHSA-N 0 3 237.343 1.668 20 30 BDEDHN C#CCC(C)(C)C(=O)NCCNc1ccncc1 ZINC000768710641 585542145 /nfs/dbraw/zinc/54/21/45/585542145.db2.gz YAGCESIEQUUEII-UHFFFAOYSA-N 0 3 245.326 1.081 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769290403 585552655 /nfs/dbraw/zinc/55/26/55/585552655.db2.gz CNSQWSKXJHMIAU-ZJUUUORDSA-N 0 3 234.230 1.152 20 30 BDEDHN C=CCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772529296 585617244 /nfs/dbraw/zinc/61/72/44/585617244.db2.gz GBZGOKMCCHJPBO-ZJUUUORDSA-N 0 3 225.288 1.363 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000774005232 585648282 /nfs/dbraw/zinc/64/82/82/585648282.db2.gz UOYWABHXWGXGQY-PHIMTYICSA-N 0 3 222.332 1.219 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1ccccc1-n1cncn1 ZINC000775185215 585673388 /nfs/dbraw/zinc/67/33/88/585673388.db2.gz ZFLNKFKCGMYODY-GFCCVEGCSA-N 0 3 240.310 1.721 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000775215000 585673618 /nfs/dbraw/zinc/67/36/18/585673618.db2.gz XOIHAACAFNMZGX-SNVBAGLBSA-N 0 3 246.310 1.690 20 30 BDEDHN C#C[C@H](C)NC(=O)CCN(C)c1ccncc1 ZINC000775384399 585676750 /nfs/dbraw/zinc/67/67/50/585676750.db2.gz WSCCRKVRGJGBQT-NSHDSACASA-N 0 3 231.299 1.046 20 30 BDEDHN C#CCCCN1CCN(C(C)=O)CC1(C)C ZINC000775561334 585679566 /nfs/dbraw/zinc/67/95/66/585679566.db2.gz FHTFUIZWUABBIN-UHFFFAOYSA-N 0 3 222.332 1.343 20 30 BDEDHN C[C@H]1CCCCN(CC(=O)NCCC#N)C1 ZINC000775732405 585683622 /nfs/dbraw/zinc/68/36/22/585683622.db2.gz RWKJBTKBBZAOFZ-NSHDSACASA-N 0 3 223.320 1.138 20 30 BDEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)NCCC#N ZINC000775783322 585684539 /nfs/dbraw/zinc/68/45/39/585684539.db2.gz PQGZKIQQLDVUQD-QWRGUYRKSA-N 0 3 223.320 1.137 20 30 BDEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NCCC#N ZINC000775783324 585684599 /nfs/dbraw/zinc/68/45/99/585684599.db2.gz PQGZKIQQLDVUQD-WDEREUQCSA-N 0 3 223.320 1.137 20 30 BDEDHN C#C[C@@H](NCCc1ccccc1)[C@@H]1CCCO1 ZINC000775784130 585684739 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/nfs/dbraw/zinc/70/40/64/585704064.db2.gz NGCLZIQQGXIJSR-JTQLQIEISA-N 0 3 208.265 1.317 20 30 BDEDHN CC(=NNC1=N[C@@H](C)CN1)C1CCSCC1 ZINC000777443372 585712319 /nfs/dbraw/zinc/71/23/19/585712319.db2.gz TZQPVJFYVIKNLT-QMMMGPOBSA-N 0 3 240.376 1.443 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1C=CCCC1 ZINC000778606731 585737951 /nfs/dbraw/zinc/73/79/51/585737951.db2.gz OKRMUBSPEQROJS-NWDGAFQWSA-N 0 3 246.310 1.744 20 30 BDEDHN C#C[C@H](NC1CC(OC(C)C)C1)[C@@H]1CCCO1 ZINC000779171769 585746688 /nfs/dbraw/zinc/74/66/88/585746688.db2.gz MTCCWINEQUTUAG-HOAMVYINSA-N 0 3 237.343 1.713 20 30 BDEDHN CCC(=NNC1=NC[C@H](C)N1)c1ccccc1 ZINC000779793987 585764166 /nfs/dbraw/zinc/76/41/66/585764166.db2.gz ZGLKINXFNCUSIT-JTQLQIEISA-N 0 3 230.315 1.738 20 30 BDEDHN CCO[C@@H]1CC(=NNC2=N[C@H](C)CN2)C1(C)C ZINC000779799907 585764682 /nfs/dbraw/zinc/76/46/82/585764682.db2.gz YMLCJHMPERBWOY-PSASIEDQSA-N 0 3 238.335 1.115 20 30 BDEDHN C#CCCCCCC(=O)NCCN(C)C1CC1 ZINC000780406117 585778917 /nfs/dbraw/zinc/77/89/17/585778917.db2.gz PJTYTEHMDQRUIF-UHFFFAOYSA-N 0 3 236.359 1.781 20 30 BDEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cn2)CCO1 ZINC000780555210 585780948 /nfs/dbraw/zinc/78/09/48/585780948.db2.gz PJCDFVXMLMPGKS-JQWIXIFHSA-N 0 3 231.299 1.610 20 30 BDEDHN C#CCCN1CCC[C@@H](OC(F)F)C1 ZINC000781357471 585795059 /nfs/dbraw/zinc/79/50/59/585795059.db2.gz PPFLTLIVXNBCNH-SECBINFHSA-N 0 3 203.232 1.713 20 30 BDEDHN CCC#C[C@@H](C)N1CCC2(CNC(=O)O2)CC1 ZINC000781996099 585806164 /nfs/dbraw/zinc/80/61/64/585806164.db2.gz YRAFJIMDVSFORC-LLVKDONJSA-N 0 3 236.315 1.363 20 30 BDEDHN C#CCCCN1C[C@@H](C)O[C@H](COC)C1 ZINC000784371832 585857455 /nfs/dbraw/zinc/85/74/55/585857455.db2.gz BJCZUWBUMDNUSO-NEPJUHHUSA-N 0 3 211.305 1.136 20 30 BDEDHN C=CCCCCCN(CC)CC(=O)NC ZINC000785660238 585877402 /nfs/dbraw/zinc/87/74/02/585877402.db2.gz XZYNOWAPMNOEIP-UHFFFAOYSA-N 0 3 212.337 1.801 20 30 BDEDHN C=CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000786101344 585887285 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/nfs/dbraw/zinc/96/31/23/585963123.db2.gz AVCNUVYMROUPOS-VIFPVBQESA-N 0 3 233.319 1.445 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC(C)C)C(C)C ZINC000791343031 585978079 /nfs/dbraw/zinc/97/80/79/585978079.db2.gz LIHOXGHJPHRDCU-UHFFFAOYSA-N 0 3 226.364 1.997 20 30 BDEDHN C=CCN(CCOC)C(=O)C1(N(C)C)CCC1 ZINC000791354026 585978680 /nfs/dbraw/zinc/97/86/80/585978680.db2.gz MTYXTXLPDDUBQY-UHFFFAOYSA-N 0 3 240.347 1.132 20 30 BDEDHN C#CCCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791554684 585983734 /nfs/dbraw/zinc/98/37/34/585983734.db2.gz UIAKJDNDHBROLL-YPMHNXCESA-N 0 3 207.317 1.899 20 30 BDEDHN C[C@H](C#N)OCCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000792923019 586007039 /nfs/dbraw/zinc/00/70/39/586007039.db2.gz UCHUTAPDEIJWIW-AGIUHOORSA-N 0 3 238.331 1.558 20 30 BDEDHN C#C[C@@H](NCCc1cnn(CC)c1)[C@@H]1CCCO1 ZINC000794564048 586043826 /nfs/dbraw/zinc/04/38/26/586043826.db2.gz CSXJGLICNSKVQU-KGLIPLIRSA-N 0 3 247.342 1.216 20 30 BDEDHN CSCCON=C1CN2CCC1CC2 ZINC000794572171 586044126 /nfs/dbraw/zinc/04/41/26/586044126.db2.gz LIGHUCJRSWCTAY-UHFFFAOYSA-N 0 3 214.334 1.448 20 30 BDEDHN CCc1cccc2c1OCCC2=NNC(=N)N ZINC000794888492 586053286 /nfs/dbraw/zinc/05/32/86/586053286.db2.gz OWGPYIMRQUMFBK-UHFFFAOYSA-N 0 3 232.287 1.219 20 30 BDEDHN COCCN(C)N=Cc1cnccc1N(C)C ZINC000794963034 586058202 /nfs/dbraw/zinc/05/82/02/586058202.db2.gz HRVSPOQRFXXCJC-UHFFFAOYSA-N 0 3 236.319 1.060 20 30 BDEDHN CCN(CC)CCOC(=O)c1ccc(C#N)o1 ZINC000796129480 586097906 /nfs/dbraw/zinc/09/79/06/586097906.db2.gz YHWXKYLYHWKJDM-UHFFFAOYSA-N 0 3 236.271 1.650 20 30 BDEDHN N#CC(C(=O)CCC(F)F)C(=O)N1CCCC1 ZINC000796633734 586108909 /nfs/dbraw/zinc/10/89/09/586108909.db2.gz XBVMFFWUURQZAT-MRVPVSSYSA-N 0 3 244.241 1.363 20 30 BDEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)nc(N)n1 ZINC000797836618 586132740 /nfs/dbraw/zinc/13/27/40/586132740.db2.gz XCHRHDVMABQUIZ-ZYHUDNBSSA-N 0 3 248.330 1.760 20 30 BDEDHN C#C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)C(C)C ZINC000798543193 586144728 /nfs/dbraw/zinc/14/47/28/586144728.db2.gz QLXSVBFJUKGRJE-VXGBXAGGSA-N 0 3 237.347 1.038 20 30 BDEDHN c1nncn1N=C1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000799105190 586156309 /nfs/dbraw/zinc/15/63/09/586156309.db2.gz OKYCGSLFSGEORQ-WDEREUQCSA-N 0 3 234.303 1.709 20 30 BDEDHN CNC(=O)C(C#N)C(=O)CCc1ccccc1C ZINC000103639861 586175167 /nfs/dbraw/zinc/17/51/67/586175167.db2.gz MVNFIIDMVAEBDH-GFCCVEGCSA-N 0 3 244.294 1.383 20 30 BDEDHN N=C(N)N=NC1CCC[C@H](c2cccnc2)C1 ZINC000799874880 586199131 /nfs/dbraw/zinc/19/91/31/586199131.db2.gz DSRKUJAOKVNYCX-VIFPVBQESA-N 0 3 231.303 1.578 20 30 BDEDHN C[C@@H](C#N)OCCN1CCC(c2cn[nH]c2)CC1 ZINC000801916758 586276841 /nfs/dbraw/zinc/27/68/41/586276841.db2.gz DMQOHGUZTNKLKW-NSHDSACASA-N 0 3 248.330 1.518 20 30 BDEDHN COC[C@H](NCCO[C@@H](C)C#N)c1ccccc1 ZINC000801937600 586279974 /nfs/dbraw/zinc/27/99/74/586279974.db2.gz QTFAZPUKQHCVIA-JSGCOSHPSA-N 0 3 248.326 1.892 20 30 BDEDHN C[C@H](C#N)OCCN1CCOCC2(CCC2)C1 ZINC000801941501 586280875 /nfs/dbraw/zinc/28/08/75/586280875.db2.gz PBURCTBRHUAKLH-GFCCVEGCSA-N 0 3 238.331 1.418 20 30 BDEDHN C=C[C@H]1CCCCN1CCO[C@H](C)C#N ZINC000801951908 586282191 /nfs/dbraw/zinc/28/21/91/586282191.db2.gz LURXYVGRLUIAGA-NEPJUHHUSA-N 0 3 208.305 1.956 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@H](c2ccccn2)C1 ZINC000801953890 586283720 /nfs/dbraw/zinc/28/37/20/586283720.db2.gz YGGBYLOGRIOWAE-OLZOCXBDSA-N 0 3 245.326 1.800 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2ccccn2)C1 ZINC000801953892 586283878 /nfs/dbraw/zinc/28/38/78/586283878.db2.gz YGGBYLOGRIOWAE-QWHCGFSZSA-N 0 3 245.326 1.800 20 30 BDEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)C#N ZINC000804455686 586395965 /nfs/dbraw/zinc/39/59/65/586395965.db2.gz KGLFXVXCAWRJKT-GXTWGEPZSA-N 0 3 240.306 1.897 20 30 BDEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)C#N ZINC000804455689 586396350 /nfs/dbraw/zinc/39/63/50/586396350.db2.gz KGLFXVXCAWRJKT-TZMCWYRMSA-N 0 3 240.306 1.897 20 30 BDEDHN C[C@H]1CN=C(NN=C2C[C@H](C)c3ccccc32)N1 ZINC000807981351 586454862 /nfs/dbraw/zinc/45/48/62/586454862.db2.gz LXNSVUVWJWCMHY-UWVGGRQHSA-N 0 3 242.326 1.835 20 30 BDEDHN N=C(N)NN=Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811638222 586562221 /nfs/dbraw/zinc/56/22/21/586562221.db2.gz KDSYBSJHSXLBQO-UHFFFAOYSA-N 0 3 246.192 1.228 20 30 BDEDHN C#CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104286 586592238 /nfs/dbraw/zinc/59/22/38/586592238.db2.gz LOPGEQFIPOUHEE-SECBINFHSA-N 0 3 213.233 1.388 20 30 BDEDHN CC(COC(=O)c1cccc(C#N)c1)[N+](=O)[O-] ZINC000813104922 586592590 /nfs/dbraw/zinc/59/25/90/586592590.db2.gz SWRGAAAQBYNEFL-MRVPVSSYSA-N 0 3 234.211 1.380 20 30 BDEDHN CC(COC(=O)c1ccc(C#N)cc1)[N+](=O)[O-] ZINC000813112613 586593810 /nfs/dbraw/zinc/59/38/10/586593810.db2.gz JQKOUKKFVNMPBO-MRVPVSSYSA-N 0 3 234.211 1.380 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1scnc1C ZINC000813531697 586603232 /nfs/dbraw/zinc/60/32/32/586603232.db2.gz FHRUTMKXBSDPHD-UHFFFAOYSA-N 0 3 225.317 1.508 20 30 BDEDHN C#CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000813619945 586604512 /nfs/dbraw/zinc/60/45/12/586604512.db2.gz VYHGAHOQXHTUHD-LBPRGKRZSA-N 0 3 234.274 1.178 20 30 BDEDHN c1nncn1N=C1CCCC[C@@H]1[C@H]1CCOC1 ZINC000814681858 586628810 /nfs/dbraw/zinc/62/88/10/586628810.db2.gz AMVNCFJPLJEFFE-WDEREUQCSA-N 0 3 234.303 1.709 20 30 BDEDHN OCCC[C@@H]1CCCCC1=Nn1cnnc1 ZINC000814682724 586628994 /nfs/dbraw/zinc/62/89/94/586628994.db2.gz NOATXIWCWNOJEQ-JTQLQIEISA-N 0 3 222.292 1.445 20 30 BDEDHN N=C(N)N=NC1CCCC[C@H]1[C@H]1CCOC1 ZINC000814796629 586634542 /nfs/dbraw/zinc/63/45/42/586634542.db2.gz JDJIFRAFWQJJPQ-IUCAKERBSA-N 0 3 224.308 1.052 20 30 BDEDHN N=C(N)N=NC1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000814796630 586634653 /nfs/dbraw/zinc/63/46/53/586634653.db2.gz JDJIFRAFWQJJPQ-RKDXNWHRSA-N 0 3 224.308 1.052 20 30 BDEDHN CC(=NN[C@H](C)CO)c1cccc(CN(C)C)c1 ZINC000814864950 586639985 /nfs/dbraw/zinc/63/99/85/586639985.db2.gz MPJUEYOYMMSLAI-LLVKDONJSA-N 0 3 249.358 1.443 20 30 BDEDHN CCC(=NNC1=NC[C@H](C)N1)c1ccco1 ZINC000814897535 586645849 /nfs/dbraw/zinc/64/58/49/586645849.db2.gz KXDRMLHFNVNPTL-QMMMGPOBSA-N 0 3 220.276 1.331 20 30 BDEDHN CCCC(=NNC1=NC[C@@H](C)N1)c1ccccn1 ZINC000814899120 586645905 /nfs/dbraw/zinc/64/59/05/586645905.db2.gz ZQFCSTFMSCGDPF-SNVBAGLBSA-N 0 3 245.330 1.523 20 30 BDEDHN C[C@@H]1CN=C(NN=C2CCCc3occc32)N1 ZINC000814898450 586645917 /nfs/dbraw/zinc/64/59/17/586645917.db2.gz SSYJOOCDLLFLSM-MRVPVSSYSA-N 0 3 232.287 1.257 20 30 BDEDHN C[C@H](O)CNN=Cc1ccc(N(C)C)cc1 ZINC000814964068 586661195 /nfs/dbraw/zinc/66/11/95/586661195.db2.gz VGARDFUPZMYAAF-JTQLQIEISA-N 0 3 221.304 1.057 20 30 BDEDHN CC(=O)OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000815075566 586665309 /nfs/dbraw/zinc/66/53/09/586665309.db2.gz BAERHARPPIVZID-NEPJUHHUSA-N 0 3 236.315 1.706 20 30 BDEDHN C[C@H]1CCOCCN1CCOCCC#N ZINC000815085210 586665678 /nfs/dbraw/zinc/66/56/78/586665678.db2.gz OJAYQKVAXBPTPB-NSHDSACASA-N 0 3 212.293 1.027 20 30 BDEDHN C=CCC(F)(F)C(=O)OCC(C)[N+](=O)[O-] ZINC000816091165 586707510 /nfs/dbraw/zinc/70/75/10/586707510.db2.gz NDSABQRVCPPLRZ-ZCFIWIBFSA-N 0 3 223.175 1.406 20 30 BDEDHN C#C[C@@H](C)NCc1ccc2c(c1)oc(=O)n2C ZINC000816607096 586743816 /nfs/dbraw/zinc/74/38/16/586743816.db2.gz FNNPIIGZEAPBGY-SECBINFHSA-N 0 3 230.267 1.243 20 30 BDEDHN C=CCN(C)C[C@H](O)c1ccc(F)cc1 ZINC000116993774 589064377 /nfs/dbraw/zinc/06/43/77/589064377.db2.gz VTHKIZQRCUNEEH-LBPRGKRZSA-N 0 3 209.264 1.977 20 30 BDEDHN C=CC[C@@H](NC[C@@H](C)O)c1ccncc1 ZINC000819073753 586928814 /nfs/dbraw/zinc/92/88/14/586928814.db2.gz HZYAOTKURODFQJ-ZYHUDNBSSA-N 0 3 206.289 1.669 20 30 BDEDHN C#CC[C@@H](NCCC(N)=O)c1ccccc1 ZINC000819192043 586937181 /nfs/dbraw/zinc/93/71/81/586937181.db2.gz WVVSIXULBSGBJK-GFCCVEGCSA-N 0 3 216.284 1.216 20 30 BDEDHN C#CCOCCNC[C@@H](O)c1cccc(F)c1 ZINC000819227606 586940506 /nfs/dbraw/zinc/94/05/06/586940506.db2.gz DJIFKUAGBFMWKQ-CYBMUJFWSA-N 0 3 237.274 1.099 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNc1cc(C)nc(N)n1 ZINC000819937953 587004186 /nfs/dbraw/zinc/00/41/86/587004186.db2.gz NIHVZWHNZNHSPD-UWVGGRQHSA-N 0 3 234.303 1.370 20 30 BDEDHN C#CCCNC(=O)CN(C)CC(C)(C)C ZINC000819982950 587010555 /nfs/dbraw/zinc/01/05/55/587010555.db2.gz YLQYKIOXONTHBN-UHFFFAOYSA-N 0 3 210.321 1.104 20 30 BDEDHN C#CCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000820346985 587044583 /nfs/dbraw/zinc/04/45/83/587044583.db2.gz RDGDAGYIEKTZIW-ZDUSSCGKSA-N 0 3 234.343 1.533 20 30 BDEDHN N#Cc1ccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC000860156241 589082809 /nfs/dbraw/zinc/08/28/09/589082809.db2.gz HSZOSTJMJONNHN-STQMWFEESA-N 0 3 242.278 1.163 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)NCC1=CCN(C)CC1 ZINC000820647599 587061883 /nfs/dbraw/zinc/06/18/83/587061883.db2.gz SWHSOFFXRYJPMH-ZDUSSCGKSA-N 0 3 249.358 1.349 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc2c[nH]nc2c1 ZINC000821206149 587101762 /nfs/dbraw/zinc/10/17/62/587101762.db2.gz AVZLXSUSKQMSCX-LBPRGKRZSA-N 0 3 229.283 1.037 20 30 BDEDHN C#CCN(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000822371268 587164908 /nfs/dbraw/zinc/16/49/08/587164908.db2.gz XYVCCWYXJMMLJU-GFCCVEGCSA-N 0 3 220.316 1.095 20 30 BDEDHN C=CCCCC[C@@H](C)NCCS(C)(=O)=O ZINC000823716668 587237572 /nfs/dbraw/zinc/23/75/72/587237572.db2.gz NIGAJOIMRFDIOS-LLVKDONJSA-N 0 3 233.377 1.756 20 30 BDEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)[C@@H](C)O1 ZINC000824232387 587261753 /nfs/dbraw/zinc/26/17/53/587261753.db2.gz YQPOWJCHLCYARL-GIPNMCIBSA-N 0 3 231.299 1.609 20 30 BDEDHN C=CCC[C@H](CO)NCc1ccc(F)nc1C ZINC000825169184 587307248 /nfs/dbraw/zinc/30/72/48/587307248.db2.gz XEXRAZLLVUYVHQ-GFCCVEGCSA-N 0 3 238.306 1.946 20 30 BDEDHN C#Cc1cccc(CNC2CSC2)c1 ZINC000825226534 587310045 /nfs/dbraw/zinc/31/00/45/587310045.db2.gz IKGJXTATPVROLR-UHFFFAOYSA-N 0 3 203.310 1.873 20 30 BDEDHN C#C[C@H](C)NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825878454 587343518 /nfs/dbraw/zinc/34/35/18/587343518.db2.gz OACSJWFCZDUZCI-SWLSCSKDSA-N 0 3 245.322 1.966 20 30 BDEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000826950845 587366471 /nfs/dbraw/zinc/36/64/71/587366471.db2.gz YCONTQRSZMHDDL-QWHCGFSZSA-N 0 3 236.359 1.895 20 30 BDEDHN C#C[C@H](NCc1[nH]ncc1C)C1CCOCC1 ZINC000827559718 587387880 /nfs/dbraw/zinc/38/78/80/587387880.db2.gz INXJAGNIPAXBIU-LBPRGKRZSA-N 0 3 233.315 1.236 20 30 BDEDHN C#C[C@@H](NCc1cnn(CC)c1)C1CCOCC1 ZINC000827571353 587389355 /nfs/dbraw/zinc/38/93/55/587389355.db2.gz ZHIAKMHNWQJVKE-CQSZACIVSA-N 0 3 247.342 1.421 20 30 BDEDHN C#C[C@@H](NCc1c(C)n[nH]c1C)C1CCOCC1 ZINC000827571211 587389486 /nfs/dbraw/zinc/38/94/86/587389486.db2.gz WUEJWOMAAPIFBL-CQSZACIVSA-N 0 3 247.342 1.545 20 30 BDEDHN C#Cc1cnc(N[C@H]2CCN(C)[C@@H](C)C2)nc1 ZINC000827679492 587395840 /nfs/dbraw/zinc/39/58/40/587395840.db2.gz MBKRMWUUQYKXDC-JQWIXIFHSA-N 0 3 230.315 1.353 20 30 BDEDHN C#C[C@H](NCCc1ccncc1C)[C@@H]1CCCO1 ZINC000828307181 587433633 /nfs/dbraw/zinc/43/36/33/587433633.db2.gz LRPDMJPCJIQISM-GJZGRUSLSA-N 0 3 244.338 1.703 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000828595705 587452311 /nfs/dbraw/zinc/45/23/11/587452311.db2.gz MDKSQCQQSBQJFJ-CHWSQXEVSA-N 0 3 236.359 1.587 20 30 BDEDHN C#CC[C@@H](NC[C@H]1COCCO1)c1ccccc1 ZINC000828687408 587457553 /nfs/dbraw/zinc/45/75/53/587457553.db2.gz KIKYZIFNSDONSZ-LSDHHAIUSA-N 0 3 245.322 1.756 20 30 BDEDHN C=CC[C@H](NC(=O)CNC1CC1)c1ccncc1 ZINC000829690262 587509765 /nfs/dbraw/zinc/50/97/65/587509765.db2.gz OYJJELNJNWNUKV-ZDUSSCGKSA-N 0 3 245.326 1.567 20 30 BDEDHN C=CC[C@H](NC(=O)[C@H]1C[C@H]1N)c1ccncc1 ZINC000829690606 587510051 /nfs/dbraw/zinc/51/00/51/587510051.db2.gz WVGOROUQXAMDBU-TUAOUCFPSA-N 0 3 231.299 1.162 20 30 BDEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC000829774247 587515186 /nfs/dbraw/zinc/51/51/86/587515186.db2.gz NWAFHCILYLIYQZ-NEPJUHHUSA-N 0 3 234.343 1.389 20 30 BDEDHN CN(CCC(C)(C)C)CC(=O)NCCC#N ZINC000829929207 587528704 /nfs/dbraw/zinc/52/87/04/587528704.db2.gz SHVBTCVIUSPFKH-UHFFFAOYSA-N 0 3 225.336 1.384 20 30 BDEDHN C#C[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)[C@@H]1CCCO1 ZINC000830349436 587546800 /nfs/dbraw/zinc/54/68/00/587546800.db2.gz XLBBRBDYGLJACR-NWBUJAPZSA-N 0 3 223.316 1.323 20 30 BDEDHN C=CCCCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830906195 587576830 /nfs/dbraw/zinc/57/68/30/587576830.db2.gz OFSORHYRXCCNKZ-NEPJUHHUSA-N 0 3 238.331 1.773 20 30 BDEDHN C#CCCCN1CC[C@](O)(C(F)F)C1 ZINC000831175609 587589361 /nfs/dbraw/zinc/58/93/61/587589361.db2.gz NOILPNLFVVVNLY-SNVBAGLBSA-N 0 3 203.232 1.102 20 30 BDEDHN CC(C#N)C(=O)NCC[C@@H](O)C1CCCC1 ZINC000831370626 587602055 /nfs/dbraw/zinc/60/20/55/587602055.db2.gz KWZONRNYUIPSST-GXSJLCMTSA-N 0 3 224.304 1.203 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C(/C)C(=O)OC ZINC000831830577 587633691 /nfs/dbraw/zinc/63/36/91/587633691.db2.gz WZGNGAKAPWRBBA-GZDUMXDUSA-N 0 3 239.315 1.429 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCC(OCC)OCC ZINC000831834102 587633905 /nfs/dbraw/zinc/63/39/05/587633905.db2.gz DJMFIKUZVIYTGL-NEPJUHHUSA-N 0 3 243.347 1.709 20 30 BDEDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(OCC#N)cc1 ZINC000832219733 587651181 /nfs/dbraw/zinc/65/11/81/587651181.db2.gz IRVDSQKXINQTES-BXUZGUMPSA-N 0 3 246.310 1.544 20 30 BDEDHN C#CCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000832950354 587695541 /nfs/dbraw/zinc/69/55/41/587695541.db2.gz XYKOPOALJLIIHY-ZDUSSCGKSA-N 0 3 248.370 1.733 20 30 BDEDHN CC(C#N)C(=O)N1CCn2nc(C3CC3)cc2C1 ZINC000834457712 587755614 /nfs/dbraw/zinc/75/56/14/587755614.db2.gz PCSGTPXUXXVDHD-SECBINFHSA-N 0 3 244.298 1.262 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000834650684 587762795 /nfs/dbraw/zinc/76/27/95/587762795.db2.gz QPVPHUCJGHEVPZ-WDEREUQCSA-N 0 3 242.388 1.505 20 30 BDEDHN N=C(N)NN=Cc1ccc2c(c1)OCCCCO2 ZINC000834939197 587771864 /nfs/dbraw/zinc/77/18/64/587771864.db2.gz TXIXWHULKILUDE-UHFFFAOYSA-N 0 3 248.286 1.055 20 30 BDEDHN CCC(=NNC1=NC[C@H](C)N1)c1ccncc1 ZINC000834969874 587774092 /nfs/dbraw/zinc/77/40/92/587774092.db2.gz JHUWXZZQGMLQTA-VIFPVBQESA-N 0 3 231.303 1.133 20 30 BDEDHN CCN(CC)CC#C[C@H](C)OC(=O)C(C)C ZINC000121449589 587835735 /nfs/dbraw/zinc/83/57/35/587835735.db2.gz UBLVIWDUFFZCMN-LBPRGKRZSA-N 0 3 225.332 1.919 20 30 BDEDHN C#Cc1cccc(CNC(=O)CN(C)CCC)c1 ZINC000837105839 587854332 /nfs/dbraw/zinc/85/43/32/587854332.db2.gz URNZIIVRMCQTDC-UHFFFAOYSA-N 0 3 244.338 1.626 20 30 BDEDHN C[C@@H](CNC(=O)C#CC1CC1)N1CCCC[C@H]1C ZINC000837344759 587868386 /nfs/dbraw/zinc/86/83/86/587868386.db2.gz HQRDIRXYMFMYGD-OLZOCXBDSA-N 0 3 248.370 1.779 20 30 BDEDHN C[C@@H](CNC(=O)C#CC1CC1)N1CCC[C@@H](C)C1 ZINC000837347165 587868409 /nfs/dbraw/zinc/86/84/09/587868409.db2.gz VDMOJBIICPWONG-OLZOCXBDSA-N 0 3 248.370 1.636 20 30 BDEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C1CC1 ZINC000837392402 587870244 /nfs/dbraw/zinc/87/02/44/587870244.db2.gz LJHCJGBVNIRMCM-LLVKDONJSA-N 0 3 236.359 1.635 20 30 BDEDHN CCN(CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC000837392964 587870527 /nfs/dbraw/zinc/87/05/27/587870527.db2.gz FXJWAXHNIKSTHH-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1C1CC1 ZINC000837461680 587874978 /nfs/dbraw/zinc/87/49/78/587874978.db2.gz KWNWQZKZDVELHK-PWSUYJOCSA-N 0 3 232.327 1.141 20 30 BDEDHN C=C[C@@H](O)C(=O)OC[C@H]1CCCCN1C(C)C ZINC000837747841 587893851 /nfs/dbraw/zinc/89/38/51/587893851.db2.gz WCHXDZXZDJJUQB-VXGBXAGGSA-N 0 3 241.331 1.339 20 30 BDEDHN C=C[C@H](O)C(=O)OCCN(C)Cc1ccccc1 ZINC000837746823 587894025 /nfs/dbraw/zinc/89/40/25/587894025.db2.gz OLMHMWGKDWKXEI-ZDUSSCGKSA-N 0 3 249.310 1.209 20 30 BDEDHN C=CCCCOC(=O)C1CCCN(C)C1=O ZINC000837958330 587905427 /nfs/dbraw/zinc/90/54/27/587905427.db2.gz ZIPWIHURAPFGLZ-JTQLQIEISA-N 0 3 225.288 1.364 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](CC)[C@H](O)C(C)C ZINC000840523983 587909920 /nfs/dbraw/zinc/90/99/20/587909920.db2.gz HHOLGAQPOIVZRZ-VXGBXAGGSA-N 0 3 242.363 1.016 20 30 BDEDHN CC(C)CC(=NNC1=NCCN1)c1ccncc1 ZINC000842536094 588035648 /nfs/dbraw/zinc/03/56/48/588035648.db2.gz MVIIEWWRJSLIIG-UHFFFAOYSA-N 0 3 245.330 1.381 20 30 BDEDHN CCN(CCO)N=C(C)c1ccc(N)cc1C ZINC000842538923 588036882 /nfs/dbraw/zinc/03/68/82/588036882.db2.gz QZZKJOIRSCKKRW-UHFFFAOYSA-N 0 3 235.331 1.615 20 30 BDEDHN C#CC[C@@H]1CCCN(CN2C[C@@H](C)CC2=O)C1 ZINC000842629192 588046716 /nfs/dbraw/zinc/04/67/16/588046716.db2.gz LDOKQRSVVJMFBN-QWHCGFSZSA-N 0 3 234.343 1.548 20 30 BDEDHN C#CC[C@H]1CCCN(Cc2c(C)cnn2C)C1 ZINC000843423885 588107718 /nfs/dbraw/zinc/10/77/18/588107718.db2.gz SNDFFMMVOJCGBB-ZDUSSCGKSA-N 0 3 231.343 1.964 20 30 BDEDHN CCN(OC)C(=O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000843430345 588108640 /nfs/dbraw/zinc/10/86/40/588108640.db2.gz IURKHPJZEHTUOH-WDEREUQCSA-N 0 3 239.319 1.068 20 30 BDEDHN C=C(C)CN1CCC(NC(=O)C2(F)CC2)CC1 ZINC000843791165 588140700 /nfs/dbraw/zinc/14/07/00/588140700.db2.gz KCZTXAJKELLPKR-UHFFFAOYSA-N 0 3 240.322 1.645 20 30 BDEDHN C#C[C@@H](NC(=O)CN(CC)CC)c1ccccc1 ZINC000843969076 588151295 /nfs/dbraw/zinc/15/12/95/588151295.db2.gz HFMNBDHNIDEAHZ-CQSZACIVSA-N 0 3 244.338 1.819 20 30 BDEDHN C#CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000843999181 588154418 /nfs/dbraw/zinc/15/44/18/588154418.db2.gz BBIVGGPMVNYJNF-CYBMUJFWSA-N 0 3 236.359 1.589 20 30 BDEDHN C=C[C@H](C)ON=C1CCN(CCO)CC1 ZINC000844620891 588209314 /nfs/dbraw/zinc/20/93/14/588209314.db2.gz RGVUEQWHYLLKMW-JTQLQIEISA-N 0 3 212.293 1.022 20 30 BDEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)C(C)C ZINC000845627521 588237991 /nfs/dbraw/zinc/23/79/91/588237991.db2.gz RCSUTODCHDRXAY-NSHDSACASA-N 0 3 243.351 1.474 20 30 BDEDHN C=C(C)CC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000845867007 588248965 /nfs/dbraw/zinc/24/89/65/588248965.db2.gz LNCIWNDJXMBLFC-GHMZBOCLSA-N 0 3 239.315 1.753 20 30 BDEDHN C=CCN(CC(=O)OCC)C(=O)C(C#N)CC ZINC000845885425 588249395 /nfs/dbraw/zinc/24/93/95/588249395.db2.gz OJHKDQZMGBQLHD-SNVBAGLBSA-N 0 3 238.287 1.114 20 30 BDEDHN CN(CCN1CCCCC1)C(=O)C#CC1CC1 ZINC000846612009 588279692 /nfs/dbraw/zinc/27/96/92/588279692.db2.gz MYFSWPDNJRUILT-UHFFFAOYSA-N 0 3 234.343 1.344 20 30 BDEDHN C#C[C@H]1CCCN(CCn2nc(C)cc2C)C1 ZINC000847020003 588302415 /nfs/dbraw/zinc/30/24/15/588302415.db2.gz UUZZJBXCDBBPAX-AWEZNQCLSA-N 0 3 231.343 1.845 20 30 BDEDHN C#C[C@H]1CCCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000847037488 588304714 /nfs/dbraw/zinc/30/47/14/588304714.db2.gz UZYIZWHCUSGQOO-AAEUAGOBSA-N 0 3 248.326 1.315 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000847037489 588304833 /nfs/dbraw/zinc/30/48/33/588304833.db2.gz UZYIZWHCUSGQOO-DGCLKSJQSA-N 0 3 248.326 1.315 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000847297249 588310444 /nfs/dbraw/zinc/31/04/44/588310444.db2.gz GDSSLLRNVYFUAG-QWHCGFSZSA-N 0 3 249.358 1.135 20 30 BDEDHN C#CCCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000847865853 588339257 /nfs/dbraw/zinc/33/92/57/588339257.db2.gz FZSAIQQSVLWHTM-GHMZBOCLSA-N 0 3 237.299 1.200 20 30 BDEDHN C=CCOCC(=O)OC[C@H](C)N1CCCCC1 ZINC000847959962 588345358 /nfs/dbraw/zinc/34/53/58/588345358.db2.gz KABPSNUTRMIQBY-LBPRGKRZSA-N 0 3 241.331 1.607 20 30 BDEDHN C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000848287549 588370940 /nfs/dbraw/zinc/37/09/40/588370940.db2.gz SKBDTFMTLHIJFR-KGLIPLIRSA-N 0 3 248.370 1.733 20 30 BDEDHN C[NH+]1CCC(O[N-]C(=O)CCCCC#N)CC1 ZINC000848377981 588374936 /nfs/dbraw/zinc/37/49/36/588374936.db2.gz ZBGCLADXYBPBCU-UHFFFAOYSA-N 0 3 239.319 1.212 20 30 BDEDHN C#CCNC(=O)COc1cc(C)nc(C)c1C ZINC000848512342 588388249 /nfs/dbraw/zinc/38/82/49/588388249.db2.gz IDTXNMQHNGHQHG-UHFFFAOYSA-N 0 3 232.283 1.135 20 30 BDEDHN C=C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000850410098 588544499 /nfs/dbraw/zinc/54/44/99/588544499.db2.gz GANQOCPESGFTBK-LLVKDONJSA-N 0 3 237.299 1.427 20 30 BDEDHN C#C[C@H](N[C@@H]1COC2(CCC2)C1)[C@@H]1CCCO1 ZINC000850462810 588548644 /nfs/dbraw/zinc/54/86/44/588548644.db2.gz SCSGKHRBYVAKDI-AVGNSLFASA-N 0 3 235.327 1.468 20 30 BDEDHN C[C@H](CCO)NCC1(C#N)CCCCC1 ZINC000850550206 588559759 /nfs/dbraw/zinc/55/97/59/588559759.db2.gz NMKUKAXCFFIRSS-LLVKDONJSA-N 0 3 210.321 1.821 20 30 BDEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000850768148 588566131 /nfs/dbraw/zinc/56/61/31/588566131.db2.gz MFKOLHCFNOKFNB-GXSJLCMTSA-N 0 3 247.298 1.304 20 30 BDEDHN C[C@H](CC#N)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000851103418 588590868 /nfs/dbraw/zinc/59/08/68/588590868.db2.gz AXJPRBSKWXHYHA-GHMZBOCLSA-N 0 3 238.331 1.952 20 30 BDEDHN C#CCOCCN1CCC[C@H](c2nc(C)no2)C1 ZINC000851735157 588620216 /nfs/dbraw/zinc/62/02/16/588620216.db2.gz CTBZWQWDQRWNII-LBPRGKRZSA-N 0 3 249.314 1.207 20 30 BDEDHN C#CCOCCN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000851858361 588635999 /nfs/dbraw/zinc/63/59/99/588635999.db2.gz MHYWCGUWIQQTKB-KBPBESRZSA-N 0 3 247.342 1.416 20 30 BDEDHN C#CCOCCN(CC)CCc1nccs1 ZINC000851866497 588636917 /nfs/dbraw/zinc/63/69/17/588636917.db2.gz OAVPLQHRMFXZEN-UHFFFAOYSA-N 0 3 238.356 1.657 20 30 BDEDHN C#CCOCCN1CCC([C@@H]2CCCO2)CC1 ZINC000851971709 588649694 /nfs/dbraw/zinc/64/96/94/588649694.db2.gz RXYJGLJJPIGVRZ-AWEZNQCLSA-N 0 3 237.343 1.527 20 30 BDEDHN C#CC(C)(C)N(C)C[C@H]1COC(C)(C)O1 ZINC000851986414 588651611 /nfs/dbraw/zinc/65/16/11/588651611.db2.gz KOGHDECIOJKUSB-JTQLQIEISA-N 0 3 211.305 1.482 20 30 BDEDHN C#C[C@@H](C)N(C)CCO[C@H]1CC1(F)F ZINC000851990730 588653083 /nfs/dbraw/zinc/65/30/83/588653083.db2.gz VJLDMRZTRLWDCU-BDAKNGLRSA-N 0 3 203.232 1.364 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccco1 ZINC000852098430 588662203 /nfs/dbraw/zinc/66/22/03/588662203.db2.gz MTGZFHRFHUEAQH-AWEZNQCLSA-N 0 3 248.326 1.630 20 30 BDEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(CCC)C1 ZINC000852123601 588665297 /nfs/dbraw/zinc/66/52/97/588665297.db2.gz QZKZHMVOCRZEFM-JTQLQIEISA-N 0 3 245.754 1.522 20 30 BDEDHN CC[C@H](CC#N)NCC[C@@H]1COC(C)(C)O1 ZINC000852156492 588667847 /nfs/dbraw/zinc/66/78/47/588667847.db2.gz OOBZNDOOXLTCMG-GHMZBOCLSA-N 0 3 226.320 1.810 20 30 BDEDHN C=C(Cl)CN[C@H](CO)[C@@H]1CCCOC1 ZINC000852172959 588669285 /nfs/dbraw/zinc/66/92/85/588669285.db2.gz OGNBAIQYZIPMKF-NXEZZACHSA-N 0 3 219.712 1.116 20 30 BDEDHN C#C[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000852215875 588673502 /nfs/dbraw/zinc/67/35/02/588673502.db2.gz PTZPORWAZSJZSJ-WDEREUQCSA-N 0 3 207.273 1.037 20 30 BDEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000852319408 588678088 /nfs/dbraw/zinc/67/80/88/588678088.db2.gz LWZZOLDYILOZIA-WDEREUQCSA-N 0 3 222.288 1.318 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852438666 588682097 /nfs/dbraw/zinc/68/20/97/588682097.db2.gz VGZMIWUZOQDKBR-UTUOFQBUSA-N 0 3 249.314 1.205 20 30 BDEDHN CC[C@@H]1COC[C@@H]1NCc1ccc(C#N)cn1 ZINC000852556802 588689851 /nfs/dbraw/zinc/68/98/51/588689851.db2.gz YWFIIYGFNRLJKX-YPMHNXCESA-N 0 3 231.299 1.468 20 30 BDEDHN C#CCN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654250 588693964 /nfs/dbraw/zinc/69/39/64/588693964.db2.gz HIJCZNZDAYXVNQ-CQSZACIVSA-N 0 3 214.312 1.830 20 30 BDEDHN C=C[C@H](CO)NC[C@@H]1CC1(Cl)Cl ZINC000852713548 588697396 /nfs/dbraw/zinc/69/73/96/588697396.db2.gz JYYGYNNKQXXTSZ-NKWVEPMBSA-N 0 3 210.104 1.317 20 30 BDEDHN C=C[C@H](CO)NCC1(Br)CC1 ZINC000852714661 588697430 /nfs/dbraw/zinc/69/74/30/588697430.db2.gz XNFMLJGGCGVLHY-SSDOTTSWSA-N 0 3 220.110 1.050 20 30 BDEDHN C=C[C@H](CO)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000852714356 588697659 /nfs/dbraw/zinc/69/76/59/588697659.db2.gz IWRACAIBGXVUJD-ZIAGYGMSSA-N 0 3 235.327 1.473 20 30 BDEDHN C=C[C@H](CO)NC[C@@]1(C)CC1(Cl)Cl ZINC000852714483 588697753 /nfs/dbraw/zinc/69/77/53/588697753.db2.gz ROEKZFRDIMBRPI-HTQZYQBOSA-N 0 3 224.131 1.707 20 30 BDEDHN C=C[C@H](CO)NC[C@H](O)c1ccc(C)cc1 ZINC000852714216 588697781 /nfs/dbraw/zinc/69/77/81/588697781.db2.gz FPUHVYMRFOVVCB-OLZOCXBDSA-N 0 3 221.300 1.165 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000852773892 588701873 /nfs/dbraw/zinc/70/18/73/588701873.db2.gz ITSPATLCYFYTCQ-GHMZBOCLSA-N 0 3 222.332 1.102 20 30 BDEDHN CCC(C#N)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777769 589119506 /nfs/dbraw/zinc/11/95/06/589119506.db2.gz VUAGVEYROPHDHG-QMMMGPOBSA-N 0 3 228.248 1.525 20 30 BDEDHN C#C[C@H](NCc1ccnc(F)c1)C(C)C ZINC000862363336 589203976 /nfs/dbraw/zinc/20/39/76/589203976.db2.gz MZMAYHDBWIDRJB-NSHDSACASA-N 0 3 206.264 1.968 20 30 BDEDHN C#C[C@H](C)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862363365 589204114 /nfs/dbraw/zinc/20/41/14/589204114.db2.gz NVFHAFDSRMJRJH-VIFPVBQESA-N 0 3 248.326 1.920 20 30 BDEDHN C#CC[C@H]1CCN(Cc2ccccn2)C1 ZINC000862442518 589213521 /nfs/dbraw/zinc/21/35/21/589213521.db2.gz DERQOSGCZHDWKP-LBPRGKRZSA-N 0 3 200.285 1.927 20 30 BDEDHN CCON(CC)C(=O)CN[C@H]1CC[C@H](C#N)C1 ZINC000862453816 589215700 /nfs/dbraw/zinc/21/57/00/589215700.db2.gz NRKWKKGGTJNWLF-QWRGUYRKSA-N 0 3 239.319 1.068 20 30 BDEDHN CCON(CC)C(=O)CN[C@H]1CC[C@@H](C#N)C1 ZINC000862453813 589215960 /nfs/dbraw/zinc/21/59/60/589215960.db2.gz NRKWKKGGTJNWLF-MNOVXSKESA-N 0 3 239.319 1.068 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC000862565784 589222895 /nfs/dbraw/zinc/22/28/95/589222895.db2.gz WJQDXIMYXLRRNW-LBPRGKRZSA-N 0 3 222.332 1.200 20 30 BDEDHN O=C(C#CC1CC1)NC[C@@H]1CCN1C1CCCC1 ZINC000863031368 589252390 /nfs/dbraw/zinc/25/23/90/589252390.db2.gz GDWLVQRZPHUOHM-AWEZNQCLSA-N 0 3 246.354 1.533 20 30 BDEDHN CCC(=NNC1=NC[C@H](C)N1)c1ccc(N)cc1 ZINC000863105237 589256457 /nfs/dbraw/zinc/25/64/57/589256457.db2.gz KYISPMNDKYCESV-VIFPVBQESA-N 0 3 245.330 1.320 20 30 BDEDHN CCC(=NN(C)C[C@@H](C)O)c1ccc(N)cc1 ZINC000863120948 589260474 /nfs/dbraw/zinc/26/04/74/589260474.db2.gz WVWBWGMIMDVQHP-SNVBAGLBSA-N 0 3 235.331 1.696 20 30 BDEDHN Cc1cc(N(C)C)ccc1C=NNCC(C)(C)O ZINC000863136612 589261444 /nfs/dbraw/zinc/26/14/44/589261444.db2.gz INGFPKNGNBTXGZ-UHFFFAOYSA-N 0 3 249.358 1.755 20 30 BDEDHN CC(C)(O)CNN=C1CCCc2ccc(N)cc21 ZINC000863136755 589261886 /nfs/dbraw/zinc/26/18/86/589261886.db2.gz LKLIZWCCUBOTMS-UHFFFAOYSA-N 0 3 247.342 1.670 20 30 BDEDHN C=C(C)CNC(=S)NC[C@H]1CCCN1C ZINC000863215058 589271723 /nfs/dbraw/zinc/27/17/23/589271723.db2.gz OPWVJFUBBNNTIJ-SNVBAGLBSA-N 0 3 227.377 1.121 20 30 BDEDHN N#CC1(CNC[C@H](O)C2CC2)CCCCC1 ZINC000863574125 589300724 /nfs/dbraw/zinc/30/07/24/589300724.db2.gz XGULZASPYYOCIK-LBPRGKRZSA-N 0 3 222.332 1.821 20 30 BDEDHN C#CC[C@@H](COC)NC[C@H](O)c1ccc(C)cc1 ZINC000863588952 589302821 /nfs/dbraw/zinc/30/28/21/589302821.db2.gz IQHPPEBIVROEHL-GJZGRUSLSA-N 0 3 247.338 1.656 20 30 BDEDHN C#CC[C@H](COC)NC[C@@H](O)Cc1ccccc1 ZINC000863589611 589302893 /nfs/dbraw/zinc/30/28/93/589302893.db2.gz SKBILMKXHVKJLK-CABCVRRESA-N 0 3 247.338 1.218 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)CC(O)(CC)CC ZINC000863621899 589305210 /nfs/dbraw/zinc/30/52/10/589305210.db2.gz CBNQJKGRXMIGFQ-UHFFFAOYSA-N 0 3 242.363 1.114 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2CNCCC2(F)F)o1 ZINC000863642035 589306532 /nfs/dbraw/zinc/30/65/32/589306532.db2.gz PCVMUSKPDMJBHS-SNVBAGLBSA-N 0 3 241.241 1.238 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC2(CC2)CC1 ZINC000863642570 589306670 /nfs/dbraw/zinc/30/66/70/589306670.db2.gz IWJWLLYALVEFGK-UHFFFAOYSA-N 0 3 236.359 1.897 20 30 BDEDHN CNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccncc1 ZINC000119589460 589310484 /nfs/dbraw/zinc/31/04/84/589310484.db2.gz JDLQHWALXJLPBS-MWLCHTKSSA-N 0 3 245.282 1.030 20 30 BDEDHN CN(C)[C@@H]1CCCN(C(=O)c2coc(C#N)c2)C1 ZINC000865129759 589410316 /nfs/dbraw/zinc/41/03/16/589410316.db2.gz XDLHAXZYRSVPOW-LLVKDONJSA-N 0 3 247.298 1.317 20 30 BDEDHN CCCN(CCN(C)C)C(=O)c1coc(C#N)c1 ZINC000865176443 589412714 /nfs/dbraw/zinc/41/27/14/589412714.db2.gz QNLZSVVGBAAIQT-UHFFFAOYSA-N 0 3 249.314 1.565 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865608601 589450787 /nfs/dbraw/zinc/45/07/87/589450787.db2.gz LRBIIXCDBIICJS-FZMZJTMJSA-N 0 3 247.342 1.899 20 30 BDEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cc[nH]n1)C2 ZINC000865847401 589464748 /nfs/dbraw/zinc/46/47/48/589464748.db2.gz DHOXVTBMXISGGT-CQSZACIVSA-N 0 3 238.294 1.538 20 30 BDEDHN C[C@H]1C[C@@H](NC(=O)c2coc(C#N)c2)CCN1C ZINC000866072252 589474922 /nfs/dbraw/zinc/47/49/22/589474922.db2.gz KCAVTJLAKQTIFI-ONGXEEELSA-N 0 3 247.298 1.364 20 30 BDEDHN Cn1ncc(C#N)c1N1CCN(C)C(C)(C)CC1 ZINC000866113315 589477369 /nfs/dbraw/zinc/47/73/69/589477369.db2.gz ZNVGZVHQDFYNAE-UHFFFAOYSA-N 0 3 247.346 1.212 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000869828717 589632274 /nfs/dbraw/zinc/63/22/74/589632274.db2.gz RIEOPHBJHMPOMR-MMWGEVLESA-N 0 3 236.315 1.154 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000870141547 589646046 /nfs/dbraw/zinc/64/60/46/589646046.db2.gz ZZQFOFVASALMRL-IYKVGLELSA-N 0 3 246.310 1.290 20 30 BDEDHN CC[C@@H](CN(C)C)OC(=O)[C@@H](C)CC#N ZINC000870549361 589673653 /nfs/dbraw/zinc/67/36/53/589673653.db2.gz XQGWDZPVMPKQGY-UWVGGRQHSA-N 0 3 212.293 1.420 20 30 BDEDHN C[C@@H](CC#N)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871158459 589741498 /nfs/dbraw/zinc/74/14/98/589741498.db2.gz COTJUNCIFXGIGZ-NSHDSACASA-N 0 3 237.347 1.479 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000871207880 589745149 /nfs/dbraw/zinc/74/51/49/589745149.db2.gz GTIOISHUXKBTTM-HTQZYQBOSA-N 0 3 236.237 1.171 20 30 BDEDHN CC(C#N)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000871580743 589769050 /nfs/dbraw/zinc/76/90/50/589769050.db2.gz WXMHRCBQYGUFOP-WDEREUQCSA-N 0 3 236.315 1.469 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871580741 589769351 /nfs/dbraw/zinc/76/93/51/589769351.db2.gz WXMHRCBQYGUFOP-QWRGUYRKSA-N 0 3 236.315 1.469 20 30 BDEDHN CC(C#N)C(=O)N1CCN(C)c2ncccc2C1 ZINC000872305476 589908288 /nfs/dbraw/zinc/90/82/88/589908288.db2.gz KVSXJXLNPPOZRI-JTQLQIEISA-N 0 3 244.298 1.020 20 30 BDEDHN CCNc1ccccc1C=NN1CCOCC1 ZINC000872327682 589913557 /nfs/dbraw/zinc/91/35/57/589913557.db2.gz JYHXDFKUWZAJIE-UHFFFAOYSA-N 0 3 233.315 1.785 20 30 BDEDHN CCC(=NNC1=N[C@H](C)CN1)[C@@H]1CCCOC1 ZINC000872364103 589920530 /nfs/dbraw/zinc/92/05/30/589920530.db2.gz CXKJIOQUXKLURP-NXEZZACHSA-N 0 3 238.335 1.116 20 30 BDEDHN CC(CCc1cccnc1)=NNC1=N[C@@H](C)CN1 ZINC000872364502 589920605 /nfs/dbraw/zinc/92/06/05/589920605.db2.gz MNAAKBQBUVXPJL-NSHDSACASA-N 0 3 245.330 1.327 20 30 BDEDHN Cn1[n-]ccc1=NN=C1CCC(C)([NH+](C)C)CC1 ZINC000872367215 589921723 /nfs/dbraw/zinc/92/17/23/589921723.db2.gz SIPQTVZTAFIPTF-UHFFFAOYSA-N 0 3 249.362 1.504 20 30 BDEDHN CN1CCc2cc(C=NN3CCC3)ccc21 ZINC000872397825 589934608 /nfs/dbraw/zinc/93/46/08/589934608.db2.gz XNHRJMXJDFYJBW-UHFFFAOYSA-N 0 3 215.300 1.719 20 30 BDEDHN Cc1cc(N=NC2CCN(C)[C@H](C)C2)nc(N)n1 ZINC000872420885 589937768 /nfs/dbraw/zinc/93/77/68/589937768.db2.gz ZYVADGHIMQJRQO-SECBINFHSA-N 0 3 248.334 1.249 20 30 BDEDHN C=C(Br)CN[C@H](C)[C@@H]1CCOC1 ZINC000125034429 590114830 /nfs/dbraw/zinc/11/48/30/590114830.db2.gz DTKNNJNPFBOSDW-RKDXNWHRSA-N 0 3 234.137 1.910 20 30 BDEDHN CSCC[C@H](C)NC(=O)C(C)C#N ZINC000125134406 590125543 /nfs/dbraw/zinc/12/55/43/590125543.db2.gz ZNHMQPSASUHHSH-YUMQZZPRSA-N 0 3 200.307 1.404 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CC12CCC2 ZINC000874779725 590131419 /nfs/dbraw/zinc/13/14/19/590131419.db2.gz ISYMPLZWAGOKAV-JTQLQIEISA-N 0 3 208.305 1.163 20 30 BDEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CCCCC#N ZINC000874825384 590141986 /nfs/dbraw/zinc/14/19/86/590141986.db2.gz PMYYTVFFESLLQH-STQMWFEESA-N 0 3 249.358 1.765 20 30 BDEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC1CC1 ZINC000874826412 590142238 /nfs/dbraw/zinc/14/22/38/590142238.db2.gz NXPAVOHKKWZZFF-CHWSQXEVSA-N 0 3 232.327 1.095 20 30 BDEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874825024 590142767 /nfs/dbraw/zinc/14/27/67/590142767.db2.gz ICVQGWYBMUSRBM-NEPJUHHUSA-N 0 3 236.359 1.894 20 30 BDEDHN C#CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874834464 590143366 /nfs/dbraw/zinc/14/33/66/590143366.db2.gz SUKXIXCGRMKRER-STQMWFEESA-N 0 3 248.370 1.731 20 30 BDEDHN CC#CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874834091 590143514 /nfs/dbraw/zinc/14/35/14/590143514.db2.gz PBRZNLPCKLZBRC-ZIAGYGMSSA-N 0 3 248.370 1.875 20 30 BDEDHN C#CCC(C)(C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874834462 590143567 /nfs/dbraw/zinc/14/35/67/590143567.db2.gz SUKXIXCGRMKRER-QWHCGFSZSA-N 0 3 248.370 1.731 20 30 BDEDHN C=CCN(C(=O)NC[C@H]1CCCN1C)C(C)C ZINC000875810270 590172707 /nfs/dbraw/zinc/17/27/07/590172707.db2.gz CLJSBWCKCBCCPC-GFCCVEGCSA-N 0 3 239.363 1.687 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ncc(C)s1 ZINC000876551120 590215322 /nfs/dbraw/zinc/21/53/22/590215322.db2.gz LDGAMSUBHSYHNJ-ZETCQYMHSA-N 0 3 245.735 1.860 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1CC ZINC000876557196 590215733 /nfs/dbraw/zinc/21/57/33/590215733.db2.gz CPFGWTMPVLJGHK-MRVPVSSYSA-N 0 3 242.710 1.311 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C(C)C)C1CC1 ZINC000876596586 590219676 /nfs/dbraw/zinc/21/96/76/590219676.db2.gz BLLIMFUVVMAUSX-JTQLQIEISA-N 0 3 230.739 1.856 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000876611323 590221801 /nfs/dbraw/zinc/22/18/01/590221801.db2.gz COXKHRMPTVWQMZ-UWVGGRQHSA-N 0 3 246.738 1.142 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C ZINC000876655490 590226083 /nfs/dbraw/zinc/22/60/83/590226083.db2.gz LVYLYYVVEBEBHO-IUCAKERBSA-N 0 3 216.712 1.467 20 30 BDEDHN C[C@@H](CCC#N)CN(C)[C@@H]1CCCCNC1=O ZINC000876654078 590226145 /nfs/dbraw/zinc/22/61/45/590226145.db2.gz YHOABBSIQSWNLK-NWDGAFQWSA-N 0 3 237.347 1.527 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C2CC2)CC1 ZINC000876668653 590228391 /nfs/dbraw/zinc/22/83/91/590228391.db2.gz MXQVMRDIHOEPNV-VIFPVBQESA-N 0 3 228.723 1.515 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C ZINC000876701381 590231819 /nfs/dbraw/zinc/23/18/19/590231819.db2.gz RQNCUCQGSHKHHQ-SFGNSQDASA-N 0 3 230.739 1.713 20 30 BDEDHN C#CCN(CC#CC)C[C@@H](C)CCC#N ZINC000876748631 590237581 /nfs/dbraw/zinc/23/75/81/590237581.db2.gz CCVAUOKSMGEWAT-ZDUSSCGKSA-N 0 3 202.301 1.885 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nn(C)cc1C ZINC000876980654 590264649 /nfs/dbraw/zinc/26/46/49/590264649.db2.gz HEKGLMPBSDCDMY-MRVPVSSYSA-N 0 3 242.710 1.137 20 30 BDEDHN CCCCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000876989244 590265542 /nfs/dbraw/zinc/26/55/42/590265542.db2.gz WHQDLUFZNJRDOL-JTQLQIEISA-N 0 3 241.335 1.177 20 30 BDEDHN C[C@H](NC1CC1)C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000877197243 590300214 /nfs/dbraw/zinc/30/02/14/590300214.db2.gz QCWROZSFMLKUBY-UMNHJUIQSA-N 0 3 235.331 1.278 20 30 BDEDHN CN[C@@H](C)C(=O)N(C)CCc1cccc(C#N)c1 ZINC000877223431 590301304 /nfs/dbraw/zinc/30/13/04/590301304.db2.gz HUGXHUCFQPZSGB-NSHDSACASA-N 0 3 245.326 1.167 20 30 BDEDHN CCNCC(=O)N(C)CCc1cccc(C#N)c1 ZINC000877223924 590301532 /nfs/dbraw/zinc/30/15/32/590301532.db2.gz QSBKJVALOKHXIL-UHFFFAOYSA-N 0 3 245.326 1.169 20 30 BDEDHN CCN[C@@H](C)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000877270209 590304827 /nfs/dbraw/zinc/30/48/27/590304827.db2.gz GHTDKJGGYLGGTC-VIFPVBQESA-N 0 3 247.298 1.503 20 30 BDEDHN COc1ccc(NC(=O)[C@H](N)C(C)C)cc1C#N ZINC000877272226 590305612 /nfs/dbraw/zinc/30/56/12/590305612.db2.gz SMTGOGISHKEWAH-GFCCVEGCSA-N 0 3 247.298 1.489 20 30 BDEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)CC ZINC000877304360 590310408 /nfs/dbraw/zinc/31/04/08/590310408.db2.gz YZMRNPCAUQUKCY-JTQLQIEISA-N 0 3 212.337 1.832 20 30 BDEDHN C=CC[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877338106 590318346 /nfs/dbraw/zinc/31/83/46/590318346.db2.gz XSANDKDPJXLYLW-GFCCVEGCSA-N 0 3 221.300 1.727 20 30 BDEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cn2)CS1 ZINC000877459056 590330128 /nfs/dbraw/zinc/33/01/28/590330128.db2.gz GDMHFAJYURPYRK-CABZTGNLSA-N 0 3 233.340 1.937 20 30 BDEDHN CC(=O)NCC1CCC(NCC2(C#N)CC2)CC1 ZINC000877493237 590340717 /nfs/dbraw/zinc/34/07/17/590340717.db2.gz BCTOTCXJRJZMAF-UHFFFAOYSA-N 0 3 249.358 1.575 20 30 BDEDHN C#C[C@H](CC)NC[C@@H](OC)C1CCOCC1 ZINC000877513204 590343419 /nfs/dbraw/zinc/34/34/19/590343419.db2.gz NYGHMYUKWMKWBT-CHWSQXEVSA-N 0 3 225.332 1.429 20 30 BDEDHN C#C[C@@H](C)NC[C@@H](Cc1ccccc1)OC ZINC000877514006 590345042 /nfs/dbraw/zinc/34/50/42/590345042.db2.gz GCIJDKQWQXGODH-TZMCWYRMSA-N 0 3 217.312 1.855 20 30 BDEDHN C#C[C@@H](N[C@@H](C)Cn1cncn1)C(C)(C)C ZINC000877534863 590349926 /nfs/dbraw/zinc/34/99/26/590349926.db2.gz PLSCXWAPRCYOFB-WDEREUQCSA-N 0 3 220.320 1.304 20 30 BDEDHN C#C[C@H](N[C@@H](C)Cn1cncn1)C(C)(C)C ZINC000877534862 590350427 /nfs/dbraw/zinc/35/04/27/590350427.db2.gz PLSCXWAPRCYOFB-QWRGUYRKSA-N 0 3 220.320 1.304 20 30 BDEDHN C#Cc1cccc(CN[C@H]2CCCNC(=O)C2)c1 ZINC000877575158 590362973 /nfs/dbraw/zinc/36/29/73/590362973.db2.gz JAYYLTWMQNJCRQ-AWEZNQCLSA-N 0 3 242.322 1.426 20 30 BDEDHN C#CCCCCCCN1CC(C)(CO)C1 ZINC000877581657 590365436 /nfs/dbraw/zinc/36/54/36/590365436.db2.gz NBWLNFQSGXHJSW-UHFFFAOYSA-N 0 3 209.333 1.884 20 30 BDEDHN CCn1nc(C)c(CNC2CCC(C#N)CC2)n1 ZINC000877598142 590370909 /nfs/dbraw/zinc/37/09/09/590370909.db2.gz JFROEPYXQHQFRF-UHFFFAOYSA-N 0 3 247.346 1.778 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cc(C)ns1 ZINC000877661399 590387779 /nfs/dbraw/zinc/38/77/79/590387779.db2.gz BLVLVTUIJBEUMK-LLVKDONJSA-N 0 3 238.356 1.970 20 30 BDEDHN C#CCCCCCCN1CCSC[C@H]1CO ZINC000877780399 590423292 /nfs/dbraw/zinc/42/32/92/590423292.db2.gz PGXXTEOOUCIDRK-CYBMUJFWSA-N 0 3 241.400 1.980 20 30 BDEDHN C=CC[C@@H](C)N1CCN(Cc2cnn(C)c2)CC1 ZINC000878078439 590488050 /nfs/dbraw/zinc/48/80/50/590488050.db2.gz BQYVOOVLBSPTSA-CYBMUJFWSA-N 0 3 248.374 1.502 20 30 BDEDHN C#CCN(CC)C[C@H]1CC2(CO1)CCOCC2 ZINC000878167256 590513616 /nfs/dbraw/zinc/51/36/16/590513616.db2.gz QZVLYUHWMOHRHI-CYBMUJFWSA-N 0 3 237.343 1.527 20 30 BDEDHN C=CC[C@H](C)N1CCN2C(=O)OC[C@H]2C1 ZINC000878194329 590521821 /nfs/dbraw/zinc/52/18/21/590521821.db2.gz GXQHSHJULXSNCL-VHSXEESVSA-N 0 3 210.277 1.087 20 30 BDEDHN C#CCCN1CCN(C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878312998 590540544 /nfs/dbraw/zinc/54/05/44/590540544.db2.gz SFAMWZSTXNSAAL-OKILXGFUSA-N 0 3 236.359 1.052 20 30 BDEDHN C=C/C=C/CCN1CCN(CCC#N)CC1 ZINC000878311986 590541054 /nfs/dbraw/zinc/54/10/54/590541054.db2.gz DCQPFQFXWVRUPE-ONEGZZNKSA-N 0 3 219.332 1.650 20 30 BDEDHN N#CCCN1CCN(CCCC2CC2)CC1 ZINC000878312215 590541312 /nfs/dbraw/zinc/54/13/12/590541312.db2.gz IRZSKHOIAJWKEH-UHFFFAOYSA-N 0 3 221.348 1.708 20 30 BDEDHN C[C@H]1CCOCCN1CC1(CC#N)CC1 ZINC000878372409 590555655 /nfs/dbraw/zinc/55/56/55/590555655.db2.gz AUNRJCZABOFQBZ-NSHDSACASA-N 0 3 208.305 1.791 20 30 BDEDHN C=C(C)CN(C)C[C@H](O)CC(C)(C)O ZINC000878382420 590556631 /nfs/dbraw/zinc/55/66/31/590556631.db2.gz BRQNVUXUQGCWSV-SNVBAGLBSA-N 0 3 201.310 1.016 20 30 BDEDHN C#C[C@@H](NCC1(CC#N)CC1)[C@@H]1CCCO1 ZINC000878452921 590569329 /nfs/dbraw/zinc/56/93/29/590569329.db2.gz FGZLZKDROUMEAD-NEPJUHHUSA-N 0 3 218.300 1.451 20 30 BDEDHN C#CCCCCCN1CCC[C@@]12CCOC2=O ZINC000878464247 590571675 /nfs/dbraw/zinc/57/16/75/590571675.db2.gz SPRGPSCMPXJWSO-AWEZNQCLSA-N 0 3 235.327 1.962 20 30 BDEDHN C#CC(C)(C)N(C)C[C@H](O)CC1(O)CCCC1 ZINC000878513859 590584821 /nfs/dbraw/zinc/58/48/21/590584821.db2.gz JGVPWYVMEFDQGQ-GFCCVEGCSA-N 0 3 239.359 1.386 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878517978 590585193 /nfs/dbraw/zinc/58/51/93/590585193.db2.gz XESGXEAAWFUTAG-NEPJUHHUSA-N 0 3 207.317 1.899 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878517357 590585762 /nfs/dbraw/zinc/58/57/62/590585762.db2.gz QPMXRJXFJYRGAQ-OLZOCXBDSA-N 0 3 239.359 1.386 20 30 BDEDHN C#C[C@H](C)N(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878517980 590585838 /nfs/dbraw/zinc/58/58/38/590585838.db2.gz XESGXEAAWFUTAG-RYUDHWBXSA-N 0 3 207.317 1.899 20 30 BDEDHN C=CC[C@H](C)N(C)[C@@H]1CCN(CC=C)C1=O ZINC000878550572 590590622 /nfs/dbraw/zinc/59/06/22/590590622.db2.gz YPYMLUURIXQFHZ-NWDGAFQWSA-N 0 3 222.332 1.670 20 30 BDEDHN C#C[C@](C)(CC)NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878661185 590604807 /nfs/dbraw/zinc/60/48/07/590604807.db2.gz ZNVARMBJPDIJJR-BFHYXJOUSA-N 0 3 239.359 1.290 20 30 BDEDHN C=CC[C@H](C)N[C@@H](CO)c1ccnn1C ZINC000878703504 590612411 /nfs/dbraw/zinc/61/24/11/590612411.db2.gz WYKDWKUTANDKNQ-UWVGGRQHSA-N 0 3 209.293 1.008 20 30 BDEDHN C#CCCCN1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000878752819 590618414 /nfs/dbraw/zinc/61/84/14/590618414.db2.gz TWEFPQSKLDIRQL-QJPTWQEYSA-N 0 3 222.332 1.339 20 30 BDEDHN C#CC1CCN(CCc2cnccn2)CC1 ZINC000878763936 590620005 /nfs/dbraw/zinc/62/00/05/590620005.db2.gz PYZXDMFCPBUWGB-UHFFFAOYSA-N 0 3 215.300 1.364 20 30 BDEDHN C#CCOCCN1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000878835328 590630608 /nfs/dbraw/zinc/63/06/08/590630608.db2.gz DJEKGSVLSFNTED-BETUJISGSA-N 0 3 224.348 1.051 20 30 BDEDHN C#C[C@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000878843396 590631243 /nfs/dbraw/zinc/63/12/43/590631243.db2.gz CCIHDWVNCRGOIU-RYUDHWBXSA-N 0 3 230.315 1.111 20 30 BDEDHN C#CCCCN1CCC[C@H](c2nnc(N)o2)C1 ZINC000878947375 590658394 /nfs/dbraw/zinc/65/83/94/590658394.db2.gz WOKUQTGHJGMWKU-JTQLQIEISA-N 0 3 234.303 1.245 20 30 BDEDHN C#CCCN(CCOC)C[C@@H]1CC(C)(C)CO1 ZINC000878998672 590673859 /nfs/dbraw/zinc/67/38/59/590673859.db2.gz UIEUPUOQMGDVQM-ZDUSSCGKSA-N 0 3 239.359 1.773 20 30 BDEDHN C#CCCCCCN1CCO[C@](C)(COC)C1 ZINC000879065845 590690976 /nfs/dbraw/zinc/69/09/76/590690976.db2.gz IUZFEKPUSUWZKD-AWEZNQCLSA-N 0 3 239.359 1.917 20 30 BDEDHN C#CCCN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879129833 590699674 /nfs/dbraw/zinc/69/96/74/590699674.db2.gz MZOHSZQKRORWPH-ZIAGYGMSSA-N 0 3 231.295 1.134 20 30 BDEDHN C=CCN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879517895 590787041 /nfs/dbraw/zinc/78/70/41/590787041.db2.gz CZQAJDHOOPFLOQ-AWEZNQCLSA-N 0 3 232.327 1.828 20 30 BDEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000879684598 590846587 /nfs/dbraw/zinc/84/65/87/590846587.db2.gz KUTHKAIWTUDQJV-WDEREUQCSA-N 0 3 223.320 1.398 20 30 BDEDHN C#CCNC(=O)CN1CC[C@@]1(C)C1CCCCC1 ZINC000879786991 590869452 /nfs/dbraw/zinc/86/94/52/590869452.db2.gz BZRDIWFNTQBDDC-HNNXBMFYSA-N 0 3 248.370 1.781 20 30 BDEDHN CONC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000879924515 590889197 /nfs/dbraw/zinc/88/91/97/590889197.db2.gz QGZBAXFJWFNVBH-SNVBAGLBSA-N 0 3 239.319 1.068 20 30 BDEDHN CO[N-]C(=O)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000879924515 590889200 /nfs/dbraw/zinc/88/92/00/590889200.db2.gz QGZBAXFJWFNVBH-SNVBAGLBSA-N 0 3 239.319 1.068 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)C(C)(C)C ZINC000880077462 590920652 /nfs/dbraw/zinc/92/06/52/590920652.db2.gz IPWINJSCMNGEQA-VXGBXAGGSA-N 0 3 238.375 1.738 20 30 BDEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](CF)C1 ZINC000880291151 590985364 /nfs/dbraw/zinc/98/53/64/590985364.db2.gz BYUNGAGTSMATMP-GHMZBOCLSA-N 0 3 241.310 1.038 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000888806990 590996033 /nfs/dbraw/zinc/99/60/33/590996033.db2.gz LXTJIODIBGEDHC-RKDXNWHRSA-N 0 3 226.345 1.936 20 30 BDEDHN C#CCCN[C@@]1(CO)CCc2c1cccc2OC ZINC000880384579 591018420 /nfs/dbraw/zinc/01/84/20/591018420.db2.gz SFSWRKJXZIUUMR-OAHLLOKOSA-N 0 3 245.322 1.442 20 30 BDEDHN C=CCCCCN(CC(N)=O)C1CCOCC1 ZINC000880395004 591019433 /nfs/dbraw/zinc/01/94/33/591019433.db2.gz BVLORFALTWHPAY-UHFFFAOYSA-N 0 3 240.347 1.309 20 30 BDEDHN C#CCC1(O)CCN(C[C@@H]2CCCO2)CC1 ZINC000880477451 591054925 /nfs/dbraw/zinc/05/49/25/591054925.db2.gz HPNOQBMOMZDTDD-LBPRGKRZSA-N 0 3 223.316 1.016 20 30 BDEDHN C#CCC1(O)CCN([C@@H](C)c2ccccn2)CC1 ZINC000880480773 591055464 /nfs/dbraw/zinc/05/54/64/591055464.db2.gz GAGWVAMIBOLJMA-ZDUSSCGKSA-N 0 3 244.338 1.993 20 30 BDEDHN CC(C#N)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880612902 591110857 /nfs/dbraw/zinc/11/08/57/591110857.db2.gz LQPMTMURDMWYNX-MNOVXSKESA-N 0 3 237.347 1.335 20 30 BDEDHN C#CCSCCNCc1cn(C)nc1CC ZINC000128738816 591158122 /nfs/dbraw/zinc/15/81/22/591158122.db2.gz BUGPVHNMNONATI-UHFFFAOYSA-N 0 3 237.372 1.439 20 30 BDEDHN C[C@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000881303619 591185290 /nfs/dbraw/zinc/18/52/90/591185290.db2.gz GNOCSPXAEYNDAY-UWVGGRQHSA-N 0 3 241.298 1.779 20 30 BDEDHN C[C@H](c1cccc(C#N)c1)n1cc([C@H](C)N)nn1 ZINC000881340793 591193943 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C=CCN(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886145266 592162606 /nfs/dbraw/zinc/16/26/06/592162606.db2.gz SMKQBEXDPIIOGM-LLVKDONJSA-N 0 3 208.305 1.549 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1[nH]nc(C)c1C ZINC000886172946 592169601 /nfs/dbraw/zinc/16/96/01/592169601.db2.gz ARHOSVTZHMOCCP-LBPRGKRZSA-N 0 3 235.331 1.545 20 30 BDEDHN C#CCN1CCC[C@H](NCc2ccnn2CC)C1 ZINC000886211277 592177450 /nfs/dbraw/zinc/17/74/50/592177450.db2.gz MEOOTVVKKDSUGZ-ZDUSSCGKSA-N 0 3 246.358 1.090 20 30 BDEDHN COC[C@@H]1CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886217959 592179141 /nfs/dbraw/zinc/17/91/41/592179141.db2.gz LEFIKTOSVAOZNZ-RYUDHWBXSA-N 0 3 238.331 1.152 20 30 BDEDHN CC[C@H](CC#N)NC[C@@H]1C[C@]12CCOC2 ZINC000886241184 592182945 /nfs/dbraw/zinc/18/29/45/592182945.db2.gz QBKFLAWYYXSUMX-TUAOUCFPSA-N 0 3 208.305 1.695 20 30 BDEDHN C#CC[C@H]1CCN([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000886356306 592216133 /nfs/dbraw/zinc/21/61/33/592216133.db2.gz XUOGLLVCSRIPTO-NEPJUHHUSA-N 0 3 236.359 1.635 20 30 BDEDHN 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/nfs/dbraw/zinc/95/39/72/979953972.db2.gz WQVDEGZSGGEFEY-NSHDSACASA-N 0 3 237.347 1.560 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N(CC)C1CC1 ZINC001343116796 980011296 /nfs/dbraw/zinc/01/12/96/980011296.db2.gz QZFDQILZIIYYOM-NSHDSACASA-N 0 3 210.321 1.681 20 30 BDEDHN N#CC(C(=O)C1=CCOCC1)c1ccccn1 ZINC001343469741 980119181 /nfs/dbraw/zinc/11/91/81/980119181.db2.gz HXUPSCAUQIABLQ-LLVKDONJSA-N 0 3 228.251 1.605 20 30 BDEDHN Cn1ccnc1C(C#N)C(=O)C1(C)CCOCC1 ZINC001343715458 980215915 /nfs/dbraw/zinc/21/59/15/980215915.db2.gz DFMTWUCNKREEND-JTQLQIEISA-N 0 3 247.298 1.413 20 30 BDEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001185531938 980245461 /nfs/dbraw/zinc/24/54/61/980245461.db2.gz UWNXHELHAKQDKA-MGPQQGTHSA-N 0 3 248.370 1.636 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N1CC2CC1(C)C2 ZINC001344092015 980345726 /nfs/dbraw/zinc/34/57/26/980345726.db2.gz HABPGHNCRPFQDO-AKJDGMEZSA-N 0 3 222.332 1.681 20 30 BDEDHN CCn1ccnc1C(C#N)C(=O)CCOC(C)C ZINC001344322761 980368909 /nfs/dbraw/zinc/36/89/09/980368909.db2.gz XEYRNVWUBWRDPS-LLVKDONJSA-N 0 3 249.314 1.894 20 30 BDEDHN CCn1ccnc1C(C#N)C(=O)C1=COCCC1 ZINC001344325671 980369222 /nfs/dbraw/zinc/36/92/22/980369222.db2.gz BLBBDZNDEHMJQW-NSHDSACASA-N 0 3 245.282 1.774 20 30 BDEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001186637725 980426224 /nfs/dbraw/zinc/42/62/24/980426224.db2.gz CIWCZMINOUADSG-CHWSQXEVSA-N 0 3 236.359 1.492 20 30 BDEDHN CCCCCCCN(C)S(=O)(=O)CCN ZINC001239084072 980449993 /nfs/dbraw/zinc/44/99/93/980449993.db2.gz RSGNBLSKLJNGQD-UHFFFAOYSA-N 0 3 236.381 1.177 20 30 BDEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001188173107 980611204 /nfs/dbraw/zinc/61/12/04/980611204.db2.gz VWOXEKKSASNYJF-GXTWGEPZSA-N 0 3 248.370 1.636 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001345466148 980615357 /nfs/dbraw/zinc/61/53/57/980615357.db2.gz LPSRDOJPQHEACW-ZRUFSTJUSA-N 0 3 242.750 1.761 20 30 BDEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCC(=O)C1 ZINC001346096890 980755141 /nfs/dbraw/zinc/75/51/41/980755141.db2.gz VOSSSBMCPWJMDK-KOLCDFICSA-N 0 3 245.282 1.448 20 30 BDEDHN C=CCN(C)[C@H]1CCN(C(=O)COCCC)C1 ZINC001189231461 980763214 /nfs/dbraw/zinc/76/32/14/980763214.db2.gz GGTNYPGIIFISAB-LBPRGKRZSA-N 0 3 240.347 1.132 20 30 BDEDHN C#CCN1CCC(C(=O)NC/C=C\C2CC2)CC1 ZINC001347812593 981183265 /nfs/dbraw/zinc/18/32/65/981183265.db2.gz DZZRDJMGECLWOL-ARJAWSKDSA-N 0 3 246.354 1.414 20 30 BDEDHN C=CCN1CCC[C@H]1CNC(=O)OCCC ZINC001194143257 981594172 /nfs/dbraw/zinc/59/41/72/981594172.db2.gz MEDVKNZXKAKRSN-NSHDSACASA-N 0 3 226.320 1.773 20 30 BDEDHN C=CCO[N-]C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001349919001 981814927 /nfs/dbraw/zinc/81/49/27/981814927.db2.gz FFNGEPLHCMLSDJ-TUAOUCFPSA-N 0 3 238.331 1.341 20 30 BDEDHN C=CCO[N-]C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001349919001 981814922 /nfs/dbraw/zinc/81/49/22/981814922.db2.gz FFNGEPLHCMLSDJ-TUAOUCFPSA-N 0 3 238.331 1.341 20 30 BDEDHN C#CCCN1CCCN(C(=O)CCC=C)CC1 ZINC001195224971 982158582 /nfs/dbraw/zinc/15/85/82/982158582.db2.gz AFYOLZZIAFOHOP-UHFFFAOYSA-N 0 3 234.343 1.510 20 30 BDEDHN C=CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588609767 982351923 /nfs/dbraw/zinc/35/19/23/982351923.db2.gz UHRFKLMWMZXKOJ-UHFFFAOYSA-N 0 3 247.277 1.672 20 30 BDEDHN C=CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588609767 982351933 /nfs/dbraw/zinc/35/19/33/982351933.db2.gz UHRFKLMWMZXKOJ-UHFFFAOYSA-N 0 3 247.277 1.672 20 30 BDEDHN CC#CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001196554219 982475101 /nfs/dbraw/zinc/47/51/01/982475101.db2.gz OXVUQQJTCNOTBI-HOTGVXAUSA-N 0 3 240.350 1.968 20 30 BDEDHN CN1CC=C(c2ccc(CC#N)nc2)CC1 ZINC001241322204 982481178 /nfs/dbraw/zinc/48/11/78/982481178.db2.gz KABHAIFQKLUDGD-UHFFFAOYSA-N 0 3 213.284 1.867 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C=CCCC1 ZINC001352848709 982600026 /nfs/dbraw/zinc/60/00/26/982600026.db2.gz CEJYIPGTTUEXRD-UWVGGRQHSA-N 0 3 228.723 1.681 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C=CCCC1 ZINC001352848710 982600142 /nfs/dbraw/zinc/60/01/42/982600142.db2.gz CEJYIPGTTUEXRD-VHSXEESVSA-N 0 3 228.723 1.681 20 30 BDEDHN C=CCO[C@@H]1CCN(CCc2cnccn2)C1 ZINC001352889026 982616582 /nfs/dbraw/zinc/61/65/82/982616582.db2.gz BNBRWXHRJBJHSA-CYBMUJFWSA-N 0 3 233.315 1.296 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N(C)c1nccs1 ZINC001353182001 982752732 /nfs/dbraw/zinc/75/27/32/982752732.db2.gz HAGFJNPURVXTQQ-SECBINFHSA-N 0 3 239.344 1.790 20 30 BDEDHN C#CCOC[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC001251850942 982878130 /nfs/dbraw/zinc/87/81/30/982878130.db2.gz AJNNVGODGJKKGZ-HUUCEWRRSA-N 0 3 245.322 1.444 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC001353612754 982921345 /nfs/dbraw/zinc/92/13/45/982921345.db2.gz GHOOTQUVVUUUPT-SRVKXCTJSA-N 0 3 240.347 1.306 20 30 BDEDHN C#CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001251888029 982934636 /nfs/dbraw/zinc/93/46/36/982934636.db2.gz NBCPUQGZYUHSQQ-RYUDHWBXSA-N 0 3 249.310 1.054 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)N[C@]12C[C@H]1CCC2 ZINC001355279051 983459382 /nfs/dbraw/zinc/45/93/82/983459382.db2.gz HRWJVHVMNFJSMC-CKYFFXLPSA-N 0 3 221.304 1.066 20 30 BDEDHN C=CC(C)(C)NCc1c(C)cnn1COC ZINC001355373498 983481837 /nfs/dbraw/zinc/48/18/37/983481837.db2.gz MVUFAZIZUBXBCS-UHFFFAOYSA-N 0 3 223.320 1.850 20 30 BDEDHN N#Cc1cncc(-c2cc3c(nn2)CCNC3)c1 ZINC001242271997 983493279 /nfs/dbraw/zinc/49/32/79/983493279.db2.gz NEYXUDZJALLKPW-UHFFFAOYSA-N 0 3 237.266 1.056 20 30 BDEDHN C#Cc1ccc(-c2ncc3c(n2)CNCC3)cc1 ZINC001242291993 983515475 /nfs/dbraw/zinc/51/54/75/983515475.db2.gz JSTMDBDJQLQPIW-UHFFFAOYSA-N 0 3 235.290 1.771 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N1CCOCC[C@H]1C ZINC001355546241 983520362 /nfs/dbraw/zinc/52/03/62/983520362.db2.gz GVMGBYOHFVAZRP-VXGBXAGGSA-N 0 3 240.347 1.307 20 30 BDEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)[C@H](N)CCCC#N ZINC000717082734 983735621 /nfs/dbraw/zinc/73/56/21/983735621.db2.gz XDCVGLOQYCMBRK-UJPOAAIJSA-N 0 3 249.358 1.416 20 30 BDEDHN C=CCOC[C@@H](O)CN(C)C1CC(F)(F)C1 ZINC001252452715 983781317 /nfs/dbraw/zinc/78/13/17/983781317.db2.gz APXJKCPQXQITRR-JTQLQIEISA-N 0 3 235.274 1.279 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC001357765940 983778419 /nfs/dbraw/zinc/77/84/19/983778419.db2.gz QFVFJQKLBCUFOK-ZJUUUORDSA-N 0 3 228.361 1.292 20 30 BDEDHN C=CCOC[C@@H](O)CNc1cc(C)cc(C)n1 ZINC001252453965 983783756 /nfs/dbraw/zinc/78/37/56/983783756.db2.gz WWTYWIXRRJZVAO-LBPRGKRZSA-N 0 3 236.315 1.674 20 30 BDEDHN C=CCOC[C@H](O)CN1CCC(F)(F)[C@@H](C)C1 ZINC001252460696 983787574 /nfs/dbraw/zinc/78/75/74/983787574.db2.gz GVKFOVSIYHGMED-WDEREUQCSA-N 0 3 249.301 1.527 20 30 BDEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001357874441 983800125 /nfs/dbraw/zinc/80/01/25/983800125.db2.gz OTPHYCXXDIZQBL-UTUOFQBUSA-N 0 3 222.332 1.538 20 30 BDEDHN C=C[C@](C)(O)CNCc1cccnc1Cl ZINC001252574995 983829710 /nfs/dbraw/zinc/82/97/10/983829710.db2.gz UDKTZCXQJZLLLN-NSHDSACASA-N 0 3 226.707 1.762 20 30 BDEDHN CC(C)(/C=C\Cl)NC(=O)[C@@H](N)CCCC#N ZINC001358171248 983834463 /nfs/dbraw/zinc/83/44/63/983834463.db2.gz SKNKPYROGMJERV-NMTCXDENSA-N 0 3 243.738 1.655 20 30 BDEDHN C=CCC[C@H](O)CNCC(=O)Nc1ccccc1 ZINC001252617213 983851513 /nfs/dbraw/zinc/85/15/13/983851513.db2.gz ALDNBYWHMCLSBS-ZDUSSCGKSA-N 0 3 248.326 1.542 20 30 BDEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc[nH]1 ZINC001568505667 984016993 /nfs/dbraw/zinc/01/69/93/984016993.db2.gz ABIYRAMVUREAKP-UHFFFAOYSA-N 0 3 249.358 1.524 20 30 BDEDHN C=C(C)C[C@H](N)C(=O)NCCc1ccco1 ZINC001574066886 984057815 /nfs/dbraw/zinc/05/78/15/984057815.db2.gz CJZOMHCXHLQBPC-NSHDSACASA-N 0 3 222.288 1.232 20 30 BDEDHN C#CCNC/C=C/CNC(=O)[C@H](C)C(C)(C)C ZINC001274125436 984262938 /nfs/dbraw/zinc/26/29/38/984262938.db2.gz PUIIKIOVYFPASQ-GUOLPTJISA-N 0 3 236.359 1.564 20 30 BDEDHN C#CCNC/C=C\CNC(=O)[C@H](C)C(C)(C)C ZINC001274125437 984264426 /nfs/dbraw/zinc/26/44/26/984264426.db2.gz PUIIKIOVYFPASQ-KRZKBDHCSA-N 0 3 236.359 1.564 20 30 BDEDHN C=CCN(C)C[C@H](C)NC(=O)COCCC ZINC001275512829 984590163 /nfs/dbraw/zinc/59/01/63/984590163.db2.gz MXJMZZMMMSHEGS-NSHDSACASA-N 0 3 228.336 1.036 20 30 BDEDHN C=CCN(C)C[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC001275535080 984603314 /nfs/dbraw/zinc/60/33/14/984603314.db2.gz KINRDWDFEROGPX-SECBINFHSA-N 0 3 246.301 1.654 20 30 BDEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C=C(C)C ZINC001276276294 984840497 /nfs/dbraw/zinc/84/04/97/984840497.db2.gz AABRRDYLGKVDHM-CQSZACIVSA-N 0 3 248.370 1.947 20 30 BDEDHN CCC1(O)CCN(CCO[C@H](C)C#N)CC1 ZINC000685989490 985026939 /nfs/dbraw/zinc/02/69/39/985026939.db2.gz PXSGRBOWRWOUNM-LLVKDONJSA-N 0 3 226.320 1.152 20 30 BDEDHN N#Cc1cc(-c2cccc(CN)n2)ccc1N ZINC001244112622 985820840 /nfs/dbraw/zinc/82/08/40/985820840.db2.gz LAVSSJWQOXPKJV-UHFFFAOYSA-N 0 3 224.267 1.661 20 30 BDEDHN C=CCC[C@H](C)N1CC(N(C)[C@@H]2CCOC2)C1 ZINC001258735539 986101160 /nfs/dbraw/zinc/10/11/60/986101160.db2.gz VQMJZMSCJUCXLN-QWHCGFSZSA-N 0 3 238.375 1.746 20 30 BDEDHN C=C[C@@H](O)CN1CCC(=O)[C@H](C)C12CCCC2 ZINC001253588178 986176223 /nfs/dbraw/zinc/17/62/23/986176223.db2.gz TZRHTZNUQJPDSY-NWDGAFQWSA-N 0 3 237.343 1.757 20 30 BDEDHN COCC(C)(C)CNCC1(C#N)CCOCC1 ZINC001461815196 986180912 /nfs/dbraw/zinc/18/09/12/986180912.db2.gz VTPCRBFVFRYIOG-UHFFFAOYSA-N 0 3 240.347 1.569 20 30 BDEDHN Cc1ccc(SC[C@@H]2CNCCO2)c(C#N)c1 ZINC001579735257 986202818 /nfs/dbraw/zinc/20/28/18/986202818.db2.gz JDRFOXZBJVCVMV-LBPRGKRZSA-N 0 3 248.351 1.947 20 30 BDEDHN C=C[C@@H](O)CN[C@H](C)c1ccccc1OC ZINC001253597472 986223965 /nfs/dbraw/zinc/22/39/65/986223965.db2.gz FUVYEISPYCWBIN-GHMZBOCLSA-N 0 3 221.300 1.893 20 30 BDEDHN C=C[C@H](O)CN[C@H]1CCOc2c(F)cccc21 ZINC001253601248 986247490 /nfs/dbraw/zinc/24/74/90/986247490.db2.gz NLVOTCQIKTXRBI-CABZTGNLSA-N 0 3 237.274 1.786 20 30 BDEDHN C=C[C@@H](O)CNCc1cccc(F)c1F ZINC001253603310 986256392 /nfs/dbraw/zinc/25/63/92/986256392.db2.gz UYCBUTHRWLGIEX-SECBINFHSA-N 0 3 213.227 1.601 20 30 BDEDHN C=C[C@H](O)CNCc1cccc(F)c1F ZINC001253603311 986257565 /nfs/dbraw/zinc/25/75/65/986257565.db2.gz 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243.310 1.566 20 30 BDEDHN C[C@H]1CCN(Cc2ccc(C#N)nc2)CC[C@@H]1O ZINC001140539858 991665597 /nfs/dbraw/zinc/66/55/97/991665597.db2.gz BPHQONZKUYLSCB-FZMZJTMJSA-N 0 3 245.326 1.546 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)CC(F)(F)F ZINC001567001739 991903166 /nfs/dbraw/zinc/90/31/66/991903166.db2.gz FUZPCTFWFTXYCD-MRVPVSSYSA-N 0 3 236.237 1.056 20 30 BDEDHN C#CCCN(C)CCNC(=O)C[C@@H](C)SC ZINC001567277704 991994456 /nfs/dbraw/zinc/99/44/56/991994456.db2.gz LJWUAHBLYDNHLW-LLVKDONJSA-N 0 3 242.388 1.199 20 30 BDEDHN C#CCCN(C)CCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001567299473 992010237 /nfs/dbraw/zinc/01/02/37/992010237.db2.gz DXNJTJBWRXLTRT-VXGBXAGGSA-N 0 3 240.322 1.196 20 30 BDEDHN C=CCN(C)CCNC(=O)COc1ccccc1 ZINC001567316046 992015743 /nfs/dbraw/zinc/01/57/43/992015743.db2.gz KKFCNRIESSGKTM-UHFFFAOYSA-N 0 3 248.326 1.299 20 30 BDEDHN C=C(Cl)CN[C@H](CNC(C)=O)C(C)C ZINC001319891871 992023044 /nfs/dbraw/zinc/02/30/44/992023044.db2.gz YYRGAAZEKCTUGC-SNVBAGLBSA-N 0 3 218.728 1.489 20 30 BDEDHN CC#CCN(CCC)CCNC(=O)[C@H]1C[C@@H]1C ZINC001567422344 992032227 /nfs/dbraw/zinc/03/22/27/992032227.db2.gz XXFYVXUWHNTGGT-STQMWFEESA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(CCC)CCNC(=O)c1ccoc1C ZINC001567421819 992034158 /nfs/dbraw/zinc/03/41/58/992034158.db2.gz FJLMLZZRCRFSHE-UHFFFAOYSA-N 0 3 248.326 1.663 20 30 BDEDHN C#CCN(CCC)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001567422007 992036396 /nfs/dbraw/zinc/03/63/96/992036396.db2.gz LUSDXGVQEMLHCH-NWDGAFQWSA-N 0 3 222.332 1.104 20 30 BDEDHN CC#CCCCC(=O)N(C)CCNCCF ZINC001567547192 992058089 /nfs/dbraw/zinc/05/80/89/992058089.db2.gz RIOYJMHDSHTXRY-UHFFFAOYSA-N 0 3 228.311 1.198 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC)SC ZINC001568479071 992169284 /nfs/dbraw/zinc/16/92/84/992169284.db2.gz OPHHKMALGRVBBP-NSHDSACASA-N 0 3 244.404 1.704 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)c1cncs1 ZINC001568476013 992174464 /nfs/dbraw/zinc/17/44/64/992174464.db2.gz LPBCCXDUXHRIRU-UHFFFAOYSA-N 0 3 239.344 1.333 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)c1ccccc1 ZINC001568473402 992175176 /nfs/dbraw/zinc/17/51/76/992175176.db2.gz YKRZRESUKFPLDQ-UHFFFAOYSA-N 0 3 232.327 1.876 20 30 BDEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)OC ZINC001568608973 992198476 /nfs/dbraw/zinc/19/84/76/992198476.db2.gz OEQUBBKYPYXDNT-UWVGGRQHSA-N 0 3 248.754 1.258 20 30 BDEDHN C#CCNCCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001568754338 992217823 /nfs/dbraw/zinc/21/78/23/992217823.db2.gz VJXZUBYCHBTDPG-MJBXVCDLSA-N 0 3 248.370 1.494 20 30 BDEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001568927712 992239569 /nfs/dbraw/zinc/23/95/69/992239569.db2.gz APXJSAQRCBEVBL-MEWZEZIVSA-N 0 3 248.370 1.708 20 30 BDEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCCF ZINC001568996912 992264171 /nfs/dbraw/zinc/26/41/71/992264171.db2.gz YGBLPQMTOHVEIO-SNVBAGLBSA-N 0 3 230.327 1.653 20 30 BDEDHN CC[C@@H](F)CNC[C@H](C)NC(=O)C#CC(C)C ZINC001569056261 992291395 /nfs/dbraw/zinc/29/13/95/992291395.db2.gz UYVCVPUALFPZRU-NWDGAFQWSA-N 0 3 242.338 1.488 20 30 BDEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)CSC ZINC001569108383 992315345 /nfs/dbraw/zinc/31/53/45/992315345.db2.gz ICDJDVSYEGKFTL-GHMZBOCLSA-N 0 3 244.404 1.608 20 30 BDEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)OC ZINC001569349835 992365696 /nfs/dbraw/zinc/36/56/96/992365696.db2.gz ZXPSPDRFEATWMB-VXGBXAGGSA-N 0 3 240.347 1.178 20 30 BDEDHN CC#CCNC1(CNC(=O)c2ccoc2)CC1 ZINC001569391502 992380829 /nfs/dbraw/zinc/38/08/29/992380829.db2.gz KBUSDYANRPJNOO-UHFFFAOYSA-N 0 3 232.283 1.155 20 30 BDEDHN C#CCNC1(CNC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001569409622 992386714 /nfs/dbraw/zinc/38/67/14/992386714.db2.gz HJHUTGMMJWAAEV-STQMWFEESA-N 0 3 246.354 1.294 20 30 BDEDHN C#Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1 ZINC001573306055 992456551 /nfs/dbraw/zinc/45/65/51/992456551.db2.gz GPAJWKXPOBPXHE-ZDUSSCGKSA-N 0 3 230.311 1.980 20 30 BDEDHN C#CCN1CC[C@@H](NC(=O)CCC=C)C[C@@H]1C ZINC001570430271 992468472 /nfs/dbraw/zinc/46/84/72/992468472.db2.gz BATPMJSYOMKOMC-QWHCGFSZSA-N 0 3 234.343 1.555 20 30 BDEDHN C#CC[NH2+][C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001570454096 992471082 /nfs/dbraw/zinc/47/10/82/992471082.db2.gz SMMOJNQBBJZPDM-NSHDSACASA-N 0 3 246.310 1.123 20 30 BDEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COCC ZINC001570523321 992476329 /nfs/dbraw/zinc/47/63/29/992476329.db2.gz GTPAESFNOSTAQJ-GFCCVEGCSA-N 0 3 240.347 1.132 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@H]1CCCO1 ZINC001570698134 992505706 /nfs/dbraw/zinc/50/57/06/992505706.db2.gz OFDPFKIWJALZNX-NWDGAFQWSA-N 0 3 240.347 1.178 20 30 BDEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)CCO ZINC001570733963 992511596 /nfs/dbraw/zinc/51/15/96/992511596.db2.gz KOIJGOGPTLGFNE-DGCLKSJQSA-N 0 3 242.363 1.018 20 30 BDEDHN CC#CCN1C[C@@H]2C(CNC(=O)/C(C)=C\C)[C@@H]2C1 ZINC001570918404 992528606 /nfs/dbraw/zinc/52/86/06/992528606.db2.gz MQAQNZSDFMTPKP-YDWITMFPSA-N 0 3 246.354 1.270 20 30 BDEDHN C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC/C=C\Cl ZINC001571380012 992545018 /nfs/dbraw/zinc/54/50/18/992545018.db2.gz HCJKFOSTQCSYJM-YVDHIRPGSA-N 0 3 243.738 1.335 20 30 BDEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)C1(N)CC1 ZINC001573400150 992612273 /nfs/dbraw/zinc/61/22/73/992612273.db2.gz UTPAQFNKNPJKFV-VIFPVBQESA-N 0 3 245.282 1.407 20 30 BDEDHN C#C[C@H](NC(=O)[C@H](N)CCCC)c1ccccc1 ZINC001574505230 992874042 /nfs/dbraw/zinc/87/40/42/992874042.db2.gz QNKIGLIFFGHHGX-KGLIPLIRSA-N 0 3 244.338 1.995 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccsn1 ZINC001574856610 992928516 /nfs/dbraw/zinc/92/85/16/992928516.db2.gz CBDAZNFEECJLPO-ZCFIWIBFSA-N 0 3 231.708 1.552 20 30 BDEDHN C=CCC(CC=C)C(=O)N[C@H]1CCNC[C@H]1F ZINC001574889000 992938571 /nfs/dbraw/zinc/93/85/71/992938571.db2.gz KDDNDGLZIBAVJR-NEPJUHHUSA-N 0 3 240.322 1.571 20 30 BDEDHN C=CCCO[N-]C(=O)CC1(C[NH3+])CCCCC1 ZINC001574913486 992944156 /nfs/dbraw/zinc/94/41/56/992944156.db2.gz QCSWGSOISUYFJZ-UHFFFAOYSA-N 0 3 240.347 1.910 20 30 BDEDHN C#Cc1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)nc1 ZINC001262688777 993031338 /nfs/dbraw/zinc/03/13/38/993031338.db2.gz CVTQLFZVABBRNQ-NEPJUHHUSA-N 0 3 229.327 1.592 20 30 BDEDHN C#Cc1ccc(N2CCN(C)[C@@H](C(C)C)C2)nc1 ZINC001262704013 993046327 /nfs/dbraw/zinc/04/63/27/993046327.db2.gz FZJPZUHNKRFNFJ-CQSZACIVSA-N 0 3 243.354 1.839 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)NC[C@H]1CC1(C)C ZINC001263084818 993104983 /nfs/dbraw/zinc/10/49/83/993104983.db2.gz HBXHPKZJJNVJTN-GHMZBOCLSA-N 0 3 224.348 1.832 20 30 BDEDHN C=CCCC[C@H](N)C(=O)NCCc1ccncc1 ZINC001263110942 993123993 /nfs/dbraw/zinc/12/39/93/993123993.db2.gz METNQSLRMPHECG-ZDUSSCGKSA-N 0 3 247.342 1.424 20 30 BDEDHN C=CCC[C@@H]1CCCN1C(=O)[C@H](N)CC ZINC001263277448 993206194 /nfs/dbraw/zinc/20/61/94/993206194.db2.gz HVZYHAULGKYLEZ-GHMZBOCLSA-N 0 3 210.321 1.681 20 30 BDEDHN CCn1ccnc1C(C#N)C(=O)CC1CC1 ZINC001263616796 993422976 /nfs/dbraw/zinc/42/29/76/993422976.db2.gz IWGIDHUOKGCMNG-JTQLQIEISA-N 0 3 217.272 1.879 20 30 BDEDHN C=C(CC(C)C)C(=O)N[C@H]1CCCN(C)C1 ZINC001263727815 993480355 /nfs/dbraw/zinc/48/03/55/993480355.db2.gz XNQYMEJLRQMZPP-LBPRGKRZSA-N 0 3 224.348 1.799 20 30 BDEDHN CCC[C@H](C#N)NC(=O)[C@@H](N)CCCCC#N ZINC001577325152 993589293 /nfs/dbraw/zinc/58/92/93/993589293.db2.gz PXSTWIIQYGJNDQ-MNOVXSKESA-N 0 3 236.319 1.206 20 30 BDEDHN CCCC[C@H](N)C(=O)N(C)[C@H](C#N)CC ZINC001577400634 993641914 /nfs/dbraw/zinc/64/19/14/993641914.db2.gz CGKTWGURXKPONV-UWVGGRQHSA-N 0 3 211.309 1.264 20 30 BDEDHN CCCCCCN([O-])C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001577432578 993665578 /nfs/dbraw/zinc/66/55/78/993665578.db2.gz JEGFPOMZRAKXKV-MGCOHNPYSA-N 0 3 214.309 1.522 20 30 BDEDHN CCCCN([O-])C(=O)[C@H](C)[NH2+]C1CC1 ZINC001577458170 993667144 /nfs/dbraw/zinc/66/71/44/993667144.db2.gz XWGGVZDITVZOBS-QMMMGPOBSA-N 0 3 200.282 1.145 20 30 BDEDHN C=C(C)CCC(=O)NCCCN(C)CC#CC ZINC001264992079 993809496 /nfs/dbraw/zinc/80/94/96/993809496.db2.gz LGABTSSLUOQIPG-UHFFFAOYSA-N 0 3 236.359 1.804 20 30 BDEDHN CC#CCN[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001265429159 993855376 /nfs/dbraw/zinc/85/53/76/993855376.db2.gz NUTQFKMXLTWGSS-AWEZNQCLSA-N 0 3 246.354 1.701 20 30 BDEDHN C=C/C(C)=C\CC(=O)N1CC[C@H](NCC#CC)C1 ZINC001265443206 993858111 /nfs/dbraw/zinc/85/81/11/993858111.db2.gz TVBKPCJBTYRNOO-LVOZBFFPSA-N 0 3 246.354 1.723 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001265792846 993939891 /nfs/dbraw/zinc/93/98/91/993939891.db2.gz WIRYEYOCTAEWBG-GFCCVEGCSA-N 0 3 247.342 1.363 20 30 BDEDHN CC#CCN[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC001265885675 993968671 /nfs/dbraw/zinc/96/86/71/993968671.db2.gz TXDBBQZVVWGEPY-LBPRGKRZSA-N 0 3 248.351 1.576 20 30 BDEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC)C[C@@H]2C1 ZINC001279339732 994064425 /nfs/dbraw/zinc/06/44/25/994064425.db2.gz KNALJRDHOXJXBH-OKILXGFUSA-N 0 3 248.370 1.590 20 30 BDEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)CC ZINC001280787544 994134349 /nfs/dbraw/zinc/13/43/49/994134349.db2.gz NELRYRBLRUBTMN-LBPRGKRZSA-N 0 3 224.348 1.446 20 30 BDEDHN C=CCCC(=O)N[C@@H]1CCN(CC#CC)[C@@H](C)C1 ZINC001281652020 994167274 /nfs/dbraw/zinc/16/72/74/994167274.db2.gz MGSCKAPEKUCUHZ-UONOGXRCSA-N 0 3 248.370 1.945 20 30 BDEDHN C=CCCC(=O)N1CCCC[C@H]1CNCCF ZINC001281852837 994179941 /nfs/dbraw/zinc/17/99/41/994179941.db2.gz FXFNZNHHGXCXDY-LBPRGKRZSA-N 0 3 242.338 1.893 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)SC ZINC001282354530 994218853 /nfs/dbraw/zinc/21/88/53/994218853.db2.gz FTIVNGWJXDGCLR-UWVGGRQHSA-N 0 3 230.377 1.360 20 30 BDEDHN C=CCN(C)[C@H](C)CNC(=O)CSCCC ZINC001282358291 994226517 /nfs/dbraw/zinc/22/65/17/994226517.db2.gz YVHCOZFPDFVHPK-LLVKDONJSA-N 0 3 244.404 1.752 20 30 BDEDHN C=CCN(C)[C@@H](C)CNC(=O)CCC(=C)C ZINC001282390024 994234328 /nfs/dbraw/zinc/23/43/28/994234328.db2.gz VIPRKLNYFCRNJN-LBPRGKRZSA-N 0 3 224.348 1.965 20 30 BDEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC2CC2)C1 ZINC001283952328 994315869 /nfs/dbraw/zinc/31/58/69/994315869.db2.gz XHIBVTXVRSNIOF-WCQYABFASA-N 0 3 234.343 1.389 20 30 BDEDHN C=CCN(C)CCN(CC)C(=O)c1cocn1 ZINC001297377849 994865757 /nfs/dbraw/zinc/86/57/57/994865757.db2.gz BHULIOCUTPOTAO-UHFFFAOYSA-N 0 3 237.303 1.255 20 30 BDEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001491748379 995000569 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/nfs/dbraw/zinc/10/12/34/369101234.db2.gz KUOMCUGEJMBNCE-BXKDBHETSA-N 0 3 244.294 1.525 20 30 BDEDHN CNC(=O)[C@H]1CCCN1C[C@H](C)CCC#N ZINC000618887466 369233844 /nfs/dbraw/zinc/23/38/44/369233844.db2.gz ZTAQUEOVJHBCGN-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN CNC(=O)[C@H]1CCCN1C[C@@H](C)CCC#N ZINC000618887469 369234343 /nfs/dbraw/zinc/23/43/43/369234343.db2.gz ZTAQUEOVJHBCGN-WDEREUQCSA-N 0 3 223.320 1.137 20 30 BDEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCN1CC ZINC000458451351 203175688 /nfs/dbraw/zinc/17/56/88/203175688.db2.gz VXNIXZGFFWDSDC-LBPRGKRZSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(CC)CNC(=O)N1CCCN(CC)CC1 ZINC000459076711 203230510 /nfs/dbraw/zinc/23/05/10/203230510.db2.gz MOYVOFGNHKUPKD-UHFFFAOYSA-N 0 3 239.363 1.690 20 30 BDEDHN Cc1cncc(CCN2CCC(CC#N)CC2)n1 ZINC000402593010 369387584 /nfs/dbraw/zinc/38/75/84/369387584.db2.gz GGVFGQNMGPJWGM-UHFFFAOYSA-N 0 3 244.342 1.953 20 30 BDEDHN CCN(C(=O)C(C)C#N)[C@@H]1CCCOC1 ZINC000402737294 369391552 /nfs/dbraw/zinc/39/15/52/369391552.db2.gz QOZLZSCNRLYBMJ-VHSXEESVSA-N 0 3 210.277 1.174 20 30 BDEDHN N#Cc1cccc(CNCCN2CCCC2=O)c1 ZINC000405419356 369459604 /nfs/dbraw/zinc/45/96/04/369459604.db2.gz ZVMWAJJRQMFCOV-UHFFFAOYSA-N 0 3 243.310 1.270 20 30 BDEDHN Cc1cn[nH]c1CNCC(C)(C)CC#N ZINC000459732136 203345555 /nfs/dbraw/zinc/34/55/55/203345555.db2.gz ORFVFEIBFPHCFX-UHFFFAOYSA-N 0 3 206.293 1.748 20 30 BDEDHN C=CCCC[C@H](C)N[C@H](CO)c1ccnn1C ZINC000459752412 203355192 /nfs/dbraw/zinc/35/51/92/203355192.db2.gz LGTKPHFAGUEMKV-NWDGAFQWSA-N 0 3 237.347 1.788 20 30 BDEDHN CN(C)CCn1cc(-c2ccc(C#N)cc2)cn1 ZINC000600776564 369565983 /nfs/dbraw/zinc/56/59/83/369565983.db2.gz OMSKUIWEDJOGQA-UHFFFAOYSA-N 0 3 240.310 1.983 20 30 BDEDHN CC[C@H](N)c1cn(Cc2cccc(C#N)c2)nn1 ZINC000600973804 369582289 /nfs/dbraw/zinc/58/22/89/369582289.db2.gz XJHXNISKWSFISF-LBPRGKRZSA-N 0 3 241.298 1.608 20 30 BDEDHN N#Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000601975618 369730884 /nfs/dbraw/zinc/73/08/84/369730884.db2.gz LRNYVFPSANZTIJ-BETUJISGSA-N 0 3 246.285 1.776 20 30 BDEDHN C[C@@H]1C[C@@H]1CNCc1cccc(C#N)n1 ZINC000602513846 369802436 /nfs/dbraw/zinc/80/24/36/369802436.db2.gz FIGBKSJSDLPRLH-NXEZZACHSA-N 0 3 201.273 1.699 20 30 BDEDHN CC[C@H](C)N(CCO)Cc1cccc(C#N)n1 ZINC000602679548 369839649 /nfs/dbraw/zinc/83/96/49/369839649.db2.gz GWIFOVOHTWXUDJ-NSHDSACASA-N 0 3 233.315 1.546 20 30 BDEDHN N#Cc1cccc(CNC[C@@H]2CCCCO2)n1 ZINC000602520685 369805417 /nfs/dbraw/zinc/80/54/17/369805417.db2.gz IKMAJSSGNCIGJL-ZDUSSCGKSA-N 0 3 231.299 1.612 20 30 BDEDHN CCC(O)(CC)CNCc1cccc(C#N)n1 ZINC000602523686 369805565 /nfs/dbraw/zinc/80/55/65/369805565.db2.gz GCTPHPQVUZTFQU-UHFFFAOYSA-N 0 3 233.315 1.594 20 30 BDEDHN CN1CCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602526715 369805718 /nfs/dbraw/zinc/80/57/18/369805718.db2.gz FPRUSFHRKHZPOB-ZDUSSCGKSA-N 0 3 230.315 1.137 20 30 BDEDHN CCN(Cc1cccc(C#N)n1)[C@H](C)CO ZINC000602670358 369839967 /nfs/dbraw/zinc/83/99/67/369839967.db2.gz CONPFKPRDOQFEV-SNVBAGLBSA-N 0 3 219.288 1.156 20 30 BDEDHN CC[C@H](COC)NCc1cccc(C#N)n1 ZINC000602549469 369810093 /nfs/dbraw/zinc/81/00/93/369810093.db2.gz DCYWXTMXRDNMAQ-SNVBAGLBSA-N 0 3 219.288 1.468 20 30 BDEDHN N#Cc1cccc(CNC[C@H]2CCC[C@H](O)C2)n1 ZINC000602554343 369812149 /nfs/dbraw/zinc/81/21/49/369812149.db2.gz GYXCAZWFZOGRLY-FZMZJTMJSA-N 0 3 245.326 1.594 20 30 BDEDHN CC(C)(C)C[C@H](O)CNCc1cccc(C#N)n1 ZINC000602554351 369812309 /nfs/dbraw/zinc/81/23/09/369812309.db2.gz BWDUUUILOCVUIV-ZDUSSCGKSA-N 0 3 247.342 1.840 20 30 BDEDHN CO[C@@H](CNCc1cccc(C#N)n1)C(C)C ZINC000602562645 369813938 /nfs/dbraw/zinc/81/39/38/369813938.db2.gz VIUIFQJJZVZTGD-ZDUSSCGKSA-N 0 3 233.315 1.714 20 30 BDEDHN COC[C@@H](NCc1cccc(C#N)n1)C1CC1 ZINC000602572917 369816147 /nfs/dbraw/zinc/81/61/47/369816147.db2.gz UVLFPPSPPMFESC-CYBMUJFWSA-N 0 3 231.299 1.468 20 30 BDEDHN C[C@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602577149 369816468 /nfs/dbraw/zinc/81/64/68/369816468.db2.gz TUIJNKWVFYKDIQ-QWRGUYRKSA-N 0 3 231.299 1.610 20 30 BDEDHN CC(C)O[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602689230 369841710 /nfs/dbraw/zinc/84/17/10/369841710.db2.gz ABSNWHRSSVAOOY-OKILXGFUSA-N 0 3 245.326 1.999 20 30 BDEDHN C/C=C\C[C@H](CO)NCc1cccc(C#N)n1 ZINC000602617346 369828855 /nfs/dbraw/zinc/82/88/55/369828855.db2.gz CYCLCPLSINGCLV-XQJDBVBESA-N 0 3 231.299 1.370 20 30 BDEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc(C#N)n1 ZINC000602617689 369829101 /nfs/dbraw/zinc/82/91/01/369829101.db2.gz WAHAUPKVLOGDJH-NWDGAFQWSA-N 0 3 244.342 1.478 20 30 BDEDHN CC(C)(O)CN(Cc1cccc(C#N)n1)C1CC1 ZINC000602625151 369830836 /nfs/dbraw/zinc/83/08/36/369830836.db2.gz YACFBBBEBHXYOP-UHFFFAOYSA-N 0 3 245.326 1.689 20 30 BDEDHN N#Cc1cccc(CNCCN2CC=CCC2)n1 ZINC000602639176 369832283 /nfs/dbraw/zinc/83/22/83/369832283.db2.gz VRDQTKCNTQKXJT-UHFFFAOYSA-N 0 3 242.326 1.305 20 30 BDEDHN N#Cc1cccc(CNCCC[C@@H]2CCOC2)n1 ZINC000602680604 369841349 /nfs/dbraw/zinc/84/13/49/369841349.db2.gz FMTHXELFLUVEGX-GFCCVEGCSA-N 0 3 245.326 1.860 20 30 BDEDHN CC(C)[C@@H](CO)CNCc1cccc(C#N)n1 ZINC000602654107 369835161 /nfs/dbraw/zinc/83/51/61/369835161.db2.gz JCPWMRANCQHBLJ-LLVKDONJSA-N 0 3 233.315 1.307 20 30 BDEDHN CCC[C@@H](CNCc1cccc(C#N)n1)OC ZINC000602673108 369837994 /nfs/dbraw/zinc/83/79/94/369837994.db2.gz IJIXTJNFYWHMBN-ZDUSSCGKSA-N 0 3 233.315 1.858 20 30 BDEDHN CN1C[C@H]2[C@@H](CCN2Cc2cccc(C#N)n2)C1 ZINC000602671914 369838112 /nfs/dbraw/zinc/83/81/12/369838112.db2.gz MUTNYEXXJIOFNR-FZMZJTMJSA-N 0 3 242.326 1.089 20 30 BDEDHN CO[C@H]([C@H](C)NCc1cccc(C#N)n1)C1CC1 ZINC000602681335 369841772 /nfs/dbraw/zinc/84/17/72/369841772.db2.gz ONOQPMNGLMGHGP-IINYFYTJSA-N 0 3 245.326 1.856 20 30 BDEDHN C[C@@H]1CN(Cc2cccc(C#N)n2)C[C@H](C)N1C ZINC000602677650 369838123 /nfs/dbraw/zinc/83/81/23/369838123.db2.gz XSTGDZUFNVNVJP-TXEJJXNPSA-N 0 3 244.342 1.478 20 30 BDEDHN COC[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602470250 369792952 /nfs/dbraw/zinc/79/29/52/369792952.db2.gz YVMYLQRVCMYNEV-LLVKDONJSA-N 0 3 231.299 1.422 20 30 BDEDHN CN(Cc1cccc(C#N)n1)C[C@H]1CCC[C@H]1O ZINC000602481309 369794660 /nfs/dbraw/zinc/79/46/60/369794660.db2.gz AUQALEMJEPLRMT-BXUZGUMPSA-N 0 3 245.326 1.546 20 30 BDEDHN N#Cc1cccc(CNCC[C@H]2CCCO2)n1 ZINC000602508412 369797872 /nfs/dbraw/zinc/79/78/72/369797872.db2.gz BUTYESPBVFAMSM-CYBMUJFWSA-N 0 3 231.299 1.612 20 30 BDEDHN CCCN1CC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602713408 369846279 /nfs/dbraw/zinc/84/62/79/369846279.db2.gz MXUSYIFRCLSOMV-CQSZACIVSA-N 0 3 244.342 1.527 20 30 BDEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CN2CCC1CC2 ZINC000602752398 369848752 /nfs/dbraw/zinc/84/87/52/369848752.db2.gz ORPZTRDCLKMRNC-CQSZACIVSA-N 0 3 245.326 1.677 20 30 BDEDHN COC[C@@](C)(CO)NCc1ccc(C)c(C#N)c1 ZINC000602932072 369866552 /nfs/dbraw/zinc/86/65/52/369866552.db2.gz LXWCPLOFZPAMCL-CQSZACIVSA-N 0 3 248.326 1.354 20 30 BDEDHN CCCCCNCc1cnc2c(C#N)cnn2c1 ZINC000603892888 369998431 /nfs/dbraw/zinc/99/84/31/369998431.db2.gz BLLKQIQERRXPLG-UHFFFAOYSA-N 0 3 243.314 1.881 20 30 BDEDHN C[C@@H](CC#N)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000063093248 370131672 /nfs/dbraw/zinc/13/16/72/370131672.db2.gz YFYSOMGUAUNZEP-AAEUAGOBSA-N 0 3 245.326 1.837 20 30 BDEDHN CCC#C[C@H](C)N[C@H]1CCC[C@H]1C(=O)OC ZINC000309759308 370255698 /nfs/dbraw/zinc/25/56/98/370255698.db2.gz IIKCXDXNGWLJGD-TUAOUCFPSA-N 0 3 223.316 1.720 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621370596 370304458 /nfs/dbraw/zinc/30/44/58/370304458.db2.gz MXHIXBMAPNSCPQ-FRRDWIJNSA-N 0 3 209.333 1.739 20 30 BDEDHN CCN1CC[C@H](Nc2nnc(C)c(C)c2C#N)C1 ZINC000389276944 371126750 /nfs/dbraw/zinc/12/67/50/371126750.db2.gz SPWZXMGMNCJSLF-NSHDSACASA-N 0 3 245.330 1.471 20 30 BDEDHN CCN1CCC[C@H]1CNc1ccc(C#N)cn1 ZINC000019475656 371151018 /nfs/dbraw/zinc/15/10/18/371151018.db2.gz FDNXDICBHVFPSD-LBPRGKRZSA-N 0 3 230.315 1.849 20 30 BDEDHN C=CCCCCN1CCN([C@@H](CC)CO)CC1 ZINC000569075424 326388819 /nfs/dbraw/zinc/38/88/19/326388819.db2.gz GZYXVWFYGJEMKH-AWEZNQCLSA-N 0 3 240.391 1.731 20 30 BDEDHN CC(C)(CO)NCc1ccc(C#N)cc1 ZINC000020196490 371241160 /nfs/dbraw/zinc/24/11/60/371241160.db2.gz UUPCBGVPFOHIHS-UHFFFAOYSA-N 0 3 204.273 1.419 20 30 BDEDHN C=CCC[C@@H](C)N1CCN(c2nccnn2)CC1 ZINC000624059570 371284658 /nfs/dbraw/zinc/28/46/58/371284658.db2.gz YGKGBWBDTNONMJ-GFCCVEGCSA-N 0 3 247.346 1.348 20 30 BDEDHN CC[C@H](CC#N)NC[C@H]1CCC[C@@H](O)C1 ZINC000227751540 371931548 /nfs/dbraw/zinc/93/15/48/371931548.db2.gz PHPXTVSRRYMENQ-QJPTWQEYSA-N 0 3 210.321 1.819 20 30 BDEDHN N#Cc1ccc(CNCC2(CO)CCC2)s1 ZINC000184363026 205703899 /nfs/dbraw/zinc/70/38/99/205703899.db2.gz RAAGGFQVONHYSS-UHFFFAOYSA-N 0 3 236.340 1.872 20 30 BDEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCC)C2)C1 ZINC000633641964 373652585 /nfs/dbraw/zinc/65/25/85/373652585.db2.gz JOULMMYNJCPGNF-LBPRGKRZSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C1CC(C)(C(=O)N2CCN[C@@H](C(C)C)C2)C1 ZINC000633662437 373668359 /nfs/dbraw/zinc/66/83/59/373668359.db2.gz XUKCPBFLNNCAQX-GFCCVEGCSA-N 0 3 236.359 1.799 20 30 BDEDHN Cc1ccncc1NC(=O)[C@H](N)CCCC#N ZINC000424132070 206031543 /nfs/dbraw/zinc/03/15/43/206031543.db2.gz KDQZRPZTPQFEGY-SNVBAGLBSA-N 0 3 232.287 1.350 20 30 BDEDHN CC[C@H](C)N(CCO)CC1(C#N)CCC1 ZINC000451025848 206106172 /nfs/dbraw/zinc/10/61/72/206106172.db2.gz LFYMEKQXNOMMEA-NSHDSACASA-N 0 3 210.321 1.773 20 30 BDEDHN O[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC000052015476 183190765 /nfs/dbraw/zinc/19/07/65/183190765.db2.gz VMSMYHQMZJTVEM-HUUCEWRRSA-N 0 3 229.323 1.931 20 30 BDEDHN C=C(C)CN(CC)C(=O)CN[C@H](CO)C(C)C ZINC000180614156 134330497 /nfs/dbraw/zinc/33/04/97/134330497.db2.gz IOXHEWIVQJJANS-GFCCVEGCSA-N 0 3 242.363 1.018 20 30 BDEDHN C[C@H](CC#N)NC(=O)c1ccc(CN(C)C)cc1 ZINC000194620464 259623249 /nfs/dbraw/zinc/62/32/49/259623249.db2.gz WBTWGYSMKGYKMN-LLVKDONJSA-N 0 3 245.326 1.780 20 30 BDEDHN CC(C)(CNCc1cccc(C#N)c1)OCCO ZINC000288543985 383908342 /nfs/dbraw/zinc/90/83/42/383908342.db2.gz WZMSTTKFZGYQKR-UHFFFAOYSA-N 0 3 248.326 1.435 20 30 BDEDHN CCc1ccc([C@H](CO)NC(=O)C(C)C#N)cc1 ZINC000356462155 383888491 /nfs/dbraw/zinc/88/84/91/383888491.db2.gz OEYLKYBXQSVGCL-GWCFXTLKSA-N 0 3 246.310 1.558 20 30 BDEDHN CCc1ccc([C@@H](CO)NC(=O)C(C)C#N)cc1 ZINC000356462160 383889611 /nfs/dbraw/zinc/88/96/11/383889611.db2.gz OEYLKYBXQSVGCL-GXFFZTMASA-N 0 3 246.310 1.558 20 30 BDEDHN Cn1cc(CN2CC[C@@](O)(C3CC3)C2)cc1C#N ZINC000335002360 384008169 /nfs/dbraw/zinc/00/81/69/384008169.db2.gz RDRRFCFKPBSHSM-AWEZNQCLSA-N 0 3 245.326 1.244 20 30 BDEDHN COc1cc(CNCCCCO)ccc1C#N ZINC000234839121 384068849 /nfs/dbraw/zinc/06/88/49/384068849.db2.gz XNOPCIKAUJCDLC-UHFFFAOYSA-N 0 3 234.299 1.429 20 30 BDEDHN CCN(C)CCNC(=O)c1cscc1C#N ZINC000340308356 384153518 /nfs/dbraw/zinc/15/35/18/384153518.db2.gz YQFBDSDXUKDOBW-UHFFFAOYSA-N 0 3 237.328 1.301 20 30 BDEDHN C#CCCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000370603836 533045667 /nfs/dbraw/zinc/04/56/67/533045667.db2.gz MJQJBDMIFVKPRM-CYBMUJFWSA-N 0 3 236.359 1.195 20 30 BDEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1 ZINC000296581892 384193623 /nfs/dbraw/zinc/19/36/23/384193623.db2.gz MQGCNRVBBWNSOI-UHFFFAOYSA-N 0 3 245.326 1.763 20 30 BDEDHN N#Cc1ncn(CCNCc2cccs2)n1 ZINC000285671347 384193742 /nfs/dbraw/zinc/19/37/42/384193742.db2.gz ZSJGHBFFIASSIL-UHFFFAOYSA-N 0 3 233.300 1.001 20 30 BDEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C ZINC000336461512 384230225 /nfs/dbraw/zinc/23/02/25/384230225.db2.gz YHHSLORKESAJCO-KOLCDFICSA-N 0 3 246.314 1.099 20 30 BDEDHN COC(=O)c1c(C)cccc1NC(=O)C(C)C#N ZINC000344878900 384240923 /nfs/dbraw/zinc/24/09/23/384240923.db2.gz XUYFRLHAHCTCNG-VIFPVBQESA-N 0 3 246.266 1.880 20 30 BDEDHN Cn1cc(CN[C@H](CO)CC2CCC2)cc1C#N ZINC000355515849 384231724 /nfs/dbraw/zinc/23/17/24/384231724.db2.gz OQFGRQIQFJWSKZ-ZDUSSCGKSA-N 0 3 247.342 1.537 20 30 BDEDHN C[C@@H](CN(C)C)Nc1ncc(C#N)cc1Cl ZINC000286285041 384262786 /nfs/dbraw/zinc/26/27/86/384262786.db2.gz FESDGZZYFWQINF-QMMMGPOBSA-N 0 3 238.722 1.969 20 30 BDEDHN C#CCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000221170186 533051336 /nfs/dbraw/zinc/05/13/36/533051336.db2.gz BOWBUWQZIXQSAT-OAHLLOKOSA-N 0 3 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BDEDHN C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CN1C1CC1 ZINC000572751931 388373128 /nfs/dbraw/zinc/37/31/28/388373128.db2.gz WCNLJJQGVATUJN-FRRDWIJNSA-N 0 3 246.358 1.645 20 30 BDEDHN CCN(CCCO)Cc1ccc(C#N)s1 ZINC000271192899 388377093 /nfs/dbraw/zinc/37/70/93/388377093.db2.gz MKRCPXKWHUFFCP-UHFFFAOYSA-N 0 3 224.329 1.824 20 30 BDEDHN C=CCOCC(=O)Nc1cccc(CN)c1 ZINC000646578815 388388921 /nfs/dbraw/zinc/38/89/21/388388921.db2.gz GHKXEMXBNXDPGN-UHFFFAOYSA-N 0 3 220.272 1.286 20 30 BDEDHN CSC[C@@H]1CCCN1C(=O)C(C)C#N ZINC000336091442 388456238 /nfs/dbraw/zinc/45/62/38/388456238.db2.gz QPESNZFTMGSRFJ-BDAKNGLRSA-N 0 3 212.318 1.500 20 30 BDEDHN C[C@H](C(=O)N[C@H](C#N)C1CC1)N1CCCCCC1 ZINC000174727355 388411775 /nfs/dbraw/zinc/41/17/75/388411775.db2.gz FFJIQWFBFFUHLB-DGCLKSJQSA-N 0 3 249.358 1.669 20 30 BDEDHN C#CCN1CCC(C(=O)NCC2(C)CCC2)CC1 ZINC000175079802 388423764 /nfs/dbraw/zinc/42/37/64/388423764.db2.gz VDCCVGULCWAHPK-UHFFFAOYSA-N 0 3 248.370 1.638 20 30 BDEDHN CC#CCCNCc1cnc(N2CCCC2)nc1 ZINC000547842555 388491746 /nfs/dbraw/zinc/49/17/46/388491746.db2.gz SOACWWGYGUODJO-UHFFFAOYSA-N 0 3 244.342 1.580 20 30 BDEDHN CC#CCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000548190361 388521414 /nfs/dbraw/zinc/52/14/14/388521414.db2.gz DVCFBCUYZYSXRV-LBPRGKRZSA-N 0 3 237.347 1.041 20 30 BDEDHN CCC(C)(C)OC1CN(C(=O)C(C)C#N)C1 ZINC000529811178 388590333 /nfs/dbraw/zinc/59/03/33/388590333.db2.gz VVTXZEONVLXLEF-VIFPVBQESA-N 0 3 224.304 1.562 20 30 BDEDHN CN1CCC[C@@H](CNc2ccc(C#N)nn2)C1 ZINC000301964684 388617320 /nfs/dbraw/zinc/61/73/20/388617320.db2.gz JSLHMHYPHGWTAF-JTQLQIEISA-N 0 3 231.303 1.102 20 30 BDEDHN CC(C)(C)[C@@H](NCc1ccc(C#N)cc1)C(N)=O ZINC000106445263 388595505 /nfs/dbraw/zinc/59/55/05/388595505.db2.gz DUFTVSHHEOOMLT-LBPRGKRZSA-N 0 3 245.326 1.548 20 30 BDEDHN Cc1ncccc1CNC(=O)C(C)C#N ZINC000529884702 388597138 /nfs/dbraw/zinc/59/71/38/388597138.db2.gz IWWVDHORIKISSA-QMMMGPOBSA-N 0 3 203.245 1.166 20 30 BDEDHN C[C@]1(F)CNCCN(c2cccnc2C#N)C1 ZINC000520552107 388669224 /nfs/dbraw/zinc/66/92/24/388669224.db2.gz UJXJEYMMJFFHFK-LBPRGKRZSA-N 0 3 234.278 1.091 20 30 BDEDHN CN(C)C(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000057359171 388621835 /nfs/dbraw/zinc/62/18/35/388621835.db2.gz DEFNMGXDPLPNCC-UHFFFAOYSA-N 0 3 245.326 1.468 20 30 BDEDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000358577774 388624606 /nfs/dbraw/zinc/62/46/06/388624606.db2.gz VDDSXXLTLBZWSR-RKDXNWHRSA-N 0 3 249.289 1.612 20 30 BDEDHN C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCCN1C ZINC000358657180 388625459 /nfs/dbraw/zinc/62/54/59/388625459.db2.gz ZCBKUWGBPSLDQE-GXSJLCMTSA-N 0 3 231.303 1.243 20 30 BDEDHN CCN1C[C@@H](C)N(c2nccc(C#N)n2)C[C@H]1C ZINC000516244775 388657781 /nfs/dbraw/zinc/65/77/81/388657781.db2.gz HWXHTAWDNNQZIT-GHMZBOCLSA-N 0 3 245.330 1.267 20 30 BDEDHN CN(CCCCO)C[C@@H](O)c1ccc(C#N)cc1 ZINC000276388608 388739176 /nfs/dbraw/zinc/73/91/76/388739176.db2.gz MKHHYDYOPAYMPZ-CQSZACIVSA-N 0 3 248.326 1.296 20 30 BDEDHN CCN(CCCO)Cc1cc(C#N)n(C)c1 ZINC000276796717 388741504 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QVCHRTXBRVGGRD-CHWSQXEVSA-N 0 3 231.299 1.610 20 30 BDEDHN C=CCCCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249573287 388728178 /nfs/dbraw/zinc/72/81/78/388728178.db2.gz OUOONNRKSHVEIX-WDEREUQCSA-N 0 3 210.321 1.538 20 30 BDEDHN C[C@H](CNC(=O)Cc1ccc(C#N)cc1)N(C)C ZINC000070159041 388728970 /nfs/dbraw/zinc/72/89/70/388728970.db2.gz CNWLLUHHKVTUPJ-LLVKDONJSA-N 0 3 245.326 1.167 20 30 BDEDHN CC(C#N)C(=O)NCC(C1CC1)C1CC1 ZINC000088457630 388731786 /nfs/dbraw/zinc/73/17/86/388731786.db2.gz NWNIIPZNBNYLGQ-QMMMGPOBSA-N 0 3 206.289 1.698 20 30 BDEDHN CN(C)CC1(NC(=O)c2ccc(C#N)[nH]2)CCC1 ZINC000281812895 388808823 /nfs/dbraw/zinc/80/88/23/388808823.db2.gz UTYYTNYEOVBAMP-UHFFFAOYSA-N 0 3 246.314 1.100 20 30 BDEDHN Cc1ccc(OCCNC(=O)C(C)C#N)c(C)c1 ZINC000522980155 388784379 /nfs/dbraw/zinc/78/43/79/388784379.db2.gz MBWKKXREGATXCW-LBPRGKRZSA-N 0 3 246.310 1.958 20 30 BDEDHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193349912 388859224 /nfs/dbraw/zinc/85/92/24/388859224.db2.gz 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BDEDHN C[C@@H](CCCC#N)N1C[C@H]2CC[C@@H](C1)O2 ZINC001172494422 974845888 /nfs/dbraw/zinc/84/58/88/974845888.db2.gz UOYWLTVVAQNOKX-SDDRHHMPSA-N 0 3 208.305 1.932 20 30 BDEDHN C#C[C@@H](NCC1=CCCOC1)C(C)(C)C ZINC000290269439 533267121 /nfs/dbraw/zinc/26/71/21/533267121.db2.gz XQMRWQNNDDKIDL-GFCCVEGCSA-N 0 3 207.317 1.971 20 30 BDEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000335699215 533491223 /nfs/dbraw/zinc/49/12/23/533491223.db2.gz AKFPBZYYEFHONE-VXGBXAGGSA-N 0 3 239.363 1.687 20 30 BDEDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1 ZINC000122801592 132227906 /nfs/dbraw/zinc/22/79/06/132227906.db2.gz NBIVPIZRPVIZSV-VIFPVBQESA-N 0 3 246.270 1.265 20 30 BDEDHN Cc1ccc(N2C[C@H](C)N(C)[C@@H](C)C2)nc1C#N ZINC000302753244 132266171 /nfs/dbraw/zinc/26/61/71/132266171.db2.gz HTEWBVYNHRDERA-RYUDHWBXSA-N 0 3 244.342 1.791 20 30 BDEDHN Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C#N)n1 ZINC000308273506 132294093 /nfs/dbraw/zinc/29/40/93/132294093.db2.gz VAGRLKOMTOFSOE-TXEJJXNPSA-N 0 3 244.342 1.791 20 30 BDEDHN Cc1nc(N2C[C@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC000311041783 132295129 /nfs/dbraw/zinc/29/51/29/132295129.db2.gz SCTJAEWIOQFTIU-QWRGUYRKSA-N 0 3 244.342 1.791 20 30 BDEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000331474403 134000590 /nfs/dbraw/zinc/00/05/90/134000590.db2.gz MLBKVNCRTBOZCK-PWSUYJOCSA-N 0 3 235.331 1.279 20 30 BDEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(C#N)CCC1 ZINC000331565572 134001084 /nfs/dbraw/zinc/00/10/84/134001084.db2.gz JQAXUOIIBVXGSM-TXEJJXNPSA-N 0 3 249.358 1.669 20 30 BDEDHN N#CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331759706 134002022 /nfs/dbraw/zinc/00/20/22/134002022.db2.gz JUZHEKMPUXCDTB-LLVKDONJSA-N 0 3 221.304 1.033 20 30 BDEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331773304 134002075 /nfs/dbraw/zinc/00/20/75/134002075.db2.gz NTQRYHHIVHOHJC-JTNHKYCSSA-N 0 3 249.358 1.668 20 30 BDEDHN C[C@H](CNC(=O)CC(C)(C)C#N)N(C)C1CC1 ZINC000331807345 134002542 /nfs/dbraw/zinc/00/25/42/134002542.db2.gz YNNNSRGOZIRRGO-SNVBAGLBSA-N 0 3 237.347 1.525 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BDEDHN C#C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766665933 585504829 /nfs/dbraw/zinc/50/48/29/585504829.db2.gz ZYGTYVIOPCVWRA-RNCFNFMXSA-N 0 3 247.294 1.272 20 30 BDEDHN C#CCCCN(C)[C@@H]1CCCCNC1=O ZINC000766895031 585509401 /nfs/dbraw/zinc/50/94/01/585509401.db2.gz IFVUIXNMPDARPI-LLVKDONJSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000767092822 585513920 /nfs/dbraw/zinc/51/39/20/585513920.db2.gz YZYOJYCGFKLJTR-AAEUAGOBSA-N 0 3 248.370 1.635 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)C1CCN(C)CC1 ZINC000767246990 585515859 /nfs/dbraw/zinc/51/58/59/585515859.db2.gz MMTWZJGYLRYAJN-UHFFFAOYSA-N 0 3 236.359 1.589 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1ccccc1CC(=O)OC ZINC000769953505 585567158 /nfs/dbraw/zinc/56/71/58/585567158.db2.gz OINLHRHMERTHQJ-GFCCVEGCSA-N 0 3 245.322 1.856 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nccn2C)C1 ZINC000770027494 585569841 /nfs/dbraw/zinc/56/98/41/585569841.db2.gz UEDPHUHZMMVGLH-STQMWFEESA-N 0 3 249.358 1.537 20 30 BDEDHN OCC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC000771802072 585600436 /nfs/dbraw/zinc/60/04/36/585600436.db2.gz MXQAPKXPNZCOQM-HNNXBMFYSA-N 0 3 247.313 1.928 20 30 BDEDHN CCCCCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000772223662 585610420 /nfs/dbraw/zinc/61/04/20/585610420.db2.gz UUCSUHIXWSFICI-NSHDSACASA-N 0 3 248.392 1.320 20 30 BDEDHN Cc1ncc(CCNC(=O)C(C)C#N)s1 ZINC000772535057 585617843 /nfs/dbraw/zinc/61/78/43/585617843.db2.gz NPXZAPQJLGQIQZ-ZETCQYMHSA-N 0 3 223.301 1.270 20 30 BDEDHN CCCc1cccc(C=NNC(=N)N)c1 ZINC000774364658 585656977 /nfs/dbraw/zinc/65/69/77/585656977.db2.gz UBPJISJCYJQWTE-UHFFFAOYSA-N 0 3 204.277 1.456 20 30 BDEDHN CCOCCON=C1CCN(C)[C@@H](C)C1 ZINC000774416391 585658147 /nfs/dbraw/zinc/65/81/47/585658147.db2.gz GUTSXUUZZIXLHQ-JTQLQIEISA-N 0 3 214.309 1.510 20 30 BDEDHN CC#CCCCCOC(=O)C1CCN(C)C1=O ZINC000774489142 585660537 /nfs/dbraw/zinc/66/05/37/585660537.db2.gz SDRGNYJHVJBBIB-LLVKDONJSA-N 0 3 237.299 1.202 20 30 BDEDHN C#C[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000775385218 585677089 /nfs/dbraw/zinc/67/70/89/585677089.db2.gz YQBJQUOCNZQVJU-QWHCGFSZSA-N 0 3 236.359 1.635 20 30 BDEDHN C#C[C@H](NCC[C@H]1CCCCO1)[C@@H]1CCCO1 ZINC000775797025 585685083 /nfs/dbraw/zinc/68/50/83/585685083.db2.gz BTKZOYVCSJWWMN-RDBSUJKOSA-N 0 3 237.343 1.716 20 30 BDEDHN C#CCCN1CCN([C@H](C)CCOC)CC1 ZINC000776594432 585702424 /nfs/dbraw/zinc/70/24/24/585702424.db2.gz GIFNATORBZALHT-CYBMUJFWSA-N 0 3 224.348 1.052 20 30 BDEDHN COC[C@H](C)N=NC1CN(C(C)C)C[C@@H]1C ZINC000777903584 585723533 /nfs/dbraw/zinc/72/35/33/585723533.db2.gz UUONVDQNZVJJJU-QWRGUYRKSA-N 0 3 227.352 1.327 20 30 BDEDHN C=CCN(C)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000778160258 585726623 /nfs/dbraw/zinc/72/66/23/585726623.db2.gz AMNRGSRSPPWGSK-SNVBAGLBSA-N 0 3 225.288 1.340 20 30 BDEDHN CC(=NNC1=NC[C@@H](C)N1)c1cccs1 ZINC000779790894 585763786 /nfs/dbraw/zinc/76/37/86/585763786.db2.gz CHCXKUHJWCHGQY-SSDOTTSWSA-N 0 3 222.317 1.409 20 30 BDEDHN C[C@@H]1CNC(NN=CC2CCCCC2)=N1 ZINC000779793877 585763948 /nfs/dbraw/zinc/76/39/48/585763948.db2.gz YEXVDFBBWGJAHW-SECBINFHSA-N 0 3 208.309 1.490 20 30 BDEDHN C=C(C)CN1CCC2(CNC(=O)O2)CC1 ZINC000781996402 585806357 /nfs/dbraw/zinc/80/63/57/585806357.db2.gz BWBRINNCMFOFEK-UHFFFAOYSA-N 0 3 210.277 1.137 20 30 BDEDHN CO[C@H](c1ccccc1)C(C)N=NC(=N)N ZINC000782199321 585811878 /nfs/dbraw/zinc/81/18/78/585811878.db2.gz RKYRWKDNJUWTGE-JTQLQIEISA-N 0 3 220.276 1.233 20 30 BDEDHN Cc1[nH]c2ccc(F)cc2c1C=NNC(=N)N ZINC000782224990 585812516 /nfs/dbraw/zinc/81/25/16/585812516.db2.gz GELVXOXFFWLPOX-UHFFFAOYSA-N 0 3 233.250 1.432 20 30 BDEDHN C#CCNC(=O)Nc1ccccc1CCN(C)C ZINC000782907459 585825953 /nfs/dbraw/zinc/82/59/53/585825953.db2.gz WZFXONWVPBJLTL-UHFFFAOYSA-N 0 3 245.326 1.545 20 30 BDEDHN C#CCOCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000784078807 585848931 /nfs/dbraw/zinc/84/89/31/585848931.db2.gz FHXOPZOPSRBLSO-LLVKDONJSA-N 0 3 248.282 1.895 20 30 BDEDHN C=C(C)CNC(=S)N1CCN2CCC1CC2 ZINC000787197991 585902833 /nfs/dbraw/zinc/90/28/33/585902833.db2.gz IRAYFICWQVJXIL-UHFFFAOYSA-N 0 3 239.388 1.217 20 30 BDEDHN C#C[C@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000788188440 585919155 /nfs/dbraw/zinc/91/91/55/585919155.db2.gz OWLRJGIORAQULV-JTQLQIEISA-N 0 3 221.300 1.426 20 30 BDEDHN CC#CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000788291839 585921284 /nfs/dbraw/zinc/92/12/84/585921284.db2.gz DKGJJNNNXCKXFO-LBPRGKRZSA-N 0 3 222.332 1.246 20 30 BDEDHN C[C@H](C#N)COC(=O)C1CCN(C2CC2)CC1 ZINC000805899202 585944740 /nfs/dbraw/zinc/94/47/40/585944740.db2.gz MRUWQWPZJSTOSJ-SNVBAGLBSA-N 0 3 236.315 1.564 20 30 BDEDHN C#C[C@H](CC)OC(=O)C1CCN(C2CC2)CC1 ZINC000805918178 585961479 /nfs/dbraw/zinc/96/14/79/585961479.db2.gz KYNWGSYAVCCXDF-CYBMUJFWSA-N 0 3 235.327 1.816 20 30 BDEDHN C=C(CN(C)C)C(=O)N1Cc2ccccc2C1 ZINC000791356654 585978756 /nfs/dbraw/zinc/97/87/56/585978756.db2.gz JGIXVYOQAXDVAA-UHFFFAOYSA-N 0 3 230.311 1.647 20 30 BDEDHN COCCCNN=C(C)c1ccc(N)cc1C ZINC000794543912 586043243 /nfs/dbraw/zinc/04/32/43/586043243.db2.gz NHMZVJMMEOWVIX-UHFFFAOYSA-N 0 3 235.331 1.927 20 30 BDEDHN C#C[C@@H](NCCc1cnn(CC)c1)[C@H]1CCCO1 ZINC000794564052 586043830 /nfs/dbraw/zinc/04/38/30/586043830.db2.gz CSXJGLICNSKVQU-ZIAGYGMSSA-N 0 3 247.342 1.216 20 30 BDEDHN COCCCON=C1CCN2CCC[C@@H]12 ZINC000795044035 586066546 /nfs/dbraw/zinc/06/65/46/586066546.db2.gz HUOSCFBMYLGGLD-NSHDSACASA-N 0 3 212.293 1.264 20 30 BDEDHN C#CCCN(C)[C@@H](CC(N)=O)c1ccccc1 ZINC000796530330 586106127 /nfs/dbraw/zinc/10/61/27/586106127.db2.gz HUPRETMNZUBXCX-ZDUSSCGKSA-N 0 3 230.311 1.558 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC(F)(F)CC1 ZINC000796539177 586106566 /nfs/dbraw/zinc/10/65/66/586106566.db2.gz KTHLBOAKOPRDKH-SECBINFHSA-N 0 3 205.248 1.655 20 30 BDEDHN CC1(C)CC(C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000796771977 586112294 /nfs/dbraw/zinc/11/22/94/586112294.db2.gz NYDHWFISOCEILN-NSHDSACASA-N 0 3 248.326 1.754 20 30 BDEDHN CNC(=O)C(C#N)C(=O)CCCOC(C)(C)C ZINC000796798667 586113250 /nfs/dbraw/zinc/11/32/50/586113250.db2.gz PEXUQKWNKHVZSV-VIFPVBQESA-N 0 3 240.303 1.037 20 30 BDEDHN C=CCN(C(C)C)[C@@H]1CCN(CC=C)C1=O ZINC000799113304 586157471 /nfs/dbraw/zinc/15/74/71/586157471.db2.gz DEUQRXJXHTWPSH-GFCCVEGCSA-N 0 3 222.332 1.670 20 30 BDEDHN Cc1cc(Cl)nc(CNC(=O)C(C)C#N)c1 ZINC000800574407 586224802 /nfs/dbraw/zinc/22/48/02/586224802.db2.gz AHTCCLYRCGQZFH-QMMMGPOBSA-N 0 3 237.690 1.819 20 30 BDEDHN CC#CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000801197674 586247938 /nfs/dbraw/zinc/24/79/38/586247938.db2.gz HTWWUGYAXBQZCT-WFASDCNBSA-N 0 3 244.338 1.817 20 30 BDEDHN Cc1ccccc1[C@H](CO)NCCO[C@@H](C)C#N ZINC000801939647 586280703 /nfs/dbraw/zinc/28/07/03/586280703.db2.gz UTFMAQCUVQXVOW-JSGCOSHPSA-N 0 3 248.326 1.547 20 30 BDEDHN C#C[C@@H](NCCc1ccnn1CC)[C@H]1CCCO1 ZINC000801942461 586282000 /nfs/dbraw/zinc/28/20/00/586282000.db2.gz ASTICKLNYDWQTF-ZIAGYGMSSA-N 0 3 247.342 1.216 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC2(CCC2)CC1 ZINC000804624326 586404186 /nfs/dbraw/zinc/40/41/86/586404186.db2.gz PBHIUEGNZZYQNZ-UHFFFAOYSA-N 0 3 236.359 1.897 20 30 BDEDHN C#Cc1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC000809625347 586510146 /nfs/dbraw/zinc/51/01/46/586510146.db2.gz CHAJMKBYQIXCHU-AWEZNQCLSA-N 0 3 242.322 1.378 20 30 BDEDHN C#C[C@H](C)NCc1ccc2c(c1)sc(=O)n2C ZINC000809683944 586512326 /nfs/dbraw/zinc/51/23/26/586512326.db2.gz LNTSXBIWGADNAN-VIFPVBQESA-N 0 3 246.335 1.711 20 30 BDEDHN C#C[C@H](CC)NCc1cc(OC)c(OC)cc1O ZINC000809686759 586512570 /nfs/dbraw/zinc/51/25/70/586512570.db2.gz KFVMBOBDLFFVTK-LLVKDONJSA-N 0 3 249.310 1.911 20 30 BDEDHN C#C[C@H](CC)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000809686759 586512572 /nfs/dbraw/zinc/51/25/72/586512572.db2.gz KFVMBOBDLFFVTK-LLVKDONJSA-N 0 3 249.310 1.911 20 30 BDEDHN C#CCOCCN(C)CCc1ccncc1 ZINC000809968889 586527160 /nfs/dbraw/zinc/52/71/60/586527160.db2.gz JUZQWBYGUHETEH-UHFFFAOYSA-N 0 3 218.300 1.206 20 30 BDEDHN Cc1cnn([C@H]2CCN(CCO[C@@H](C)C#N)C2)c1 ZINC000810125509 586535048 /nfs/dbraw/zinc/53/50/48/586535048.db2.gz XKHTWUJKVHXGPU-STQMWFEESA-N 0 3 248.330 1.367 20 30 BDEDHN CC(C)OCCON=C1CCN2CCC[C@H]12 ZINC000812237955 586572011 /nfs/dbraw/zinc/57/20/11/586572011.db2.gz IESKHSHDSBFISR-GFCCVEGCSA-N 0 3 226.320 1.652 20 30 BDEDHN CC(COC(=O)CCCCCC#N)[N+](=O)[O-] ZINC000813107399 586592896 /nfs/dbraw/zinc/59/28/96/586592896.db2.gz MZDNSCWLUWMDED-VIFPVBQESA-N 0 3 228.248 1.669 20 30 BDEDHN C=CCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813113105 586594075 /nfs/dbraw/zinc/59/40/75/586594075.db2.gz AYLSRNHRODIIOB-VIFPVBQESA-N 0 3 227.260 1.941 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCC1(F)CCC1 ZINC000813626860 586604637 /nfs/dbraw/zinc/60/46/37/586604637.db2.gz ACFKZBFQNLUVLQ-UHFFFAOYSA-N 0 3 228.311 1.503 20 30 BDEDHN CC(C)(O)CN1CCC(=NOC2CCC2)CC1 ZINC000814228940 586618472 /nfs/dbraw/zinc/61/84/72/586618472.db2.gz NBBSWZVQYFMMOP-UHFFFAOYSA-N 0 3 240.347 1.778 20 30 BDEDHN N=C(N)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814796759 586634387 /nfs/dbraw/zinc/63/43/87/586634387.db2.gz OGQZVCUGDXMVNV-SSDOTTSWSA-N 0 3 229.287 1.177 20 30 BDEDHN CCC(=NNC1=NC[C@@H](C)N1)c1ccco1 ZINC000814897533 586645896 /nfs/dbraw/zinc/64/58/96/586645896.db2.gz KXDRMLHFNVNPTL-MRVPVSSYSA-N 0 3 220.276 1.331 20 30 BDEDHN C=CCOCCN1CCC(n2cccn2)CC1 ZINC000815045785 586664494 /nfs/dbraw/zinc/66/44/94/586664494.db2.gz XALAOMPCIYAUPS-UHFFFAOYSA-N 0 3 235.331 1.723 20 30 BDEDHN C#C[C@@H](NCCC1(OC)CCC1)[C@@H]1CCCO1 ZINC000815093548 586665670 /nfs/dbraw/zinc/66/56/70/586665670.db2.gz NPGQLEKEBILJJT-OLZOCXBDSA-N 0 3 237.343 1.716 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)CC1(C#N)CC1 ZINC000815594906 586688598 /nfs/dbraw/zinc/68/85/98/586688598.db2.gz BNPIDOGMUVZARK-LLVKDONJSA-N 0 3 237.347 1.383 20 30 BDEDHN Cc1cc(C#N)cnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000816092314 586707380 /nfs/dbraw/zinc/70/73/80/586707380.db2.gz ZMJPULXGVKNVLW-QMMMGPOBSA-N 0 3 249.226 1.084 20 30 BDEDHN CN(C[C@H]1CCCN1C)C(=O)C#CC(C)(C)C ZINC000817677617 586817283 /nfs/dbraw/zinc/81/72/83/586817283.db2.gz FGFUJILXXQWJSM-GFCCVEGCSA-N 0 3 236.359 1.589 20 30 BDEDHN C#CCN(C)CCCNC(=O)c1ccn(C)c1C ZINC000818603227 586905382 /nfs/dbraw/zinc/90/53/82/586905382.db2.gz UWNBCBKJSVHEOL-UHFFFAOYSA-N 0 3 247.342 1.018 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccco1 ZINC000818612340 586906770 /nfs/dbraw/zinc/90/67/70/586906770.db2.gz WSMRFQZJFBTGOZ-LBPRGKRZSA-N 0 3 248.326 1.454 20 30 BDEDHN CON(C)C(=O)CCNCc1ccc(C#N)cc1 ZINC000818952023 586917234 /nfs/dbraw/zinc/91/72/34/586917234.db2.gz VQBBLWLUUMHAGS-UHFFFAOYSA-N 0 3 247.298 1.058 20 30 BDEDHN C#Cc1cccc(CNC[C@@H](O)C2CC2)c1 ZINC000819356177 586956183 /nfs/dbraw/zinc/95/61/83/586956183.db2.gz BKEODTHYTGLOGT-CQSZACIVSA-N 0 3 215.296 1.528 20 30 BDEDHN OCCN1CCC(=NOC/C=C/Cl)CC1 ZINC000819812798 586997407 /nfs/dbraw/zinc/99/74/07/586997407.db2.gz HVVFIDIJDVTNBK-DAFODLJHSA-N 0 3 232.711 1.200 20 30 BDEDHN CC[C@H](C)CON=C1CCN(CCO)CC1 ZINC000819813279 586998139 /nfs/dbraw/zinc/99/81/39/586998139.db2.gz LWWBITUSFHKEBZ-NSHDSACASA-N 0 3 228.336 1.493 20 30 BDEDHN C#CCN(C)CCCNC(=O)C1(C)CC=CC1 ZINC000820688663 587065229 /nfs/dbraw/zinc/06/52/29/587065229.db2.gz XZFSXNFUIXHPJZ-UHFFFAOYSA-N 0 3 234.343 1.414 20 30 BDEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC(=O)O1 ZINC000821341773 587109649 /nfs/dbraw/zinc/10/96/49/587109649.db2.gz DKCUGAIYQXBJFY-ZDUSSCGKSA-N 0 3 244.294 1.696 20 30 BDEDHN C=C(CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC000822011903 587149181 /nfs/dbraw/zinc/14/91/81/587149181.db2.gz LCUHBJNZSWVALW-LBPRGKRZSA-N 0 3 224.348 1.942 20 30 BDEDHN C#CCCN1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000860186657 589088273 /nfs/dbraw/zinc/08/82/73/589088273.db2.gz DHQJQNQEAYWBCF-QWRGUYRKSA-N 0 3 223.316 1.672 20 30 BDEDHN C#CCN(CC)C(=O)N[C@H]1CCN(CCC)C1 ZINC000823054803 587200199 /nfs/dbraw/zinc/20/01/99/587200199.db2.gz VZRQSFJUAYEUTE-LBPRGKRZSA-N 0 3 237.347 1.135 20 30 BDEDHN CC(C)[C@H]1CN(C)CCN1CCO[C@@H](C)C#N ZINC000823179304 587206971 /nfs/dbraw/zinc/20/69/71/587206971.db2.gz KWGWLMCDFWRNRX-QWHCGFSZSA-N 0 3 239.363 1.187 20 30 BDEDHN C#C[C@H](N[C@H]1CCOC2(CCC2)C1)[C@H]1CCCO1 ZINC000824195904 587259962 /nfs/dbraw/zinc/25/99/62/587259962.db2.gz 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230.315 1.607 20 30 BDEDHN C=CCN1CCC(NC(=O)C#CC(C)C)CC1 ZINC000826656599 587358054 /nfs/dbraw/zinc/35/80/54/587358054.db2.gz SGCGKTIJGYMUKH-UHFFFAOYSA-N 0 3 234.343 1.412 20 30 BDEDHN CC(C)C#CC(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000826768849 587361678 /nfs/dbraw/zinc/36/16/78/587361678.db2.gz GNWKBQBSUDURDQ-CQSZACIVSA-N 0 3 248.370 1.733 20 30 BDEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1C ZINC000827135376 587370611 /nfs/dbraw/zinc/37/06/11/587370611.db2.gz CHGVFJBYHVGBIU-NWDGAFQWSA-N 0 3 224.348 1.799 20 30 BDEDHN C#Cc1cnc(NCCN2CCCC[C@@H]2C)nc1 ZINC000827395942 587379742 /nfs/dbraw/zinc/37/97/42/587379742.db2.gz PDCLAAGPEWOXGU-LBPRGKRZSA-N 0 3 244.342 1.744 20 30 BDEDHN C#C[C@H](NCc1cnccc1C)C1CCOCC1 ZINC000827559524 587388089 /nfs/dbraw/zinc/38/80/89/587388089.db2.gz GTIPXVCTUUQFBK-HNNXBMFYSA-N 0 3 244.338 1.908 20 30 BDEDHN C#Cc1cnc(N2C[C@H](C)N(CC)C[C@@H]2C)nc1 ZINC000827840326 587405123 /nfs/dbraw/zinc/40/51/23/587405123.db2.gz PFFGQOPVWWVLRB-RYUDHWBXSA-N 0 3 244.342 1.377 20 30 BDEDHN 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C#CC[C@H](NC[C@@H]1COCCO1)c1ccccc1 ZINC000828687402 587457634 /nfs/dbraw/zinc/45/76/34/587457634.db2.gz KIKYZIFNSDONSZ-CABCVRRESA-N 0 3 245.322 1.756 20 30 BDEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2cccnc2)C1 ZINC000829522926 587502093 /nfs/dbraw/zinc/50/20/93/587502093.db2.gz QILFRCIEHCRVOS-GXTWGEPZSA-N 0 3 245.326 1.800 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@H](c2cccnc2)C1 ZINC000829522928 587502105 /nfs/dbraw/zinc/50/21/05/587502105.db2.gz QILFRCIEHCRVOS-OCCSQVGLSA-N 0 3 245.326 1.800 20 30 BDEDHN C#CC[C@@H]1CCCN(Cc2c(C)nnn2CC)C1 ZINC000829815582 587519516 /nfs/dbraw/zinc/51/95/16/587519516.db2.gz OTTYEILROZXESQ-CYBMUJFWSA-N 0 3 246.358 1.842 20 30 BDEDHN C#CC1CCN([C@@H](C)C(=O)NCC=C)CC1 ZINC000830311269 587545632 /nfs/dbraw/zinc/54/56/32/587545632.db2.gz JCZCYAUABVSVNY-NSHDSACASA-N 0 3 220.316 1.022 20 30 BDEDHN C=C(CN(C)C)C(=O)N(OC)[C@H](C)CC ZINC000830474236 587553572 /nfs/dbraw/zinc/55/35/72/587553572.db2.gz KKQLGIQEQOZNDT-SNVBAGLBSA-N 0 3 214.309 1.293 20 30 BDEDHN CC(C#N)C(=O)NCCc1nc2c(s1)CCC2 ZINC000831104778 587586304 /nfs/dbraw/zinc/58/63/04/587586304.db2.gz FGRSCMJWBRSONP-QMMMGPOBSA-N 0 3 249.339 1.450 20 30 BDEDHN C[C@@H](C#N)OCCN1CCSC[C@@H]1C1CC1 ZINC000831777771 587631284 /nfs/dbraw/zinc/63/12/84/587631284.db2.gz GBDGIRYPFGNFHV-CMPLNLGQSA-N 0 3 240.372 1.742 20 30 BDEDHN COc1ccnc(NNC=C2CC2(F)F)n1 ZINC000834938309 587771952 /nfs/dbraw/zinc/77/19/52/587771952.db2.gz GSHNAOWLNGQPEA-ZCFIWIBFSA-N 0 3 228.202 1.538 20 30 BDEDHN CC(C)OCCNN=C1CCc2cc(N)ccc21 ZINC000834970314 587774216 /nfs/dbraw/zinc/77/42/16/587774216.db2.gz LZDASKLLQKAZEL-UHFFFAOYSA-N 0 3 247.342 1.934 20 30 BDEDHN Nc1ccc2c(c1)CCCC2=NN[C@@H]1CCOC1 ZINC000834978784 587775340 /nfs/dbraw/zinc/77/53/40/587775340.db2.gz WBHIYKNHWJRLEF-GFCCVEGCSA-N 0 3 245.326 1.688 20 30 BDEDHN CC(C)(C)C#CC(=O)NCCN1CCCCC1 ZINC000837344646 587868401 /nfs/dbraw/zinc/86/84/01/587868401.db2.gz MFUGMHMLYOGERV-UHFFFAOYSA-N 0 3 236.359 1.638 20 30 BDEDHN C[C@@H]1CCCN(CCNC(=O)C#CC2CC2)C1 ZINC000837344210 587868436 /nfs/dbraw/zinc/86/84/36/587868436.db2.gz JZGIBUSEBQMGJM-GFCCVEGCSA-N 0 3 234.343 1.248 20 30 BDEDHN O=C(C#CC1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000837388415 587870235 /nfs/dbraw/zinc/87/02/35/587870235.db2.gz RREAYGXOIJPSGN-CYBMUJFWSA-N 0 3 232.327 1.097 20 30 BDEDHN CCN1CC[C@@H](N(C)C(=O)C#CC2CC2)[C@@H](C)C1 ZINC000837435025 587872739 /nfs/dbraw/zinc/87/27/39/587872739.db2.gz QLPWQFILJADVJP-GXTWGEPZSA-N 0 3 248.370 1.589 20 30 BDEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC000837480868 587876694 /nfs/dbraw/zinc/87/66/94/587876694.db2.gz MZYQUNMRWFXHGQ-KGLIPLIRSA-N 0 3 246.354 1.343 20 30 BDEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C#CC1CC1 ZINC000837587810 587884219 /nfs/dbraw/zinc/88/42/19/587884219.db2.gz LEHRGBUADLGKAC-CYBMUJFWSA-N 0 3 248.370 1.636 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H](CC)[C@@H](O)C(C)C ZINC000840523982 587909646 /nfs/dbraw/zinc/90/96/46/587909646.db2.gz HHOLGAQPOIVZRZ-RYUDHWBXSA-N 0 3 242.363 1.016 20 30 BDEDHN C#CCCCNCc1cnc(CC)nc1 ZINC000840905364 587928886 /nfs/dbraw/zinc/92/88/86/587928886.db2.gz QEONQMNFSDAAAL-UHFFFAOYSA-N 0 3 203.289 1.542 20 30 BDEDHN Cc1cc(N(C)C)ccc1C=NN[C@H](C)CO ZINC000841629348 587961953 /nfs/dbraw/zinc/96/19/53/587961953.db2.gz MLTKKZJGNKNELM-LLVKDONJSA-N 0 3 235.331 1.365 20 30 BDEDHN COCCN(C)N=Cc1ccc(N(C)C)cc1C ZINC000841637377 587964258 /nfs/dbraw/zinc/96/42/58/587964258.db2.gz RVZVKSBDONOJKT-UHFFFAOYSA-N 0 3 249.358 1.973 20 30 BDEDHN C#C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000841948591 587986293 /nfs/dbraw/zinc/98/62/93/587986293.db2.gz LVLFCVOPFUQUNO-CMPLNLGQSA-N 0 3 231.299 1.007 20 30 BDEDHN C#C[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000841980463 587987592 /nfs/dbraw/zinc/98/75/92/587987592.db2.gz SXURBENDWDHFFL-SNVBAGLBSA-N 0 3 243.310 1.111 20 30 BDEDHN CCN(CCO)N=C(C)c1ccc(N(C)C)cc1 ZINC000842534563 588035093 /nfs/dbraw/zinc/03/50/93/588035093.db2.gz SIVDVCSDRWEGQW-UHFFFAOYSA-N 0 3 249.358 1.791 20 30 BDEDHN CCN(CCO)N=C(C)c1ccccc1N(C)C ZINC000842536949 588036228 /nfs/dbraw/zinc/03/62/28/588036228.db2.gz 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226.364 1.999 20 30 BDEDHN C=C(C)CN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844315661 588183609 /nfs/dbraw/zinc/18/36/09/588183609.db2.gz YKUUERGVTUCKIS-LLVKDONJSA-N 0 3 224.304 1.478 20 30 BDEDHN C#CCN(C)CCN(C)c1ccc(OC)cc1 ZINC000844399730 588189571 /nfs/dbraw/zinc/18/95/71/588189571.db2.gz NGAODEDEGMFTTP-UHFFFAOYSA-N 0 3 232.327 1.696 20 30 BDEDHN C=C[C@@H](C)ONC(=O)NC[C@@H]1CCCN1CC ZINC000845632436 588238670 /nfs/dbraw/zinc/23/86/70/588238670.db2.gz ZKKLUPGXRMIRGZ-MNOVXSKESA-N 0 3 241.335 1.276 20 30 BDEDHN CCON(C)C(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000846064442 588255380 /nfs/dbraw/zinc/25/53/80/588255380.db2.gz MKTXVUJIPVTIAQ-MNOVXSKESA-N 0 3 239.319 1.068 20 30 BDEDHN CCC(C#N)C(=O)N(C)[C@H]1CC(C)(C)OC1=O ZINC000846215466 588260452 /nfs/dbraw/zinc/26/04/52/588260452.db2.gz KUFCEOLOXRFHLE-BDAKNGLRSA-N 0 3 238.287 1.089 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846414483 588265693 /nfs/dbraw/zinc/26/56/93/588265693.db2.gz ZZQGHCIJQNRVSD-SUNKGSAMSA-N 0 3 246.310 1.558 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H](CC)OC[C@H]1C ZINC000846430067 588265922 /nfs/dbraw/zinc/26/59/22/588265922.db2.gz AXKVJTBYHGSZBS-VXGBXAGGSA-N 0 3 240.347 1.130 20 30 BDEDHN N#CC1CCN(CC2(O)CCCCC2)CC1 ZINC000106384376 588269577 /nfs/dbraw/zinc/26/95/77/588269577.db2.gz OQYLJQDYOWPDLO-UHFFFAOYSA-N 0 3 222.332 1.917 20 30 BDEDHN C=C(C)CN(C)C[C@H]1CN(CC)C(=O)O1 ZINC000846849021 588293107 /nfs/dbraw/zinc/29/31/07/588293107.db2.gz QLINYIDZYPWMKG-JTQLQIEISA-N 0 3 212.293 1.335 20 30 BDEDHN CC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000846944540 588298168 /nfs/dbraw/zinc/29/81/68/588298168.db2.gz UYEAEJVJNDJXDD-WCQYABFASA-N 0 3 220.316 1.980 20 30 BDEDHN C=C(C)[C@H](CO)N(CC)CC(OCC)OCC ZINC000846974657 588299603 /nfs/dbraw/zinc/29/96/03/588299603.db2.gz MUTDTMLCAJRBEZ-LBPRGKRZSA-N 0 3 245.363 1.644 20 30 BDEDHN C#C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000847024151 588303697 /nfs/dbraw/zinc/30/36/97/588303697.db2.gz HJJKOWZQSVZOQG-LBPRGKRZSA-N 0 3 200.285 1.927 20 30 BDEDHN CCCCCCCCN[C@]1(C(N)=O)CCOC1 ZINC000847053673 588305279 /nfs/dbraw/zinc/30/52/79/588305279.db2.gz QYDOZUIAQKSXDN-CYBMUJFWSA-N 0 3 242.363 1.581 20 30 BDEDHN C#CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000848236643 588366344 /nfs/dbraw/zinc/36/63/44/588366344.db2.gz HHTBSGFSUDSBGY-ZIAGYGMSSA-N 0 3 248.370 1.590 20 30 BDEDHN C#CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000848238860 588366635 /nfs/dbraw/zinc/36/66/35/588366635.db2.gz WXBBASKYVQEQIN-GFCCVEGCSA-N 0 3 234.343 1.200 20 30 BDEDHN C#C[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC000848284091 588370539 /nfs/dbraw/zinc/37/05/39/588370539.db2.gz HHJNFSCWTAYPEB-GFCCVEGCSA-N 0 3 222.332 1.200 20 30 BDEDHN CC#CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848352136 588373213 /nfs/dbraw/zinc/37/32/13/588373213.db2.gz LQYCUEKUKRISQH-RYUDHWBXSA-N 0 3 220.316 1.143 20 30 BDEDHN COCCON=C1CCCN2CCCC[C@@H]12 ZINC000848407598 588378523 /nfs/dbraw/zinc/37/85/23/588378523.db2.gz RPKAWMZWNGNXEW-LBPRGKRZSA-N 0 3 226.320 1.654 20 30 BDEDHN c1cn(CCCN=NC2CCN3CCC[C@@H]23)cn1 ZINC000848418684 588382250 /nfs/dbraw/zinc/38/22/50/588382250.db2.gz PGZFKRAZPWFFEO-ZDUSSCGKSA-N 0 3 247.346 1.087 20 30 BDEDHN C#CCCCN[C@@H](C)c1cncnc1C ZINC000848529510 588392994 /nfs/dbraw/zinc/39/29/94/588392994.db2.gz OTPPVECAFCIRPJ-JTQLQIEISA-N 0 3 203.289 1.849 20 30 BDEDHN C[C@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000849141847 588454661 /nfs/dbraw/zinc/45/46/61/588454661.db2.gz JZKKNRGDGOYGMX-QMMMGPOBSA-N 0 3 245.261 1.357 20 30 BDEDHN C#C[C@@H](N[C@@H]1CCCC[C@H]1O)[C@H]1CCCO1 ZINC000849214320 588461582 /nfs/dbraw/zinc/46/15/82/588461582.db2.gz XUXGVCCOBLENEM-FDYHWXHSSA-N 0 3 223.316 1.060 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1F ZINC000109038949 588512791 /nfs/dbraw/zinc/51/27/91/588512791.db2.gz NROOGPAQWGTGPC-WCBMZHEXSA-N 0 3 248.257 1.384 20 30 BDEDHN C=CCC1(NCc2ccc(C)nn2)CCOCC1 ZINC000850368742 588541003 /nfs/dbraw/zinc/54/10/03/588541003.db2.gz PKQJHRGDXACYQM-UHFFFAOYSA-N 0 3 247.342 2.000 20 30 BDEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000850768158 588566422 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CCC(C#N)C(=O)N1CC[C@](F)(C#N)C1 ZINC000593648864 347920757 /nfs/dbraw/zinc/92/07/57/347920757.db2.gz ZCUQYSTUDIYLOH-SCZZXKLOSA-N 0 3 209.224 1.000 20 30 BDEDHN C[C@@H]1SCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000593912301 347970505 /nfs/dbraw/zinc/97/05/05/347970505.db2.gz CXXONCAXBIIBFD-IVZWLZJFSA-N 0 3 241.360 1.018 20 30 BDEDHN CC[C@@H](CC#N)NC[C@@H]1CCNC(=O)CC1 ZINC000594008548 347985019 /nfs/dbraw/zinc/98/50/19/347985019.db2.gz QTGMGMWNXKFSEA-QWRGUYRKSA-N 0 3 223.320 1.185 20 30 BDEDHN CCCN(CCN(C)C)C(=O)CCCCC#N ZINC000593980718 347986851 /nfs/dbraw/zinc/98/68/51/347986851.db2.gz OARJEZODBFUGGU-UHFFFAOYSA-N 0 3 239.363 1.871 20 30 BDEDHN CC#CCN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594046103 347988475 /nfs/dbraw/zinc/98/84/75/347988475.db2.gz PHUUXOSTKGOSSO-LBPRGKRZSA-N 0 3 225.332 1.966 20 30 BDEDHN N#CCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594194953 348020320 /nfs/dbraw/zinc/02/03/20/348020320.db2.gz BKPNPXSVULGUGB-QWHCGFSZSA-N 0 3 249.358 1.813 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCCC#N ZINC000594318639 348029963 /nfs/dbraw/zinc/02/99/63/348029963.db2.gz PLURKQMWXHMOLH-AAEUAGOBSA-N 0 3 249.358 1.669 20 30 BDEDHN CN1CCC[C@H](NC(=O)CCCCC#N)C1 ZINC000594283919 348030312 /nfs/dbraw/zinc/03/03/12/348030312.db2.gz OKTXRUQFMJOHST-NSHDSACASA-N 0 3 223.320 1.281 20 30 BDEDHN COCC1(CNC[C@@H](C#N)CCC#N)CC1 ZINC000594552182 348068408 /nfs/dbraw/zinc/06/84/08/348068408.db2.gz PEFONARRFGLGKP-LLVKDONJSA-N 0 3 221.304 1.446 20 30 BDEDHN CN1CCC[C@H]1CNC(=O)CCCCC#N ZINC000594290804 348031110 /nfs/dbraw/zinc/03/11/10/348031110.db2.gz SVXRLNSTVDXFJV-NSHDSACASA-N 0 3 223.320 1.281 20 30 BDEDHN C[C@@H]1CCN(CC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000594339538 348036180 /nfs/dbraw/zinc/03/61/80/348036180.db2.gz QVQPXWBQHACTIM-OCCSQVGLSA-N 0 3 249.358 1.480 20 30 BDEDHN CN(C)C1(CNC(=O)CCCCC#N)CCC1 ZINC000594345473 348037468 /nfs/dbraw/zinc/03/74/68/348037468.db2.gz CNYUVDGCFUONOU-UHFFFAOYSA-N 0 3 237.347 1.671 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 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ZINC000594444501 348055455 /nfs/dbraw/zinc/05/54/55/348055455.db2.gz NPPSGECMOHNYLG-VHSXEESVSA-N 0 3 243.376 1.265 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1CC ZINC000449549543 201963147 /nfs/dbraw/zinc/96/31/47/201963147.db2.gz YWRLLZLBDBVZIN-OLZOCXBDSA-N 0 3 235.331 1.726 20 30 BDEDHN CC1CC(NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594447930 348056307 /nfs/dbraw/zinc/05/63/07/348056307.db2.gz XYLFJWSZQFZIML-VQXHTEKXSA-N 0 3 223.320 1.312 20 30 BDEDHN COC1CC(CCNC[C@H](C#N)CCC#N)C1 ZINC000594724908 348108055 /nfs/dbraw/zinc/10/80/55/348108055.db2.gz RRSQRXGIPPSYNQ-CPCZMJQVSA-N 0 3 235.331 1.835 20 30 BDEDHN CC[C@H](N)c1cn(-c2ccccc2C#N)nn1 ZINC000594651267 348089834 /nfs/dbraw/zinc/08/98/34/348089834.db2.gz HDZWXTOACSVXJF-JTQLQIEISA-N 0 3 227.271 1.549 20 30 BDEDHN CC[C@@](C)(N)c1cn(CC2(C#N)CCCC2)nn1 ZINC000594658137 348093326 /nfs/dbraw/zinc/09/33/26/348093326.db2.gz LRVKYDCEDXLWRE-GFCCVEGCSA-N 0 3 247.346 1.946 20 30 BDEDHN Cn1nncc1CNCCc1ccc(C#N)cc1 ZINC000594956121 348149103 /nfs/dbraw/zinc/14/91/03/348149103.db2.gz UPDSIEOVUCFDMI-UHFFFAOYSA-N 0 3 241.298 1.019 20 30 BDEDHN N#Cc1csc(CNC/C=C\CO)c1 ZINC000594975359 348162631 /nfs/dbraw/zinc/16/26/31/348162631.db2.gz RYABFMGNRNZKMQ-UPHRSURJSA-N 0 3 208.286 1.258 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCn3nccc32)C1 ZINC000595032387 348175357 /nfs/dbraw/zinc/17/53/57/348175357.db2.gz IYQFNFNPAZLJCM-UTUOFQBUSA-N 0 3 230.315 2.000 20 30 BDEDHN COCCN(C)CCc1ccc(C#N)cc1 ZINC000595293246 348215402 /nfs/dbraw/zinc/21/54/02/348215402.db2.gz IKJHXCUOTSHCHW-UHFFFAOYSA-N 0 3 218.300 1.679 20 30 BDEDHN C[C@H](NC/C=C/CO)c1ccc(C#N)c(F)c1 ZINC000595069901 348188128 /nfs/dbraw/zinc/18/81/28/348188128.db2.gz LXDUBXQPOBCMOH-PBKGFPTLSA-N 0 3 234.274 1.896 20 30 BDEDHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cccc(C#N)c1 ZINC000595104207 348195872 /nfs/dbraw/zinc/19/58/72/348195872.db2.gz QOAGWEXMMLSVBH-OASPWFOLSA-N 0 3 216.284 1.732 20 30 BDEDHN C[C@@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595256132 348203781 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348283257 /nfs/dbraw/zinc/28/32/57/348283257.db2.gz MDOJUMOGWRHSGN-AVGNSLFASA-N 0 3 249.358 1.621 20 30 BDEDHN C=CCN(CCOC)CCOCC1CCC1 ZINC000419262654 192116875 /nfs/dbraw/zinc/11/68/75/192116875.db2.gz WRPAAOHNNKBIRC-UHFFFAOYSA-N 0 3 227.348 1.938 20 30 BDEDHN COC[C@@H](NCC1(C#N)CC1)C1CCOCC1 ZINC000595617979 348289734 /nfs/dbraw/zinc/28/97/34/348289734.db2.gz ZJTYGONHSCIVRV-GFCCVEGCSA-N 0 3 238.331 1.321 20 30 BDEDHN CCN(C)C(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595618213 348289958 /nfs/dbraw/zinc/28/99/58/348289958.db2.gz YZBPLUDSYBFMIZ-LBPRGKRZSA-N 0 3 237.347 1.480 20 30 BDEDHN C[C@H](O)[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000595765936 348334060 /nfs/dbraw/zinc/33/40/60/348334060.db2.gz MDFMTNVQAPDXNT-SMDDNHRTSA-N 0 3 230.311 1.903 20 30 BDEDHN C[C@H](O)[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000595765929 348334326 /nfs/dbraw/zinc/33/43/26/348334326.db2.gz LYQDXKWULFLGTF-GXFFZTMASA-N 0 3 231.299 1.298 20 30 BDEDHN CC[C@@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595960641 348405338 /nfs/dbraw/zinc/40/53/38/348405338.db2.gz MOCINNUOKYHTEP-GFCCVEGCSA-N 0 3 245.326 1.647 20 30 BDEDHN C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595979609 348414138 /nfs/dbraw/zinc/41/41/38/348414138.db2.gz CBKBVUGUUIPUHX-WZRBSPASSA-N 0 3 235.331 1.137 20 30 BDEDHN C[C@@]1(C#N)CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000595980708 348415158 /nfs/dbraw/zinc/41/51/58/348415158.db2.gz JGCVVPLVIYJPOU-LBPRGKRZSA-N 0 3 247.342 1.410 20 30 BDEDHN C=CCCC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000595982659 348417270 /nfs/dbraw/zinc/41/72/70/348417270.db2.gz LACMKPHFQIHKDI-NSHDSACASA-N 0 3 237.347 1.869 20 30 BDEDHN CN(CC(=O)NC1(C#N)CCC1)C[C@H]1CC1(C)C ZINC000595911557 348398630 /nfs/dbraw/zinc/39/86/30/348398630.db2.gz YNVSLOLHXVILTN-LLVKDONJSA-N 0 3 249.358 1.527 20 30 BDEDHN C=CCNC(=O)[C@@H](C)N(C)CCCCOC ZINC000419391881 192130579 /nfs/dbraw/zinc/13/05/79/192130579.db2.gz XHIHKZRPJUHACB-LLVKDONJSA-N 0 3 228.336 1.036 20 30 BDEDHN CCCN1CC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000596066048 348436967 /nfs/dbraw/zinc/43/69/67/348436967.db2.gz NWWOIMCGFKMMBH-QWHCGFSZSA-N 0 3 234.347 1.504 20 30 BDEDHN C[C@@H]1CCCN(CCNc2c(C#N)cnn2C)C1 ZINC000596075322 348438917 /nfs/dbraw/zinc/43/89/17/348438917.db2.gz HBJATZFFINPIST-LLVKDONJSA-N 0 3 247.346 1.436 20 30 BDEDHN CN(CCN1CCCCC1)c1c(C#N)cnn1C ZINC000596293455 348489428 /nfs/dbraw/zinc/48/94/28/348489428.db2.gz DAXDSKUIJJECLN-UHFFFAOYSA-N 0 3 247.346 1.214 20 30 BDEDHN Cc1cc(N(C)CC2CN(C)C2)cc(C#N)n1 ZINC000596453700 348552156 /nfs/dbraw/zinc/55/21/56/348552156.db2.gz MALQNCLRUJXMJM-UHFFFAOYSA-N 0 3 230.315 1.260 20 30 BDEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccnc(C#N)c1 ZINC000128495214 348583060 /nfs/dbraw/zinc/58/30/60/348583060.db2.gz FNMONEOFKYWSKB-NWDGAFQWSA-N 0 3 231.299 1.202 20 30 BDEDHN CCN1CCC(NC(=O)[C@@H](C)CC#N)CC1 ZINC000596672604 348601752 /nfs/dbraw/zinc/60/17/52/348601752.db2.gz DDUARYGZRUGHER-JTQLQIEISA-N 0 3 223.320 1.137 20 30 BDEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccnc(C#N)c1 ZINC000128494802 348571492 /nfs/dbraw/zinc/57/14/92/348571492.db2.gz FNMONEOFKYWSKB-RYUDHWBXSA-N 0 3 231.299 1.202 20 30 BDEDHN CC(C)N1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597122978 348663867 /nfs/dbraw/zinc/66/38/67/348663867.db2.gz CMDRFIUTUWQEFL-LBPRGKRZSA-N 0 3 237.347 1.479 20 30 BDEDHN CC(C)CN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597158796 348666632 /nfs/dbraw/zinc/66/66/32/348666632.db2.gz GANPKHGXFMEKLS-LBPRGKRZSA-N 0 3 239.363 1.582 20 30 BDEDHN CC(C)CN(CCN(C)C)C(=O)[C@H](C)CC#N ZINC000597158789 348666761 /nfs/dbraw/zinc/66/67/61/348666761.db2.gz GANPKHGXFMEKLS-GFCCVEGCSA-N 0 3 239.363 1.582 20 30 BDEDHN CN(Cc1ccc(C#N)cc1F)CC1CN(C)C1 ZINC000597202478 348676216 /nfs/dbraw/zinc/67/62/16/348676216.db2.gz CHESEVBYMVANJB-UHFFFAOYSA-N 0 3 247.317 1.691 20 30 BDEDHN CN(Cc1ccc(C#N)s1)CC1CN(C)C1 ZINC000597203676 348677713 /nfs/dbraw/zinc/67/77/13/348677713.db2.gz VENYZLDIDHRDHQ-UHFFFAOYSA-N 0 3 235.356 1.613 20 30 BDEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)CC#N ZINC000597205811 348678529 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ZINC000662612197 412242110 /nfs/dbraw/zinc/24/21/10/412242110.db2.gz URWVLTXMXIDHSX-MRVPVSSYSA-N 0 3 236.340 1.698 20 30 BDEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000662857846 412326921 /nfs/dbraw/zinc/32/69/21/412326921.db2.gz RDTXNSPPBVXNNG-STQMWFEESA-N 0 3 236.359 1.943 20 30 BDEDHN C=CCOCCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000662874318 412332353 /nfs/dbraw/zinc/33/23/53/412332353.db2.gz WUOIPPUGNOZMTQ-NEPJUHHUSA-N 0 3 240.347 1.083 20 30 BDEDHN CC[C@](C)(O)CNCc1ccc(C#N)o1 ZINC000135485232 171702945 /nfs/dbraw/zinc/70/29/45/171702945.db2.gz UWGVHCWLUIQSKQ-NSHDSACASA-N 0 3 208.261 1.402 20 30 BDEDHN CCn1cc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000309936967 172174098 /nfs/dbraw/zinc/17/40/98/172174098.db2.gz AJPDOHDONWFABZ-CMPLNLGQSA-N 0 3 218.304 1.685 20 30 BDEDHN CN1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000227596627 173033060 /nfs/dbraw/zinc/03/30/60/173033060.db2.gz GQYIRWMFKMVEII-CYBMUJFWSA-N 0 3 247.317 1.881 20 30 BDEDHN CN1C[C@H](NCc2ccc(C#N)s2)CCC1=O ZINC000135693040 173194600 /nfs/dbraw/zinc/19/46/00/173194600.db2.gz LJXSJECARHZNKA-SECBINFHSA-N 0 3 249.339 1.330 20 30 BDEDHN CNC(=O)[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC000176366317 173294227 /nfs/dbraw/zinc/29/42/27/173294227.db2.gz NCCQDTHNVLBJJB-NSHDSACASA-N 0 3 245.326 1.372 20 30 BDEDHN COCCOCCN[C@@H](C)c1cccc(C#N)c1 ZINC000044694381 174358610 /nfs/dbraw/zinc/35/86/10/174358610.db2.gz LXENZCQOAXLAKD-LBPRGKRZSA-N 0 3 248.326 1.872 20 30 BDEDHN COc1ccc(CNC2CC2)cc1C#N ZINC000083729886 175105860 /nfs/dbraw/zinc/10/58/60/175105860.db2.gz YKIDBBNLLKORGB-UHFFFAOYSA-N 0 3 202.257 1.819 20 30 BDEDHN C[C@H](NCCn1cnc(C#N)n1)c1ccoc1 ZINC000556925308 322931278 /nfs/dbraw/zinc/93/12/78/322931278.db2.gz PJPSLPXBBRGROD-VIFPVBQESA-N 0 3 231.259 1.094 20 30 BDEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@H]1O ZINC000299891090 176168181 /nfs/dbraw/zinc/16/81/81/176168181.db2.gz GPECFHWEWTYTHR-GHMZBOCLSA-N 0 3 210.321 1.629 20 30 BDEDHN CC(C#N)C(=O)N(C)CCc1ccccn1 ZINC000044813284 176551166 /nfs/dbraw/zinc/55/11/66/176551166.db2.gz CVBPBFVLQIKRGN-SNVBAGLBSA-N 0 3 217.272 1.242 20 30 BDEDHN C[C@@H](NC[C@H](C)CO)c1ccc(C#N)c(F)c1 ZINC000271916326 176694033 /nfs/dbraw/zinc/69/40/33/176694033.db2.gz GHLAYBVJPGWYHE-VHSXEESVSA-N 0 3 236.290 1.976 20 30 BDEDHN C[C@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000161859606 177009607 /nfs/dbraw/zinc/00/96/07/177009607.db2.gz KELFZTDNUBIDEU-SMDDNHRTSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](O)C1 ZINC000265462528 177032862 /nfs/dbraw/zinc/03/28/62/177032862.db2.gz GYLOMVCVIIYRNS-ZWNOBZJWSA-N 0 3 216.284 1.686 20 30 BDEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](O)C1 ZINC000118399780 177033304 /nfs/dbraw/zinc/03/33/04/177033304.db2.gz GYLOMVCVIIYRNS-MFKMUULPSA-N 0 3 216.284 1.686 20 30 BDEDHN C[C@H]1CCN(C)CCN1Cc1ccc(C#N)o1 ZINC000336472074 177157704 /nfs/dbraw/zinc/15/77/04/177157704.db2.gz WDAACJUUPSFQDJ-NSHDSACASA-N 0 3 233.315 1.677 20 30 BDEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000276774578 177163780 /nfs/dbraw/zinc/16/37/80/177163780.db2.gz 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/nfs/dbraw/zinc/48/65/07/582486507.db2.gz SVWOCKLGAJOWRH-NSHDSACASA-N 0 3 238.331 1.609 20 30 BDEDHN C#C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC000890656564 582495135 /nfs/dbraw/zinc/49/51/35/582495135.db2.gz ZRMZOPDHRWVHGY-GFCCVEGCSA-N 0 3 234.343 1.485 20 30 BDEDHN Cc1ncccc1CCNC(=O)C(C)C#N ZINC000890833730 582578425 /nfs/dbraw/zinc/57/84/25/582578425.db2.gz PBVPOLIDPOWNOK-VIFPVBQESA-N 0 3 217.272 1.208 20 30 BDEDHN Cc1nc2ccccn2c1CNC(=O)C(C)C#N ZINC000890854444 582580771 /nfs/dbraw/zinc/58/07/71/582580771.db2.gz DYAJYSAHYJKPNT-SECBINFHSA-N 0 3 242.282 1.419 20 30 BDEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000845635613 582621714 /nfs/dbraw/zinc/62/17/14/582621714.db2.gz ZGUQSSFUYNHPGC-UWVGGRQHSA-N 0 3 239.319 1.028 20 30 BDEDHN C=C[C@H](C)ONC(=O)c1cccc(CN(C)C)c1 ZINC000846548050 582656948 /nfs/dbraw/zinc/65/69/48/582656948.db2.gz ROHMUWVGCMYNOQ-NSHDSACASA-N 0 3 248.326 1.984 20 30 BDEDHN C=C[C@@H](C)ONC(=O)c1cccc(CN(C)C)c1 ZINC000846548026 582657315 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/nfs/dbraw/zinc/10/36/29/583103629.db2.gz AJMJZETUOTVAIS-NWDGAFQWSA-N 0 3 239.315 1.100 20 30 BDEDHN C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)cc(N)n1 ZINC000893660490 583189741 /nfs/dbraw/zinc/18/97/41/583189741.db2.gz ZPUAHVRADFLIOK-CMPLNLGQSA-N 0 3 248.330 1.760 20 30 BDEDHN C=CC(C)(C)CNc1ccncc1CO ZINC000894058677 583291450 /nfs/dbraw/zinc/29/14/50/583291450.db2.gz PZRPWRRMAFJCTK-UHFFFAOYSA-N 0 3 206.289 1.620 20 30 BDEDHN CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@H]1OC ZINC000894198124 583336920 /nfs/dbraw/zinc/33/69/20/583336920.db2.gz VQNFDKJEVCYQRY-QJPTWQEYSA-N 0 3 238.331 1.462 20 30 BDEDHN C#CCCCCCN1CCN(c2ncc[nH]2)CC1 ZINC000878516738 583378924 /nfs/dbraw/zinc/37/89/24/583378924.db2.gz FRAAJGXOKCQRMX-UHFFFAOYSA-N 0 3 246.358 1.725 20 30 BDEDHN Cc1ccnc(N)c1CNCCCC#N ZINC000894445216 583460973 /nfs/dbraw/zinc/46/09/73/583460973.db2.gz OYIMUYFJTGCICJ-UHFFFAOYSA-N 0 3 204.277 1.366 20 30 BDEDHN C=CCCN(C)Cc1c(C)ccnc1N ZINC000894533540 583479110 /nfs/dbraw/zinc/47/91/10/583479110.db2.gz RGVLMPNRPWJCNJ-UHFFFAOYSA-N 0 3 205.305 1.980 20 30 BDEDHN C=CCCO[N-]C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000857329766 588905892 /nfs/dbraw/zinc/90/58/92/588905892.db2.gz BDPZXXNAIHQEMT-LBPRGKRZSA-N 0 3 240.347 1.875 20 30 BDEDHN C=CCCO[N-]C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000857329766 588905893 /nfs/dbraw/zinc/90/58/93/588905893.db2.gz BDPZXXNAIHQEMT-LBPRGKRZSA-N 0 3 240.347 1.875 20 30 BDEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)CO ZINC000857330225 588906202 /nfs/dbraw/zinc/90/62/02/588906202.db2.gz PWIFANZXUCKXPJ-NWDGAFQWSA-N 0 3 242.363 1.160 20 30 BDEDHN C=CCC[C@@H](CO)NCc1cnc(F)cc1C ZINC000894770606 583517157 /nfs/dbraw/zinc/51/71/57/583517157.db2.gz WSDVYZRXPCWIJZ-LBPRGKRZSA-N 0 3 238.306 1.946 20 30 BDEDHN Cc1nnc([C@H](C)NC[C@@H](C)CCC#N)[nH]1 ZINC000894774856 583517498 /nfs/dbraw/zinc/51/74/98/583517498.db2.gz YGIPQHDWCLAKOD-IUCAKERBSA-N 0 3 221.308 1.704 20 30 BDEDHN Cc1nnc([C@H](C)[NH2+]C[C@@H](C)CCC#N)[n-]1 ZINC000894774856 583517500 /nfs/dbraw/zinc/51/75/00/583517500.db2.gz 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ZINC000895175943 583615804 /nfs/dbraw/zinc/61/58/04/583615804.db2.gz LHFSVMNRSSBKMW-NXEZZACHSA-N 0 3 238.335 1.916 20 30 BDEDHN C#C[C@@H]1CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000895184824 583619281 /nfs/dbraw/zinc/61/92/81/583619281.db2.gz XCYVQXZFRVNANB-GFCCVEGCSA-N 0 3 217.316 1.872 20 30 BDEDHN C#CCNC(=O)CN[C@H](CCC)c1ccccc1 ZINC000727311113 583629930 /nfs/dbraw/zinc/62/99/30/583629930.db2.gz WXSVWINXTJBWPB-CQSZACIVSA-N 0 3 244.338 1.867 20 30 BDEDHN C=CCONC(=O)NCCN1CCC(C)(C)C1 ZINC000895244959 583631361 /nfs/dbraw/zinc/63/13/61/583631361.db2.gz BGYJTWYSDUKPNZ-UHFFFAOYSA-N 0 3 241.335 1.135 20 30 BDEDHN C=C[C@H](CO)N[C@@H](C)CC1(C#N)CCOCC1 ZINC000895340665 583654419 /nfs/dbraw/zinc/65/44/19/583654419.db2.gz ZQQZSBLTRPPLSA-NWDGAFQWSA-N 0 3 238.331 1.222 20 30 BDEDHN C[C@H](O)C1(NCC#Cc2ccccc2)CC1 ZINC000895441733 583675412 /nfs/dbraw/zinc/67/54/12/583675412.db2.gz FOICNRRIVFMIMJ-LBPRGKRZSA-N 0 3 215.296 1.541 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(C(=O)OC)c(C)c1 ZINC000895458028 583677137 /nfs/dbraw/zinc/67/71/37/583677137.db2.gz ALWOKHICBULPNW-GFCCVEGCSA-N 0 3 249.310 1.418 20 30 BDEDHN C=C[C@H](C)ONC(=O)NCCN1CCC[C@H]1C ZINC000895578416 583694764 /nfs/dbraw/zinc/69/47/64/583694764.db2.gz JVJJXMOQECUUGD-MNOVXSKESA-N 0 3 241.335 1.276 20 30 BDEDHN C#CCC1(O)CCN(Cc2ccc(C)o2)CC1 ZINC000895675447 583704321 /nfs/dbraw/zinc/70/43/21/583704321.db2.gz PPTUCVVDJBFOPG-UHFFFAOYSA-N 0 3 233.311 1.938 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cn(CC)nc1C ZINC000895668560 583705501 /nfs/dbraw/zinc/70/55/01/583705501.db2.gz MGXNECKGBHYXFV-CQSZACIVSA-N 0 3 249.358 1.729 20 30 BDEDHN Cc1cc(C#N)nc(N[C@H]2CCN(C)[C@H]2C)c1 ZINC000895733921 583716993 /nfs/dbraw/zinc/71/69/93/583716993.db2.gz HRUDUUYCOPZTBL-JQWIXIFHSA-N 0 3 230.315 1.766 20 30 BDEDHN C=CC[C@@H](C)[C@@H](C)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982748 583758334 /nfs/dbraw/zinc/75/83/34/583758334.db2.gz SNMVJPZFGAZARE-MXWKQRLJSA-N 0 3 245.388 1.752 20 30 BDEDHN C#Cc1cccnc1NC[C@H](CN(C)C)OCC ZINC000896111433 583772970 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VTRRKHSKSROUDX-NSHDSACASA-N 0 3 207.273 1.798 20 30 BDEDHN C#CC[C@@H](COC)NCc1ccc(F)nc1 ZINC000858334679 588946686 /nfs/dbraw/zinc/94/66/86/588946686.db2.gz FPRBCAJRNHNAQT-NSHDSACASA-N 0 3 222.263 1.349 20 30 BDEDHN C#CC[C@@H](COC)NCc1cc2cccnc2o1 ZINC000858334022 588946695 /nfs/dbraw/zinc/94/66/95/588946695.db2.gz GDQXUTOTCQNSBG-LBPRGKRZSA-N 0 3 244.294 1.956 20 30 BDEDHN C#CC[C@H](CCOC)NCc1ccncc1C ZINC000858334139 588946782 /nfs/dbraw/zinc/94/67/82/588946782.db2.gz HTHQNUGTVWRNRJ-CQSZACIVSA-N 0 3 232.327 1.908 20 30 BDEDHN C#CC[C@@H](COC)NCc1ccc(Cl)nc1 ZINC000858335579 588947266 /nfs/dbraw/zinc/94/72/66/588947266.db2.gz YYAKNURPZUCCKY-NSHDSACASA-N 0 3 238.718 1.863 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000729474556 584015165 /nfs/dbraw/zinc/01/51/65/584015165.db2.gz JHXJOWFJPBYADA-LLVKDONJSA-N 0 3 222.332 1.246 20 30 BDEDHN CC1(c2ccccc2)CC(N=NC(=N)N)C1 ZINC000729632854 584020622 /nfs/dbraw/zinc/02/06/22/584020622.db2.gz KUUIMDNOKSBFKW-UHFFFAOYSA-N 0 3 216.288 1.577 20 30 BDEDHN C#Cc1ccc(CN[C@H]2CC23CC(O)C3)cc1 ZINC000897846511 584054269 /nfs/dbraw/zinc/05/42/69/584054269.db2.gz QLUPZQHJLJLOFZ-SLTAFYQDSA-N 0 3 227.307 1.671 20 30 BDEDHN C=CC[C@H](C)[C@H](C)NCc1cnn(CC)n1 ZINC000858442947 588955602 /nfs/dbraw/zinc/95/56/02/588955602.db2.gz DGRQNZOEMFRUTH-QWRGUYRKSA-N 0 3 222.336 1.988 20 30 BDEDHN C=CC[C@@H](C)[C@H](C)NCc1cnn(CC)n1 ZINC000858442931 588955646 /nfs/dbraw/zinc/95/56/46/588955646.db2.gz DGRQNZOEMFRUTH-MNOVXSKESA-N 0 3 222.336 1.988 20 30 BDEDHN N#Cc1ccc(CNCC[C@@H](O)C2CC2)o1 ZINC000898203255 584090466 /nfs/dbraw/zinc/09/04/66/584090466.db2.gz SOWMBZGDRNDEQL-GFCCVEGCSA-N 0 3 220.272 1.402 20 30 BDEDHN C=CCN1CCC(C(=O)NCC(C)C)CC1 ZINC000898299157 584108533 /nfs/dbraw/zinc/10/85/33/584108533.db2.gz BVLIFQUMFDMNQX-UHFFFAOYSA-N 0 3 224.348 1.657 20 30 BDEDHN C=CC(C)(C)NC[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000898460959 584137800 /nfs/dbraw/zinc/13/78/00/584137800.db2.gz WZPUBNHUXKUUKU-SFYZADRCSA-N 0 3 233.258 1.595 20 30 BDEDHN CC(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000900638878 584334878 /nfs/dbraw/zinc/33/48/78/584334878.db2.gz SCCLDWVGGCNORE-AVGNSLFASA-N 0 3 249.358 1.668 20 30 BDEDHN N#C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCCN12)C1CC1 ZINC000900639492 584334918 /nfs/dbraw/zinc/33/49/18/584334918.db2.gz YGEZFMPUZWAIFN-RWMBFGLXSA-N 0 3 247.342 1.422 20 30 BDEDHN CC(=NN[C@@H](C)C(C)(C)C)c1c[nH]c(N)n1 ZINC000901245537 584407640 /nfs/dbraw/zinc/40/76/40/584407640.db2.gz FBUMKRFOSDRDNS-QMMMGPOBSA-N 0 3 223.324 1.740 20 30 BDEDHN CCNN=Cc1ccc(OCCN(C)C)cc1 ZINC000901277928 584413433 /nfs/dbraw/zinc/41/34/33/584413433.db2.gz KIIHNXYXEFTKRS-UHFFFAOYSA-N 0 3 235.331 1.570 20 30 BDEDHN CCNN=C(C)c1ccc(OCCN(C)C)cc1 ZINC000901279306 584414126 /nfs/dbraw/zinc/41/41/26/584414126.db2.gz ONQTWRSZKKERKC-UHFFFAOYSA-N 0 3 249.358 1.961 20 30 BDEDHN CCNN=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000901281824 584415242 /nfs/dbraw/zinc/41/52/42/584415242.db2.gz ZTROEUXCZQDWNZ-UHFFFAOYSA-N 0 3 246.358 1.382 20 30 BDEDHN C=CCCC[C@H](C)NC(=O)C12CCN(CC1)C2 ZINC000901336491 584426787 /nfs/dbraw/zinc/42/67/87/584426787.db2.gz JZSLNELEASNODN-LBPRGKRZSA-N 0 3 236.359 1.943 20 30 BDEDHN C#CCCOC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000859015176 588988947 /nfs/dbraw/zinc/98/89/47/588988947.db2.gz TTWKFYZIBCDPFI-NWDGAFQWSA-N 0 3 238.331 1.561 20 30 BDEDHN C#CCCOC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000858938881 588986540 /nfs/dbraw/zinc/98/65/40/588986540.db2.gz OYEGOZDKGLXBGE-SNVBAGLBSA-N 0 3 224.304 1.219 20 30 BDEDHN C#CCCOC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000859057163 588994800 /nfs/dbraw/zinc/99/48/00/588994800.db2.gz BGHYPXDDVSJLCM-QWRGUYRKSA-N 0 3 236.315 1.361 20 30 BDEDHN C#CCCOC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000859062569 588995797 /nfs/dbraw/zinc/99/57/97/588995797.db2.gz RCQQLVHNOMEIIH-PWSUYJOCSA-N 0 3 236.315 1.219 20 30 BDEDHN C=CC[C@H](CO)NCc1ccccc1NC ZINC000902482478 584624162 /nfs/dbraw/zinc/62/41/62/584624162.db2.gz LTFZMGKPDOOFHN-GFCCVEGCSA-N 0 3 220.316 1.755 20 30 BDEDHN C[C@@H](NC1CCN(C)CC1)c1cc(C#N)ccn1 ZINC000902728510 584661800 /nfs/dbraw/zinc/66/18/00/584661800.db2.gz VNWBYPCEYBCRNG-LLVKDONJSA-N 0 3 244.342 1.698 20 30 BDEDHN C[C@@H](NC[C@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902766015 584667092 /nfs/dbraw/zinc/66/70/92/584667092.db2.gz WJPQBQDOXMOGAS-ZYHUDNBSSA-N 0 3 231.299 1.640 20 30 BDEDHN C[C@@H](O)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902804633 584671568 /nfs/dbraw/zinc/67/15/68/584671568.db2.gz TZFJOGPEPLTWGV-NXEZZACHSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@@H](NCC(C)(C)O)c1cc(C#N)ccn1 ZINC000902800016 584675276 /nfs/dbraw/zinc/67/52/76/584675276.db2.gz JLROPUOPSMKRDL-SECBINFHSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@@H](N[C@H](CCO)C1CC1)c1cc(C#N)ccn1 ZINC000902872139 584684280 /nfs/dbraw/zinc/68/42/80/584684280.db2.gz DOEJFRLCIGWEMZ-ZWNOBZJWSA-N 0 3 245.326 1.765 20 30 BDEDHN CC[C@@H](N[C@@H]1COC[C@H]1O)c1cccc(C#N)c1 ZINC000903010410 584717481 /nfs/dbraw/zinc/71/74/81/584717481.db2.gz LPJTUSVKSJLGCQ-MGPQQGTHSA-N 0 3 246.310 1.359 20 30 BDEDHN CC[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc(C#N)c1 ZINC000903072441 584726282 /nfs/dbraw/zinc/72/62/82/584726282.db2.gz LPJTUSVKSJLGCQ-MCIONIFRSA-N 0 3 246.310 1.359 20 30 BDEDHN N#CC1(CN[C@H]2CCC23CCOCC3)CC1 ZINC000903106410 584728586 /nfs/dbraw/zinc/72/85/86/584728586.db2.gz PLVYZCJCDSVYFX-NSHDSACASA-N 0 3 220.316 1.839 20 30 BDEDHN C#CCN(C)CCCNC(=O)OCCC(C)C ZINC000859173225 589013232 /nfs/dbraw/zinc/01/32/32/589013232.db2.gz YHYADENLGHGRCY-UHFFFAOYSA-N 0 3 240.347 1.714 20 30 BDEDHN N#Cc1cccc(CN[C@H](CCO)C2CC2)n1 ZINC000877058987 584889358 /nfs/dbraw/zinc/88/93/58/584889358.db2.gz IMMGIXCUQDTDJD-CYBMUJFWSA-N 0 3 231.299 1.204 20 30 BDEDHN C#CCCOC(=O)NC(C)(C)CN1CCCC1 ZINC000859183536 589015612 /nfs/dbraw/zinc/01/56/12/589015612.db2.gz LQTKTKNHIJXCOS-UHFFFAOYSA-N 0 3 238.331 1.610 20 30 BDEDHN C[C@H]1CC(=NOC[C@H]2CCOC2)CCN1C ZINC000788033698 584923529 /nfs/dbraw/zinc/92/35/29/584923529.db2.gz KNDLQNYYXQZJGV-QWRGUYRKSA-N 0 3 226.320 1.510 20 30 BDEDHN C=CCN(CCN1CCOCC1)C(C)C ZINC000732197308 584934609 /nfs/dbraw/zinc/93/46/09/584934609.db2.gz GECLFNRQZVCCQK-UHFFFAOYSA-N 0 3 212.337 1.215 20 30 BDEDHN CC[C@H](C(=O)NC1=NO[C@H](C)C1)N(CC)CC ZINC000765455999 584937717 /nfs/dbraw/zinc/93/77/17/584937717.db2.gz UZKOEQQVCVROBB-NXEZZACHSA-N 0 3 241.335 1.345 20 30 BDEDHN C#CCCNC(=O)NCCN1CCC(C)CC1 ZINC000733341055 584947072 /nfs/dbraw/zinc/94/70/72/584947072.db2.gz KXUUYZKTGHNNRR-UHFFFAOYSA-N 0 3 237.347 1.041 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@H]1CCCCC ZINC000767907386 584947284 /nfs/dbraw/zinc/94/72/84/584947284.db2.gz UTNGFPHWMAFJJS-CYBMUJFWSA-N 0 3 236.359 1.781 20 30 BDEDHN CC(C#N)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000733890954 584954601 /nfs/dbraw/zinc/95/46/01/584954601.db2.gz ONTHABBQVPLCGK-QWRGUYRKSA-N 0 3 244.294 1.514 20 30 BDEDHN C#CCN(CC)C(=O)CN(C)CCCCCC ZINC000735652568 584980546 /nfs/dbraw/zinc/98/05/46/584980546.db2.gz OAGMMBHAOLLJJQ-UHFFFAOYSA-N 0 3 238.375 1.980 20 30 BDEDHN C=CC[C@H](NC(=O)C(C)C#N)c1ccncc1 ZINC000736680247 585009532 /nfs/dbraw/zinc/00/95/32/585009532.db2.gz DPVBHZSOHYSVBV-JQWIXIFHSA-N 0 3 229.283 1.975 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000838077293 585045112 /nfs/dbraw/zinc/04/51/12/585045112.db2.gz RIOSUAYRCSARRR-WDEREUQCSA-N 0 3 210.321 1.265 20 30 BDEDHN C=CCONC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000838714289 585067419 /nfs/dbraw/zinc/06/74/19/585067419.db2.gz FUAQGMIZHDJCQY-NSHDSACASA-N 0 3 241.335 1.228 20 30 BDEDHN C=CCNC(=S)NC1CCN(C2CC2)CC1 ZINC000839422987 585103295 /nfs/dbraw/zinc/10/32/95/585103295.db2.gz FZDQMYVGVPZNEX-UHFFFAOYSA-N 0 3 239.388 1.263 20 30 BDEDHN CCC(=NNC(=N)N)c1cccc(OC)c1 ZINC000740759924 585106498 /nfs/dbraw/zinc/10/64/98/585106498.db2.gz DKYNDJIQBXKIAS-UHFFFAOYSA-N 0 3 220.276 1.292 20 30 BDEDHN C[C@@H]1CC(=NNC2CCCC2)CCN1C ZINC000741464638 585114440 /nfs/dbraw/zinc/11/44/40/585114440.db2.gz RVATZBHMCUDFPK-SNVBAGLBSA-N 0 3 209.337 1.989 20 30 BDEDHN C[C@@H]1CCCN1CCNc1nccnc1C#N ZINC000742426610 585125961 /nfs/dbraw/zinc/12/59/61/585125961.db2.gz YWQJBAJRXRLHBH-SNVBAGLBSA-N 0 3 231.303 1.244 20 30 BDEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NCCC#N)C1 ZINC000743873563 585141529 /nfs/dbraw/zinc/14/15/29/585141529.db2.gz QCFGTPIRTYGRAU-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN CC(=NN=C1CCN(C)[C@H](C)C1)c1cnccn1 ZINC000745203151 585157862 /nfs/dbraw/zinc/15/78/62/585157862.db2.gz DWKBNBLHFJDSDW-SNVBAGLBSA-N 0 3 245.330 1.756 20 30 BDEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NCCC#N ZINC000745948696 585161614 /nfs/dbraw/zinc/16/16/14/585161614.db2.gz RWZGMBLDDHXSTH-GHMZBOCLSA-N 0 3 223.320 1.137 20 30 BDEDHN CC(C)C[C@H]1CCN(CC(=O)NCCC#N)C1 ZINC000745947037 585161704 /nfs/dbraw/zinc/16/17/04/585161704.db2.gz OQPDBVXBUHMZMW-GFCCVEGCSA-N 0 3 237.347 1.384 20 30 BDEDHN C#CCCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000746312755 585167243 /nfs/dbraw/zinc/16/72/43/585167243.db2.gz AVSPWRBQKKWLRX-TXEJJXNPSA-N 0 3 222.332 1.389 20 30 BDEDHN C#CCCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000746312753 585167401 /nfs/dbraw/zinc/16/74/01/585167401.db2.gz AVSPWRBQKKWLRX-RYUDHWBXSA-N 0 3 222.332 1.389 20 30 BDEDHN C#CCCN1CCC(NC(=O)CCCC=C)CC1 ZINC000748321267 585190835 /nfs/dbraw/zinc/19/08/35/585190835.db2.gz NRSKZBPELOZYEA-UHFFFAOYSA-N 0 3 248.370 1.947 20 30 BDEDHN C=CCCCC(=O)C(C#N)C(=O)NCC=C ZINC000749025277 585198473 /nfs/dbraw/zinc/19/84/73/585198473.db2.gz CCROGFQYQRYCPH-SNVBAGLBSA-N 0 3 220.272 1.354 20 30 BDEDHN C=CCN(CC=C)CCCN1CCOC1=O ZINC000749331662 585201386 /nfs/dbraw/zinc/20/13/86/585201386.db2.gz RETODPBLFDXADI-UHFFFAOYSA-N 0 3 224.304 1.503 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000750684804 585218310 /nfs/dbraw/zinc/21/83/10/585218310.db2.gz VDOVNDCMDIHJFA-NSHDSACASA-N 0 3 234.299 1.578 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000750684803 585218338 /nfs/dbraw/zinc/21/83/38/585218338.db2.gz VDOVNDCMDIHJFA-LLVKDONJSA-N 0 3 234.299 1.578 20 30 BDEDHN C#CC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000753900476 585271740 /nfs/dbraw/zinc/27/17/40/585271740.db2.gz GGTLJGFPHDOOPW-CQSZACIVSA-N 0 3 244.338 1.601 20 30 BDEDHN C#CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000754000364 585274803 /nfs/dbraw/zinc/27/48/03/585274803.db2.gz OUQCIRLZUDHSDS-LBPRGKRZSA-N 0 3 220.316 1.097 20 30 BDEDHN CCCCCCCN1CCN2CCOC[C@H]2C1 ZINC000755205318 585296126 /nfs/dbraw/zinc/29/61/26/585296126.db2.gz IRPPIEACQLINLZ-CQSZACIVSA-N 0 3 240.391 1.973 20 30 BDEDHN Cc1ccnc(NN=Cc2cnc[nH]2)c1 ZINC000755769417 585306398 /nfs/dbraw/zinc/30/63/98/585306398.db2.gz DQMXYYZONOFJJC-UHFFFAOYSA-N 0 3 201.233 1.559 20 30 BDEDHN Cc1ccc(OC(F)F)c(C=NNC(=N)N)c1 ZINC000756814528 585323589 /nfs/dbraw/zinc/32/35/89/585323589.db2.gz AJBJGGHFYRFKMB-UHFFFAOYSA-N 0 3 242.229 1.413 20 30 BDEDHN CCc1nc2c(s1)C(=NNC(=N)N)CCC2 ZINC000756816521 585323759 /nfs/dbraw/zinc/32/37/59/585323759.db2.gz VTDIOIRGDKCQLU-UHFFFAOYSA-N 0 3 237.332 1.229 20 30 BDEDHN C#C[C@H](NCCc1ccccn1)[C@@H]1CCCO1 ZINC000839562771 585331171 /nfs/dbraw/zinc/33/11/71/585331171.db2.gz CCMDTEKKQCQTOO-KBPBESRZSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@H](NCCc1cncs1)[C@H]1CCCO1 ZINC000839562969 585331329 /nfs/dbraw/zinc/33/13/29/585331329.db2.gz DQDXZFRDBGDUQQ-NWDGAFQWSA-N 0 3 236.340 1.456 20 30 BDEDHN CC(C)[C@H]1CCC(N=NC(=N)N)C[C@@H]1C ZINC000758098044 585349076 /nfs/dbraw/zinc/34/90/76/585349076.db2.gz MGBCOTXISSJVJD-WCBMZHEXSA-N 0 3 210.325 1.918 20 30 BDEDHN C#CCCCCN[C@H](Cc1ccccc1)C(N)=O ZINC000758147001 585350790 /nfs/dbraw/zinc/35/07/90/585350790.db2.gz SJAFCFWAZIGSIL-CQSZACIVSA-N 0 3 244.338 1.476 20 30 BDEDHN C#CCCCCNC(=O)N1CCCN(C)CC1 ZINC000758885567 585361095 /nfs/dbraw/zinc/36/10/95/585361095.db2.gz IDEHLWXJZPLZGJ-UHFFFAOYSA-N 0 3 237.347 1.137 20 30 BDEDHN C#CCNC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000759787149 585380316 /nfs/dbraw/zinc/38/03/16/585380316.db2.gz JLAZRTIWUGPYCJ-GFCCVEGCSA-N 0 3 249.273 1.591 20 30 BDEDHN C#CCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000760323573 585390054 /nfs/dbraw/zinc/39/00/54/585390054.db2.gz RGAPDZJJZZHNKP-CYBMUJFWSA-N 0 3 234.343 1.343 20 30 BDEDHN CC(C#N)C(=O)NCCc1ccc(Cl)nc1 ZINC000760804646 585397652 /nfs/dbraw/zinc/39/76/52/585397652.db2.gz RJOOXOYCRIOPIO-QMMMGPOBSA-N 0 3 237.690 1.553 20 30 BDEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000760826854 585398517 /nfs/dbraw/zinc/39/85/17/585398517.db2.gz GSWBWCAKIFMHQC-GFCCVEGCSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCCCC(=O)N1CCC12CCN(C)CC2 ZINC000760837251 585398884 /nfs/dbraw/zinc/39/88/84/585398884.db2.gz DXTBAPJASNZQGJ-UHFFFAOYSA-N 0 3 234.343 1.487 20 30 BDEDHN CCN(CCC1CC1)CC(=O)NCCC#N ZINC000760890122 585401517 /nfs/dbraw/zinc/40/15/17/585401517.db2.gz WSSJSWRLTCUIOP-UHFFFAOYSA-N 0 3 223.320 1.138 20 30 BDEDHN C#CCOCCN(C)C[C@@H](O)Cc1ccccc1 ZINC000761109241 585410273 /nfs/dbraw/zinc/41/02/73/585410273.db2.gz PAXDDNSPZFLGTR-HNNXBMFYSA-N 0 3 247.338 1.172 20 30 BDEDHN C#CCCN1CCC(Nc2ccccn2)CC1 ZINC000761116286 585410648 /nfs/dbraw/zinc/41/06/48/585410648.db2.gz AKDPKIWBJVSHKD-UHFFFAOYSA-N 0 3 229.327 1.981 20 30 BDEDHN C=CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000763052470 585442326 /nfs/dbraw/zinc/44/23/26/585442326.db2.gz OTCOKTYLCYIBCF-SNVBAGLBSA-N 0 3 210.321 1.552 20 30 BDEDHN C=CCN(C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763735257 585453089 /nfs/dbraw/zinc/45/30/89/585453089.db2.gz OFQDWDDEWPMFRQ-NSHDSACASA-N 0 3 221.300 1.733 20 30 BDEDHN C#CCN1CCC(C(=O)Nc2n[nH]cc2C)CC1 ZINC000763788604 585454324 /nfs/dbraw/zinc/45/43/24/585454324.db2.gz SRHBWEPWRJPEEY-UHFFFAOYSA-N 0 3 246.314 1.002 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763897240 585456557 /nfs/dbraw/zinc/45/65/57/585456557.db2.gz XDLDBLOIXAWZCC-UHFFFAOYSA-N 0 3 249.270 1.651 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC[C@@H]1CC ZINC000763896964 585456624 /nfs/dbraw/zinc/45/66/24/585456624.db2.gz WZTMTUFVMCXBOA-LBPRGKRZSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cccc(F)c1 ZINC000763903961 585456915 /nfs/dbraw/zinc/45/69/15/585456915.db2.gz VZCGUQGJFIPXMO-UHFFFAOYSA-N 0 3 222.263 1.882 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCOCC(C)C ZINC000763973482 585458042 /nfs/dbraw/zinc/45/80/42/585458042.db2.gz SQIDZHFMTCZQMP-UHFFFAOYSA-N 0 3 242.363 1.283 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(C)cn1 ZINC000764157316 585461047 /nfs/dbraw/zinc/46/10/47/585461047.db2.gz UEWCJTZUGIVLRF-UHFFFAOYSA-N 0 3 219.288 1.446 20 30 BDEDHN C=C(CN(C)C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000764439971 585465796 /nfs/dbraw/zinc/46/57/96/585465796.db2.gz BDMFMYISKWCDBJ-LLVKDONJSA-N 0 3 236.359 1.894 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000764542048 585467304 /nfs/dbraw/zinc/46/73/04/585467304.db2.gz UCWMFRKZOVELHZ-MNOVXSKESA-N 0 3 242.388 1.457 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000764580748 585468273 /nfs/dbraw/zinc/46/82/73/585468273.db2.gz CYZZFRZXZIQSOH-CHWSQXEVSA-N 0 3 236.359 1.895 20 30 BDEDHN CC(C)O[C@H]1CC(=Nn2cnnc2)C1(C)C ZINC000764891784 585477340 /nfs/dbraw/zinc/47/73/40/585477340.db2.gz NTNDKVQXAUEIDR-JTQLQIEISA-N 0 3 222.292 1.706 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CC(C)C ZINC000765589035 585490675 /nfs/dbraw/zinc/49/06/75/585490675.db2.gz ULGSWRCBAVWLGA-MNOVXSKESA-N 0 3 236.315 1.680 20 30 BDEDHN C#CCCCN1CCC[C@H](NC(C)=O)C1 ZINC000766896206 585509804 /nfs/dbraw/zinc/50/98/04/585509804.db2.gz XXODIFCCDFJPBC-LBPRGKRZSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCCCN1CCN(Cc2cscn2)CC1 ZINC000766897007 585509960 /nfs/dbraw/zinc/50/99/60/585509960.db2.gz YUHUOWPSHXZLDT-UHFFFAOYSA-N 0 3 249.383 1.674 20 30 BDEDHN C#CCCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000766907225 585511063 /nfs/dbraw/zinc/51/10/63/585511063.db2.gz XBHCKERHNDCTRP-RYUDHWBXSA-N 0 3 220.316 1.143 20 30 BDEDHN C#CCC(C)(C)C(=O)NCCN1CCC[C@H]1C ZINC000767086347 585513750 /nfs/dbraw/zinc/51/37/50/585513750.db2.gz HMKVAECBAKHANH-GFCCVEGCSA-N 0 3 236.359 1.636 20 30 BDEDHN CC#CCCCC(=O)NCCN1CCC[C@@H]1C ZINC000767085751 585513801 /nfs/dbraw/zinc/51/38/01/585513801.db2.gz CSOZDXMNOHDKNB-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000767092825 585513908 /nfs/dbraw/zinc/51/39/08/585513908.db2.gz YZYOJYCGFKLJTR-WCQYABFASA-N 0 3 248.370 1.635 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@H]1CCC(C)C ZINC000767907621 585527993 /nfs/dbraw/zinc/52/79/93/585527993.db2.gz QBXPIAOESSUGNP-ZDUSSCGKSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCCC(=O)OCCN1CCCCC1 ZINC000770358985 585573076 /nfs/dbraw/zinc/57/30/76/585573076.db2.gz JVJVHNOFGRNYQK-UHFFFAOYSA-N 0 3 211.305 1.982 20 30 BDEDHN COc1cc(C#N)ccc1CN[C@@H](CO)C1CC1 ZINC000771811170 585600624 /nfs/dbraw/zinc/60/06/24/585600624.db2.gz BNUMBEYOXAOPES-ZDUSSCGKSA-N 0 3 246.310 1.427 20 30 BDEDHN N#CC(C(=O)Cc1ccco1)C(=O)N1CCCC1 ZINC000772645431 585619672 /nfs/dbraw/zinc/61/96/72/585619672.db2.gz ZLQMSRQWYOKMNP-NSHDSACASA-N 0 3 246.266 1.153 20 30 BDEDHN C#CCCCCC(=O)N[C@@H]1CN(CC)C[C@H]1C ZINC000773312830 585634800 /nfs/dbraw/zinc/63/48/00/585634800.db2.gz BHHWLXWCKCYFBN-CHWSQXEVSA-N 0 3 236.359 1.636 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccc(C)nc1 ZINC000773820781 585644586 /nfs/dbraw/zinc/64/45/86/585644586.db2.gz GXFKKEBWSCFILA-UHFFFAOYSA-N 0 3 233.315 1.124 20 30 BDEDHN C#CCNC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000773977403 585647688 /nfs/dbraw/zinc/64/76/88/585647688.db2.gz NWTLOYAFIQSLGU-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN CCOCCON=C1CN(C(C)C)C[C@H]1C ZINC000774435327 585658784 /nfs/dbraw/zinc/65/87/84/585658784.db2.gz GIVAOLSSDRONQH-LLVKDONJSA-N 0 3 228.336 1.756 20 30 BDEDHN C[C@@H]1CC(=NOC2CCOCC2)CCN1C ZINC000774433552 585658920 /nfs/dbraw/zinc/65/89/20/585658920.db2.gz PYILQGLHTRIMID-SNVBAGLBSA-N 0 3 226.320 1.652 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@H](CC)N(CC)CC ZINC000775382837 585676684 /nfs/dbraw/zinc/67/66/84/585676684.db2.gz ZYFNTVFLIWDKBU-MNOVXSKESA-N 0 3 210.321 1.245 20 30 BDEDHN C#C[C@@H](C)NC(=O)CCN(C)c1ccncc1 ZINC000775384398 585676741 /nfs/dbraw/zinc/67/67/41/585676741.db2.gz WSCCRKVRGJGBQT-LLVKDONJSA-N 0 3 231.299 1.046 20 30 BDEDHN C#C[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000775385220 585677091 /nfs/dbraw/zinc/67/70/91/585677091.db2.gz YQBJQUOCNZQVJU-STQMWFEESA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCNC(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000775434351 585677803 /nfs/dbraw/zinc/67/78/03/585677803.db2.gz LIARHCUFOSFAQE-ZDUSSCGKSA-N 0 3 244.338 1.703 20 30 BDEDHN C#C[C@H](N[C@@H](C)CCn1cccn1)[C@@H]1CCCO1 ZINC000775575232 585680707 /nfs/dbraw/zinc/68/07/07/585680707.db2.gz VDPGUJWFVBMPDF-IHRRRGAJSA-N 0 3 247.342 1.432 20 30 BDEDHN C#C[C@H](N[C@@H](COC)CC(C)C)[C@H]1CCCO1 ZINC000775574008 585680715 /nfs/dbraw/zinc/68/07/15/585680715.db2.gz MZPOCPHUHRFAOT-HZSPNIEDSA-N 0 3 239.359 1.818 20 30 BDEDHN C#C[C@H](NCCc1c(C)noc1C)[C@@H]1CCCO1 ZINC000775789824 585684901 /nfs/dbraw/zinc/68/49/01/585684901.db2.gz FCWCHVFGTDHBNK-KBPBESRZSA-N 0 3 248.326 1.604 20 30 BDEDHN C#C[C@@H](NCCN1CCCCC1)[C@H]1CCCO1 ZINC000775796370 585685109 /nfs/dbraw/zinc/68/51/09/585685109.db2.gz XJLCKPWLTCZXRW-ZIAGYGMSSA-N 0 3 236.359 1.243 20 30 BDEDHN C#C[C@H](NCCN1CCCCC1)[C@@H]1CCCO1 ZINC000775796367 585685212 /nfs/dbraw/zinc/68/52/12/585685212.db2.gz XJLCKPWLTCZXRW-KBPBESRZSA-N 0 3 236.359 1.243 20 30 BDEDHN C#C[C@@H](NCCCn1ccnc1)[C@@H]1CCCO1 ZINC000775796483 585685248 /nfs/dbraw/zinc/68/52/48/585685248.db2.gz YQAKDOULMBXCNL-OLZOCXBDSA-N 0 3 233.315 1.044 20 30 BDEDHN C#C[C@@H](NCCCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000775799525 585685289 /nfs/dbraw/zinc/68/52/89/585685289.db2.gz KRXGILUBVVNEHH-KGLIPLIRSA-N 0 3 247.342 1.123 20 30 BDEDHN C#C[C@H](NCC[C@@H]1CCCCO1)[C@H]1CCCO1 ZINC000775797023 585685326 /nfs/dbraw/zinc/68/53/26/585685326.db2.gz BTKZOYVCSJWWMN-MELADBBJSA-N 0 3 237.343 1.716 20 30 BDEDHN C#C[C@@H](NCCN1CCCCC1)[C@@H]1CCCO1 ZINC000775796368 585685347 /nfs/dbraw/zinc/68/53/47/585685347.db2.gz XJLCKPWLTCZXRW-KGLIPLIRSA-N 0 3 236.359 1.243 20 30 BDEDHN C#CCCN1CCN(C[C@@H](C)CC)CC1 ZINC000776595100 585702133 /nfs/dbraw/zinc/70/21/33/585702133.db2.gz CPXDGBFKGSOBSJ-ZDUSSCGKSA-N 0 3 208.349 1.673 20 30 BDEDHN C=CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000777547750 585715008 /nfs/dbraw/zinc/71/50/08/585715008.db2.gz GMCPNGQAIXVUHZ-LBPRGKRZSA-N 0 3 235.283 1.436 20 30 BDEDHN C=CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000777547750 585715009 /nfs/dbraw/zinc/71/50/09/585715009.db2.gz GMCPNGQAIXVUHZ-LBPRGKRZSA-N 0 3 235.283 1.436 20 30 BDEDHN CC(CC1CCC1)=NNC1=N[C@@H](C)CN1 ZINC000779792014 585763596 /nfs/dbraw/zinc/76/35/96/585763596.db2.gz NQEFMJKRHXDLGK-VIFPVBQESA-N 0 3 208.309 1.490 20 30 BDEDHN COc1ccc(N=NC2CCN(C)[C@@H](C)C2)nc1 ZINC000780264987 585776022 /nfs/dbraw/zinc/77/60/22/585776022.db2.gz CEYQWGOWRIPLPS-JTQLQIEISA-N 0 3 248.330 1.972 20 30 BDEDHN Fc1cc(N=NC2CCN3CCC[C@@H]23)ccn1 ZINC000781130150 585791191 /nfs/dbraw/zinc/79/11/91/585791191.db2.gz OWLPJFGAGUGYJD-NSHDSACASA-N 0 3 234.278 1.857 20 30 BDEDHN C#C[C@@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000782614999 585822516 /nfs/dbraw/zinc/82/25/16/585822516.db2.gz HTFUOFSCBFSZLR-LLVKDONJSA-N 0 3 237.347 1.134 20 30 BDEDHN C[C@@H]1CNC(NN=C[C@@H]2CCCC[C@H]2C)=N1 ZINC000783861973 585845010 /nfs/dbraw/zinc/84/50/10/585845010.db2.gz KCFNXXNEQRMPJH-MXWKQRLJSA-N 0 3 222.336 1.736 20 30 BDEDHN CC1CC(C#N)(C(=O)NCCN2CCC[C@@H]2C)C1 ZINC000783918455 585845759 /nfs/dbraw/zinc/84/57/59/585845759.db2.gz DXEUMRZORNKIJD-LXVYMNJGSA-N 0 3 249.358 1.527 20 30 BDEDHN C=CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000786101347 585887319 /nfs/dbraw/zinc/88/73/19/585887319.db2.gz FJKYJTDUEAODPB-ZDUSSCGKSA-N 0 3 249.310 1.826 20 30 BDEDHN C=CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000786101347 585887320 /nfs/dbraw/zinc/88/73/20/585887320.db2.gz FJKYJTDUEAODPB-ZDUSSCGKSA-N 0 3 249.310 1.826 20 30 BDEDHN CC#CC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000788291354 585921096 /nfs/dbraw/zinc/92/10/96/585921096.db2.gz SDOLPTGPOLILMW-VXGBXAGGSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCCCN1C[C@H](C)OC2(CCOCC2)C1 ZINC000790366272 585964065 /nfs/dbraw/zinc/96/40/65/585964065.db2.gz GUGVWNICFGIALH-ZDUSSCGKSA-N 0 3 237.343 1.670 20 30 BDEDHN C=CCN(CC=C)C(=O)C1(N(C)C)CCC1 ZINC000791124760 585974260 /nfs/dbraw/zinc/97/42/60/585974260.db2.gz VACQPMDEAPOLLV-UHFFFAOYSA-N 0 3 222.332 1.671 20 30 BDEDHN C#CC(C)(C)N(C)CCOC1CCOCC1 ZINC000859280322 589026958 /nfs/dbraw/zinc/02/69/58/589026958.db2.gz JUTNXMLYVMLYOM-UHFFFAOYSA-N 0 3 225.332 1.526 20 30 BDEDHN C[C@](CO)(NCC#Cc1ccccc1)C1CC1 ZINC000792277334 585998554 /nfs/dbraw/zinc/99/85/54/585998554.db2.gz KTHGMCZCYYJYDV-OAHLLOKOSA-N 0 3 229.323 1.789 20 30 BDEDHN CCN1CCC(=NN(C)CCOC)[C@H](C)C1 ZINC000794962900 586057939 /nfs/dbraw/zinc/05/79/39/586057939.db2.gz AOURLJOPZMYOCP-LLVKDONJSA-N 0 3 227.352 1.282 20 30 BDEDHN Fc1cccc(N=NC2CCN3CCC[C@@H]23)n1 ZINC000795006036 586064360 /nfs/dbraw/zinc/06/43/60/586064360.db2.gz BOSZVBQWKJCNPL-JTQLQIEISA-N 0 3 234.278 1.857 20 30 BDEDHN C[C@@H](C#N)CNCC1CCC2(CC1)OCCO2 ZINC000795950957 586095031 /nfs/dbraw/zinc/09/50/31/586095031.db2.gz BXBGGFGRGZDHSV-NSHDSACASA-N 0 3 238.331 1.669 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000796556271 586106707 /nfs/dbraw/zinc/10/67/07/586106707.db2.gz OKJJPIKSCBMDHN-STQMWFEESA-N 0 3 223.316 1.280 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796611543 586108498 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/nfs/dbraw/zinc/65/36/86/588653686.db2.gz BTNLMJIQXSQUQF-GFCCVEGCSA-N 0 3 211.305 1.137 20 30 BDEDHN C#CCOCCN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000852055182 588657855 /nfs/dbraw/zinc/65/78/55/588657855.db2.gz QVRJIGXIOQPJQQ-CHWSQXEVSA-N 0 3 237.343 1.526 20 30 BDEDHN C#CCOCCN1CCCc2occc2C1 ZINC000852054237 588657891 /nfs/dbraw/zinc/65/78/91/588657891.db2.gz SWKQLVLKRLKWOP-UHFFFAOYSA-N 0 3 219.284 1.678 20 30 BDEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(CC=C)CC=C ZINC000852099852 588662776 /nfs/dbraw/zinc/66/27/76/588662776.db2.gz QOCJSJHZHZUTIT-ZFWWWQNUSA-N 0 3 248.370 1.967 20 30 BDEDHN C#C[C@@](C)(CC)NCCO[C@H]1CCCCO1 ZINC000852100489 588662801 /nfs/dbraw/zinc/66/28/01/588662801.db2.gz HGPUCSPWUKYRID-STQMWFEESA-N 0 3 225.332 1.921 20 30 BDEDHN C#C[C@@](C)(CC)N[C@@H]1CCCN(C(C)C)C1=O ZINC000852101917 588663089 /nfs/dbraw/zinc/66/30/89/588663089.db2.gz IIJBVIUVVRZDRR-OCCSQVGLSA-N 0 3 236.359 1.777 20 30 BDEDHN C#C[C@](C)(CC)NCC#CCN[C@](C)(C#C)CC ZINC000852103229 588663354 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PHYTUXOXHJLKLZ-GFCCVEGCSA-N 0 3 238.331 1.765 20 30 BDEDHN C=CCN(CCO[C@H](C)C#N)[C@H](C)COC ZINC000852357098 588679261 /nfs/dbraw/zinc/67/92/61/588679261.db2.gz WXCBCPGLESJBIO-VXGBXAGGSA-N 0 3 226.320 1.438 20 30 BDEDHN C=CCN(C[C@H]1COC(C)(C)O1)[C@@H](C)COC ZINC000852356347 588679734 /nfs/dbraw/zinc/67/97/34/588679734.db2.gz BSQQXUKMWWAZSR-RYUDHWBXSA-N 0 3 243.347 1.661 20 30 BDEDHN C=CCN(CC[S@](C)=O)C(C)(C)C ZINC000852554092 588689530 /nfs/dbraw/zinc/68/95/30/588689530.db2.gz BXJXLQKBTCCAOQ-ZDUSSCGKSA-N 0 3 203.351 1.651 20 30 BDEDHN C#CCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000852648658 588693961 /nfs/dbraw/zinc/69/39/61/588693961.db2.gz CBWIBERIURCSRR-UHFFFAOYSA-N 0 3 219.328 1.901 20 30 BDEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC[S@@](C)=O ZINC000852688477 588696396 /nfs/dbraw/zinc/69/63/96/588696396.db2.gz UYBPVSAXFBTBIB-UHIISALHSA-N 0 3 213.346 1.548 20 30 BDEDHN C#CCSCCNCc1ccnc(F)c1C ZINC000862280991 589197995 /nfs/dbraw/zinc/19/79/95/589197995.db2.gz SCIRSIJREYRXNW-UHFFFAOYSA-N 0 3 238.331 1.985 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cnc(C)o1 ZINC000862549202 589220524 /nfs/dbraw/zinc/22/05/24/589220524.db2.gz XFRAQQXPZQUKHP-LLVKDONJSA-N 0 3 222.288 1.501 20 30 BDEDHN C#CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000862568917 589223576 /nfs/dbraw/zinc/22/35/76/589223576.db2.gz JNIRQIYZUGHHOR-NWDGAFQWSA-N 0 3 222.332 1.198 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C1CC1)C1CC1 ZINC000862851985 589243814 /nfs/dbraw/zinc/24/38/14/589243814.db2.gz GPSARHWUXXXXHF-UHFFFAOYSA-N 0 3 208.305 1.258 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000863001453 589251280 /nfs/dbraw/zinc/25/12/80/589251280.db2.gz GQCSHCJTWTXHTM-BJDJZHNGSA-N 0 3 240.347 1.032 20 30 BDEDHN CN1CCC(=NN2CCOCC2)CC1(C)C ZINC000863066001 589254051 /nfs/dbraw/zinc/25/40/51/589254051.db2.gz QRPRKDBTVHZRAR-UHFFFAOYSA-N 0 3 225.336 1.179 20 30 BDEDHN CN(C)C(=S)NN=C1CCN(C)C(C)(C)C1 ZINC000863091159 589255325 /nfs/dbraw/zinc/25/53/25/589255325.db2.gz CDALYOKZZJDZDY-UHFFFAOYSA-N 0 3 242.392 1.283 20 30 BDEDHN CC(=NNc1ccnc(C)c1)c1ccn(C)n1 ZINC000863160796 589265208 /nfs/dbraw/zinc/26/52/08/589265208.db2.gz RGYUQGOQLNEKSK-UHFFFAOYSA-N 0 3 229.287 1.382 20 30 BDEDHN CCN(CC)CC#C[C@@H](C)OC(=O)[C@H]1C[C@@H]1C ZINC000119429163 589283440 /nfs/dbraw/zinc/28/34/40/589283440.db2.gz KAZWJVMBJISOEP-XQQFMLRXSA-N 0 3 237.343 1.919 20 30 BDEDHN C[C@H](C#N)Oc1ccc(CNC2(CO)CC2)cc1 ZINC000120363073 589407990 /nfs/dbraw/zinc/40/79/90/589407990.db2.gz FIXRDYQUWLSFTM-LLVKDONJSA-N 0 3 246.310 1.592 20 30 BDEDHN C#CCOc1ccc(CNC2(CO)CC2)cc1 ZINC000120376295 589408488 /nfs/dbraw/zinc/40/84/88/589408488.db2.gz WRRTWIAWZHGUCB-UHFFFAOYSA-N 0 3 231.295 1.313 20 30 BDEDHN C=CCNCc1cnc2c(cnn2C)c1 ZINC000865401137 589432851 /nfs/dbraw/zinc/43/28/51/589432851.db2.gz JMULPUSGEQSVIQ-UHFFFAOYSA-N 0 3 202.261 1.244 20 30 BDEDHN C[C@@H](CO)NCc1cc(C#N)ccc1N(C)C ZINC000865477855 589439668 /nfs/dbraw/zinc/43/96/68/589439668.db2.gz LUZIMORBSCPGHY-JTQLQIEISA-N 0 3 233.315 1.095 20 30 BDEDHN C=C[C@@H](C)NCc1cnc2c(cnn2C)c1 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CC1=CCN(CCNC(=O)CC2(C#N)CC2)CC1 ZINC000590327367 346994244 /nfs/dbraw/zinc/99/42/44/346994244.db2.gz FNBFUTILDZUWMO-UHFFFAOYSA-N 0 3 247.342 1.448 20 30 BDEDHN C[C@@H](Cn1cncn1)NCc1ccc(C#N)cc1 ZINC000067504789 349893948 /nfs/dbraw/zinc/89/39/48/349893948.db2.gz ZDWYEDDOEORJRT-NSHDSACASA-N 0 3 241.298 1.328 20 30 BDEDHN C=CCN(CC=C)C(=O)CSCCN(C)C ZINC000106424718 347015401 /nfs/dbraw/zinc/01/54/01/347015401.db2.gz JHUDCSZTVRLISX-UHFFFAOYSA-N 0 3 242.388 1.482 20 30 BDEDHN Cc1ccc(C#N)c(NCCOCCN(C)C)n1 ZINC000234274541 343934364 /nfs/dbraw/zinc/93/43/64/343934364.db2.gz BKCNSYMRMDIZIX-UHFFFAOYSA-N 0 3 248.330 1.252 20 30 BDEDHN CN(CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000603222563 349897672 /nfs/dbraw/zinc/89/76/72/349897672.db2.gz VQQALNAXMNWNAE-DGCLKSJQSA-N 0 3 249.358 1.621 20 30 BDEDHN C=CC[C@@H]1CCN(CC(=O)NCCCC)C1 ZINC000625701719 344052917 /nfs/dbraw/zinc/05/29/17/344052917.db2.gz RMXCEDVVTLDTAL-GFCCVEGCSA-N 0 3 224.348 1.801 20 30 BDEDHN Cc1noc(C)c1[C@H](C)NC(=O)C(C)C#N ZINC000080695146 344132800 /nfs/dbraw/zinc/13/28/00/344132800.db2.gz YFVQXBDVROJFEH-RQJHMYQMSA-N 0 3 221.260 1.628 20 30 BDEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC000289817510 323068934 /nfs/dbraw/zinc/06/89/34/323068934.db2.gz OTUIGWLRDULXFQ-TVQRCGJNSA-N 0 3 221.275 1.950 20 30 BDEDHN C=CCC[C@@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634753480 344207004 /nfs/dbraw/zinc/20/70/04/344207004.db2.gz HDUAAIDKGYNGGT-MNOVXSKESA-N 0 3 249.301 1.670 20 30 BDEDHN C=CCC[C@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634753482 344207059 /nfs/dbraw/zinc/20/70/59/344207059.db2.gz HDUAAIDKGYNGGT-WDEREUQCSA-N 0 3 249.301 1.670 20 30 BDEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000569376047 344248091 /nfs/dbraw/zinc/24/80/91/344248091.db2.gz LMSYLYIQOGUPEQ-CHWSQXEVSA-N 0 3 231.299 1.610 20 30 BDEDHN N#CC1(C[C@@H](O)CNCc2ccccn2)CC1 ZINC000600715429 344362247 /nfs/dbraw/zinc/36/22/47/344362247.db2.gz YHKCZPLLRYFFKF-GFCCVEGCSA-N 0 3 231.299 1.226 20 30 BDEDHN CC[C@@H](O)CNCC1(C#N)CCCCC1 ZINC000600754925 344368741 /nfs/dbraw/zinc/36/87/41/344368741.db2.gz NHYZTWVQDBRMJA-LLVKDONJSA-N 0 3 210.321 1.821 20 30 BDEDHN CCC(O)(CC)CN(C)C(=O)C(C)C#N ZINC000600766120 344370230 /nfs/dbraw/zinc/37/02/30/344370230.db2.gz GNQCDMZLHUKWIR-SECBINFHSA-N 0 3 212.293 1.156 20 30 BDEDHN CCN(Cc1ccoc1)C(=O)[C@H](N)CCCC#N ZINC000600753268 344370643 /nfs/dbraw/zinc/37/06/43/344370643.db2.gz APAMUDOPOYTVAM-GFCCVEGCSA-N 0 3 249.314 1.649 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2CCOC2)s1 ZINC000135512915 344502596 /nfs/dbraw/zinc/50/25/96/344502596.db2.gz BCRUXHLTXCCKPG-MRVPVSSYSA-N 0 3 208.286 1.498 20 30 BDEDHN CCO[C@H]1C[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000381612054 344524947 /nfs/dbraw/zinc/52/49/47/344524947.db2.gz SRGJHIIHEGWPFD-RYUDHWBXSA-N 0 3 219.288 1.164 20 30 BDEDHN C=CCCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425060177 192072819 /nfs/dbraw/zinc/07/28/19/192072819.db2.gz UUMPTIHCSAQTHJ-QWHCGFSZSA-N 0 3 236.359 1.895 20 30 BDEDHN CCN1CCC(N(C)c2cccc(C#N)n2)CC1 ZINC000081618581 344600779 /nfs/dbraw/zinc/60/07/79/344600779.db2.gz POEAPOBTPWWXCL-UHFFFAOYSA-N 0 3 244.342 1.874 20 30 BDEDHN C=CCN1CC[C@H](N(C)[C@@H](C)CCOC)C1=O ZINC000337238957 537854145 /nfs/dbraw/zinc/85/41/45/537854145.db2.gz ZODIWJZPSNJSSQ-RYUDHWBXSA-N 0 3 240.347 1.130 20 30 BDEDHN CC(C#N)C(=O)N1CC(CC(F)F)C1 ZINC000425075195 192073774 /nfs/dbraw/zinc/07/37/74/192073774.db2.gz HAIMYRXHEVJDKJ-ZCFIWIBFSA-N 0 3 202.204 1.260 20 30 BDEDHN C=CCCC[C@@H](C)N1CCO[C@@H](CC(N)=O)C1 ZINC000626077049 344723647 /nfs/dbraw/zinc/72/36/47/344723647.db2.gz BZBIMRYTLDWPMW-NEPJUHHUSA-N 0 3 240.347 1.307 20 30 BDEDHN C[C@H](C[S@](C)=O)NCc1cc(C#N)cs1 ZINC000135528904 344741611 /nfs/dbraw/zinc/74/16/11/344741611.db2.gz GAQNCZAWRFCJED-ANRSDYALSA-N 0 3 242.369 1.476 20 30 BDEDHN CN(CC#Cc1ccccc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038949 344688981 /nfs/dbraw/zinc/68/89/81/344688981.db2.gz JGUZTRYWQYZTOU-OKILXGFUSA-N 0 3 242.322 1.234 20 30 BDEDHN C=CCOCCN1CCN(CCCF)CC1 ZINC000626069668 344714754 /nfs/dbraw/zinc/71/47/54/344714754.db2.gz GCFPJHQMOIVXNU-UHFFFAOYSA-N 0 3 230.327 1.166 20 30 BDEDHN N#CCCCCN1CCO[C@]2(CCCOC2)C1 ZINC000367542425 344903723 /nfs/dbraw/zinc/90/37/23/344903723.db2.gz ZYFNGOABKAOWFV-CYBMUJFWSA-N 0 3 238.331 1.562 20 30 BDEDHN C=CCN(C)CCNC(=O)OC(C)(C)C ZINC000121312408 344919618 /nfs/dbraw/zinc/91/96/18/344919618.db2.gz NDWRZSBFVYECCI-UHFFFAOYSA-N 0 3 214.309 1.629 20 30 BDEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN1CC ZINC000074495625 344965559 /nfs/dbraw/zinc/96/55/59/344965559.db2.gz YIGCIRNMVBHVNX-RYUDHWBXSA-N 0 3 239.363 1.735 20 30 BDEDHN N#Cc1csc(CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000166741133 344994000 /nfs/dbraw/zinc/99/40/00/344994000.db2.gz ZZQMHEAOTZGPAD-GXSJLCMTSA-N 0 3 234.324 1.646 20 30 BDEDHN CN(C(=O)C1(C#N)CCCC1)C1CCN(C)CC1 ZINC000044300277 345013921 /nfs/dbraw/zinc/01/39/21/345013921.db2.gz RAHQWMSFQZNOJY-UHFFFAOYSA-N 0 3 249.358 1.623 20 30 BDEDHN COC[C@](C)(O)CNCc1ccc(C#N)cc1 ZINC000069911802 345028457 /nfs/dbraw/zinc/02/84/57/345028457.db2.gz YZNYBZOCTRJINJ-CYBMUJFWSA-N 0 3 234.299 1.045 20 30 BDEDHN CCN(C)CCNc1ncc2c(c1C#N)CCC2 ZINC000425216330 192084133 /nfs/dbraw/zinc/08/41/33/192084133.db2.gz QLDNPRRVWDATIM-UHFFFAOYSA-N 0 3 244.342 1.227 20 30 BDEDHN C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)C#N ZINC000044362519 345038229 /nfs/dbraw/zinc/03/82/29/345038229.db2.gz FYIIKPINWIGUKI-NSHDSACASA-N 0 3 237.347 1.527 20 30 BDEDHN C#C[C@@H](C)NCc1cc(OC)ccc1O ZINC000166418501 166211459 /nfs/dbraw/zinc/21/14/59/166211459.db2.gz BVCMGWHYWBKYCQ-SECBINFHSA-N 0 3 205.257 1.512 20 30 BDEDHN C#CCCCN(C)CC(=O)N(CC)CC ZINC000161073219 345250939 /nfs/dbraw/zinc/25/09/39/345250939.db2.gz VJEZASWADIBRJX-UHFFFAOYSA-N 0 3 210.321 1.200 20 30 BDEDHN CN(CCNC(=O)C#Cc1ccccc1)C1CC1 ZINC000080606754 345344503 /nfs/dbraw/zinc/34/45/03/345344503.db2.gz ZDGOYWSUMVAFAH-UHFFFAOYSA-N 0 3 242.322 1.249 20 30 BDEDHN CC#CCN1CCC(c2nc[nH]n2)CC1 ZINC000083445090 345506396 /nfs/dbraw/zinc/50/63/96/345506396.db2.gz DPMQWDHONZHUJR-UHFFFAOYSA-N 0 3 204.277 1.007 20 30 BDEDHN C=CC1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000159737624 345507109 /nfs/dbraw/zinc/50/71/09/345507109.db2.gz BUUILPHFNZKXQA-LLVKDONJSA-N 0 3 242.388 1.491 20 30 BDEDHN C[C@@H](CC(N)=O)N[C@@H](CCC#N)c1ccccc1 ZINC000090665539 345574361 /nfs/dbraw/zinc/57/43/61/345574361.db2.gz PELZVAYYKJBSGK-AAEUAGOBSA-N 0 3 245.326 1.885 20 30 BDEDHN C=CCCC[C@@H](C)N1CCN(CCO)CC1 ZINC000091507622 345595777 /nfs/dbraw/zinc/59/57/77/345595777.db2.gz WRFQQWFSQFHIMD-CYBMUJFWSA-N 0 3 226.364 1.341 20 30 BDEDHN C#C[C@H](C)NCc1cccc(OC)c1O ZINC000166472058 166217149 /nfs/dbraw/zinc/21/71/49/166217149.db2.gz OCWUXUKGIOYVCV-VIFPVBQESA-N 0 3 205.257 1.512 20 30 BDEDHN C[C@@H](O)CNC(=N)Nc1cc(F)ccc1F ZINC000288679913 133567993 /nfs/dbraw/zinc/56/79/93/133567993.db2.gz IPRMQTVSUTVLOW-ZCFIWIBFSA-N 0 3 229.230 1.072 20 30 BDEDHN C=CCCC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000182603362 345934894 /nfs/dbraw/zinc/93/48/94/345934894.db2.gz VNEPPSNSYCETPM-VHSXEESVSA-N 0 3 247.360 1.281 20 30 BDEDHN COC(=O)c1ccc(CNCCCCC#N)o1 ZINC000182195288 347088994 /nfs/dbraw/zinc/08/89/94/347088994.db2.gz IRGWGFAFIVISQF-UHFFFAOYSA-N 0 3 236.271 1.850 20 30 BDEDHN C=CCN(C(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000635763497 346057412 /nfs/dbraw/zinc/05/74/12/346057412.db2.gz BUQJTTQEUJDGPG-LBPRGKRZSA-N 0 3 222.332 1.648 20 30 BDEDHN C[C@@H](CNCCC#N)N1CCC[C@H](C)C1 ZINC000571040156 323104492 /nfs/dbraw/zinc/10/44/92/323104492.db2.gz VCZOKKGBIUVZEO-RYUDHWBXSA-N 0 3 209.337 1.610 20 30 BDEDHN C=C(C)CNC(=O)CN(C)CC(C)(C)C ZINC000635820199 346076098 /nfs/dbraw/zinc/07/60/98/346076098.db2.gz MBNKXUZOXGUHHE-UHFFFAOYSA-N 0 3 212.337 1.657 20 30 BDEDHN CC(C)CN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331796970 535024038 /nfs/dbraw/zinc/02/40/38/535024038.db2.gz RILREBBLBGAALK-CYBMUJFWSA-N 0 3 237.347 1.383 20 30 BDEDHN CC(C)(CC#N)CNCc1ccc(=O)[nH]c1 ZINC000601127403 346152023 /nfs/dbraw/zinc/15/20/23/346152023.db2.gz FNUUNOITUQBWGE-UHFFFAOYSA-N 0 3 219.288 1.817 20 30 BDEDHN C=CCNC(=O)CNC[C@@H](C)c1ccc(C)cc1 ZINC000628232830 346185867 /nfs/dbraw/zinc/18/58/67/346185867.db2.gz PTNTVBABHGXCKE-CYBMUJFWSA-N 0 3 246.354 1.990 20 30 BDEDHN C=CCC[C@H](CO)NCc1c(C)nnn1CC ZINC000641760323 362692460 /nfs/dbraw/zinc/69/24/60/362692460.db2.gz PMCMMKSNNYYHSO-LLVKDONJSA-N 0 3 238.335 1.023 20 30 BDEDHN CC#CC[C@H](CO)NCc1c(C)nn(CC)c1C ZINC000641768839 362709085 /nfs/dbraw/zinc/70/90/85/362709085.db2.gz JNVLFPAEFSZEGZ-CYBMUJFWSA-N 0 3 249.358 1.384 20 30 BDEDHN CC#CC[C@@H](CO)NCc1ccc(C)c(OC)c1 ZINC000641767223 362700862 /nfs/dbraw/zinc/70/08/62/362700862.db2.gz HPTZBXBGHCYSKH-AWEZNQCLSA-N 0 3 247.338 1.868 20 30 BDEDHN C=C[C@H](CO)NCc1c[nH]nc1-c1ccsc1 ZINC000641773499 362712701 /nfs/dbraw/zinc/71/27/01/362712701.db2.gz IWTLBEYUTNDKRB-LLVKDONJSA-N 0 3 249.339 1.775 20 30 BDEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000617929156 346380711 /nfs/dbraw/zinc/38/07/11/346380711.db2.gz CGGWODUFSMTWPW-GFCCVEGCSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC000289444152 346382728 /nfs/dbraw/zinc/38/27/28/346382728.db2.gz AXWNBHKNSNXXHY-ZDUSSCGKSA-N 0 3 205.301 1.940 20 30 BDEDHN C=CCCOCCNC[C@](C)(O)C(F)(F)F ZINC000381585825 346388954 /nfs/dbraw/zinc/38/89/54/346388954.db2.gz BSBOCJWFKZYKQX-VIFPVBQESA-N 0 3 241.253 1.482 20 30 BDEDHN C=C(C)[C@@H](CO)N(C)CCc1ccccn1 ZINC000679218699 488317871 /nfs/dbraw/zinc/31/78/71/488317871.db2.gz MLNNNADUSMUWKM-CYBMUJFWSA-N 0 3 220.316 1.493 20 30 BDEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CCCO1 ZINC000334151932 346428205 /nfs/dbraw/zinc/42/82/05/346428205.db2.gz SYILDHSTAXHCHN-NXEZZACHSA-N 0 3 210.277 1.174 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N[C@H]1C=CCCC1 ZINC000577117199 365822584 /nfs/dbraw/zinc/82/25/84/365822584.db2.gz MXNDWKTUDVAECL-QWRGUYRKSA-N 0 3 221.304 1.232 20 30 BDEDHN C=CCOc1ccccc1CN[C@H](C)CO ZINC000037258245 346679808 /nfs/dbraw/zinc/67/98/08/346679808.db2.gz LDIQKQVYQGUUTC-LLVKDONJSA-N 0 3 221.300 1.722 20 30 BDEDHN CN1C[C@H]2CCN(Cc3ccnc(C#N)c3)[C@H]2C1 ZINC000590010397 346763224 /nfs/dbraw/zinc/76/32/24/346763224.db2.gz FRNXOQSNAJTSTN-OCCSQVGLSA-N 0 3 242.326 1.089 20 30 BDEDHN N#CCCOCCN1CCC(c2c[nH]cn2)CC1 ZINC000590167366 346786449 /nfs/dbraw/zinc/78/64/49/346786449.db2.gz RXNPCMKMVXHQNX-UHFFFAOYSA-N 0 3 248.330 1.519 20 30 BDEDHN CC[C@](C)(C#N)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590446078 347120209 /nfs/dbraw/zinc/12/02/09/347120209.db2.gz RFVCEENUEPCDSD-DMDPSCGWSA-N 0 3 235.331 1.089 20 30 BDEDHN CC[C@](C)(C#N)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590446081 347120356 /nfs/dbraw/zinc/12/03/56/347120356.db2.gz RFVCEENUEPCDSD-GMXVVIOVSA-N 0 3 235.331 1.089 20 30 BDEDHN CC[C@](C)(C#N)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590446084 347120426 /nfs/dbraw/zinc/12/04/26/347120426.db2.gz RFVCEENUEPCDSD-NTZNESFSSA-N 0 3 235.331 1.089 20 30 BDEDHN CN(C)CCN(C)C(=O)c1ccccc1CC#N ZINC000601273459 347135392 /nfs/dbraw/zinc/13/53/92/347135392.db2.gz VEWGIVWGHLMGCV-UHFFFAOYSA-N 0 3 245.326 1.386 20 30 BDEDHN CCOC(=O)C1(C)CC(NCCCC#N)C1 ZINC000601275732 347136175 /nfs/dbraw/zinc/13/61/75/347136175.db2.gz DGOKPRVOCGBILF-UHFFFAOYSA-N 0 3 224.304 1.612 20 30 BDEDHN C=CCOCCCC(=O)N1CCCN(C)CC1 ZINC000363990712 347225377 /nfs/dbraw/zinc/22/53/77/347225377.db2.gz BEWBEYSQHNQORC-UHFFFAOYSA-N 0 3 240.347 1.133 20 30 BDEDHN CC#CCN1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000364039874 347242770 /nfs/dbraw/zinc/24/27/70/347242770.db2.gz YBBKZWKNCNABJD-GFCCVEGCSA-N 0 3 217.316 1.921 20 30 BDEDHN CC#CCN1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000364039874 347242772 /nfs/dbraw/zinc/24/27/72/347242772.db2.gz YBBKZWKNCNABJD-GFCCVEGCSA-N 0 3 217.316 1.921 20 30 BDEDHN C=C(C)CNCc1cnccc1N(C)C ZINC000119640670 347298442 /nfs/dbraw/zinc/29/84/42/347298442.db2.gz FOPUIEZBCSFFKN-UHFFFAOYSA-N 0 3 205.305 1.813 20 30 BDEDHN N#Cc1cccc(NC(=O)[C@H](N)CC(F)F)c1 ZINC000310283611 347255214 /nfs/dbraw/zinc/25/52/14/347255214.db2.gz LNZATMVLYRKTTP-SECBINFHSA-N 0 3 239.225 1.479 20 30 BDEDHN C#CCCCC(=O)NC1CCN(C)CC1 ZINC000191882640 347362547 /nfs/dbraw/zinc/36/25/47/347362547.db2.gz DIUAIDZQIUDNHL-UHFFFAOYSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCN(C)C1CCN(c2cccnn2)CC1 ZINC000364427948 347421839 /nfs/dbraw/zinc/42/18/39/347421839.db2.gz MBUHQPOIXDABIJ-UHFFFAOYSA-N 0 3 230.315 1.010 20 30 BDEDHN C=CCCN(C)[C@@H](C)C(=O)N(CC)CC ZINC000276332623 166259710 /nfs/dbraw/zinc/25/97/10/166259710.db2.gz BJKUNNJPHXYZRK-NSHDSACASA-N 0 3 212.337 1.751 20 30 BDEDHN CC#CCCN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000364660300 347465769 /nfs/dbraw/zinc/46/57/69/347465769.db2.gz XOXCWNZYEJMHCW-AVGNSLFASA-N 0 3 234.343 1.518 20 30 BDEDHN C#CCN(C)C1CCN(c2cnccn2)CC1 ZINC000364823407 347547344 /nfs/dbraw/zinc/54/73/44/347547344.db2.gz OWLLLGMYHBEWBI-UHFFFAOYSA-N 0 3 230.315 1.010 20 30 BDEDHN C=CCCCCN1CCO[C@H](CN(C)C)C1 ZINC000577261318 365905095 /nfs/dbraw/zinc/90/50/95/365905095.db2.gz YSXQCHSWYHDORM-CYBMUJFWSA-N 0 3 226.364 1.605 20 30 BDEDHN C=CCCOCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000591650625 347686136 /nfs/dbraw/zinc/68/61/36/347686136.db2.gz AYTRUGYTDXLDOH-LBPRGKRZSA-N 0 3 240.347 1.132 20 30 BDEDHN N#CCCN[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000591756688 347690630 /nfs/dbraw/zinc/69/06/30/347690630.db2.gz PQYQWMZCFYGHCK-MNOVXSKESA-N 0 3 226.345 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C[C@@H](NC[C@@H](O)C(F)F)c1cccc(C#N)c1 ZINC000224710591 134350384 /nfs/dbraw/zinc/35/03/84/134350384.db2.gz XPHYJVXFGMGQGF-LDYMZIIASA-N 0 3 240.253 1.835 20 30 BDEDHN Cc1cc(C#N)nc(NC[C@H]2CCCN2C)n1 ZINC000226034099 134358696 /nfs/dbraw/zinc/35/86/96/134358696.db2.gz LMNUOQBAXKJAIK-LLVKDONJSA-N 0 3 231.303 1.163 20 30 BDEDHN C=C(C)C[C@@H](C)C(=O)NCCN(C)CCOC ZINC000185423199 134380175 /nfs/dbraw/zinc/38/01/75/134380175.db2.gz CKJVRFSMNHAJOP-GFCCVEGCSA-N 0 3 242.363 1.283 20 30 BDEDHN COC[C@H](CNCc1cc(C#N)cs1)OC ZINC000227708237 134384547 /nfs/dbraw/zinc/38/45/47/134384547.db2.gz JWKNDYNIGCQEGW-JTQLQIEISA-N 0 3 240.328 1.371 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1CCc2ccccc21 ZINC000227770194 134394230 /nfs/dbraw/zinc/39/42/30/134394230.db2.gz RGTYBMONNJBSFC-CABZTGNLSA-N 0 3 214.268 1.950 20 30 BDEDHN C[C@H](NC[C@@H](C#N)CCC#N)C1CCOCC1 ZINC000125434253 134608328 /nfs/dbraw/zinc/60/83/28/134608328.db2.gz DAHMIDLIQUKNQK-NWDGAFQWSA-N 0 3 235.331 1.835 20 30 BDEDHN 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C=CCOCCN1CCOC[C@H](C2CCC2)C1 ZINC000339211756 135067571 /nfs/dbraw/zinc/06/75/71/135067571.db2.gz IBKXVHGZCWDQOW-CQSZACIVSA-N 0 3 239.359 1.938 20 30 BDEDHN CCN(CCNC(=O)CC(C)(C)C#N)C1CC1 ZINC000339271831 135068343 /nfs/dbraw/zinc/06/83/43/135068343.db2.gz LOGBFODGZWZDQY-UHFFFAOYSA-N 0 3 237.347 1.527 20 30 BDEDHN C=CCNC(=O)CN1CCC(C)(C)CC1 ZINC000339255620 135068501 /nfs/dbraw/zinc/06/85/01/135068501.db2.gz LULICTXFXNSMIK-UHFFFAOYSA-N 0 3 210.321 1.411 20 30 BDEDHN C[C@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000339349538 135071586 /nfs/dbraw/zinc/07/15/86/135071586.db2.gz PSYBUBMPWXMWOK-AAEUAGOBSA-N 0 3 246.310 1.256 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](COC)C1 ZINC000112987388 135073028 /nfs/dbraw/zinc/07/30/28/135073028.db2.gz KQPLSTCTXZKZON-RYUDHWBXSA-N 0 3 240.347 1.036 20 30 BDEDHN C=CCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000366376879 135073953 /nfs/dbraw/zinc/07/39/53/135073953.db2.gz KYOMZJTXKNCLEQ-LBPRGKRZSA-N 0 3 245.388 1.852 20 30 BDEDHN CC#CCN(C)CCCO[C@H]1CCCCO1 ZINC000339766036 135081521 /nfs/dbraw/zinc/08/15/21/135081521.db2.gz MTQARKHOXXNRAA-ZDUSSCGKSA-N 0 3 225.332 1.875 20 30 BDEDHN C=CCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000077929785 135084645 /nfs/dbraw/zinc/08/46/45/135084645.db2.gz UAVGGAUURDPXKP-RYUDHWBXSA-N 0 3 239.363 1.592 20 30 BDEDHN C=CCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000252214993 135087561 /nfs/dbraw/zinc/08/75/61/135087561.db2.gz XJVMLLUTMOZSOS-RYUDHWBXSA-N 0 3 239.363 1.592 20 30 BDEDHN CN(C)C(=[NH+]Cc1ccccc1[O-])N(C)C ZINC000264130327 135135191 /nfs/dbraw/zinc/13/51/91/135135191.db2.gz UAQDNLVCGDCPIN-UHFFFAOYSA-N 0 3 221.304 1.371 20 30 BDEDHN N#CCOc1ccc(CN2CC[C@H](CO)C2)cc1 ZINC000265761651 135145792 /nfs/dbraw/zinc/14/57/92/135145792.db2.gz BCIPWBNRJSCMRS-ZDUSSCGKSA-N 0 3 246.310 1.403 20 30 BDEDHN CNC(=O)[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000087608592 135158814 /nfs/dbraw/zinc/15/88/14/135158814.db2.gz WMNJYJNMFZRHCS-NSHDSACASA-N 0 3 237.347 1.527 20 30 BDEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](n3cccn3)C2)C1 ZINC000293544072 135181263 /nfs/dbraw/zinc/18/12/63/135181263.db2.gz KLAYQYIKWYGGQS-UPJWGTAASA-N 0 3 230.315 1.822 20 30 BDEDHN C#CCN(CC#N)CCN(C)Cc1ccccc1 ZINC000295489463 135190265 /nfs/dbraw/zinc/19/02/65/135190265.db2.gz ZFNDIHLXYVJEQU-UHFFFAOYSA-N 0 3 241.338 1.577 20 30 BDEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)C ZINC000297300702 135194833 /nfs/dbraw/zinc/19/48/33/135194833.db2.gz DZRXDRFSGKFRJZ-QMMMGPOBSA-N 0 3 238.253 1.547 20 30 BDEDHN CC[C@@H](C#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000164207650 135216527 /nfs/dbraw/zinc/21/65/27/135216527.db2.gz NNRCLUDFZMWYCB-USZNOCQGSA-N 0 3 237.347 1.666 20 30 BDEDHN CNC(=O)[C@H]1CCCCN1CCCCC#N ZINC000042422165 135220594 /nfs/dbraw/zinc/22/05/94/135220594.db2.gz ZEZRFGDVYMJBPS-LLVKDONJSA-N 0 3 223.320 1.281 20 30 BDEDHN C=CC[C@H](CO)CN[C@H](C)c1cn(C)nc1C ZINC000341883446 135244267 /nfs/dbraw/zinc/24/42/67/135244267.db2.gz IQXBHBTWNGLUEN-PWSUYJOCSA-N 0 3 237.347 1.564 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000342044119 135246771 /nfs/dbraw/zinc/24/67/71/135246771.db2.gz HHYZYQRNIQGRLF-MNOVXSKESA-N 0 3 246.310 1.989 20 30 BDEDHN N#CC1(CN2CCCCC[C@H]2CCO)CC1 ZINC000342044454 135246896 /nfs/dbraw/zinc/24/68/96/135246896.db2.gz IENNXLAXAHESRH-LBPRGKRZSA-N 0 3 222.332 1.917 20 30 BDEDHN CCCCN(CCCO)C(=O)C(C)C#N ZINC000342353264 135261168 /nfs/dbraw/zinc/26/11/68/135261168.db2.gz RGMFXOIFPSTPBH-SNVBAGLBSA-N 0 3 212.293 1.157 20 30 BDEDHN C=CCCN(C)CC(=O)N1CCCC[C@H]1C ZINC000342740290 135310092 /nfs/dbraw/zinc/31/00/92/135310092.db2.gz RXGBFJKUZRLHKD-GFCCVEGCSA-N 0 3 224.348 1.895 20 30 BDEDHN CC(C)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC000268098065 135364175 /nfs/dbraw/zinc/36/41/75/135364175.db2.gz AANFTENIHRVISB-CMPLNLGQSA-N 0 3 245.330 1.489 20 30 BDEDHN CCN1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000334353022 135369725 /nfs/dbraw/zinc/36/97/25/135369725.db2.gz HUHKNBSZDLXQOT-UHFFFAOYSA-N 0 3 223.320 1.137 20 30 BDEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(OC)c1 ZINC000289733594 135373932 /nfs/dbraw/zinc/37/39/32/135373932.db2.gz KFIUXRNZPCRQIS-JQWIXIFHSA-N 0 3 221.300 1.893 20 30 BDEDHN C=C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000291587419 135375202 /nfs/dbraw/zinc/37/52/02/135375202.db2.gz PNCRFVWDYVCRCO-SNVBAGLBSA-N 0 3 211.236 1.168 20 30 BDEDHN C#C[C@H](NCc1[nH]ncc1C)C(C)(C)C ZINC000291685195 135375561 /nfs/dbraw/zinc/37/55/61/135375561.db2.gz XOSZMHCKTSFTSS-NSHDSACASA-N 0 3 205.305 1.856 20 30 BDEDHN C[C@@H](NCCOCCC#N)c1cnn(C)c1 ZINC000294758514 135377953 /nfs/dbraw/zinc/37/79/53/135377953.db2.gz YFAFOJSBSFEAEG-SNVBAGLBSA-N 0 3 222.292 1.001 20 30 BDEDHN C=CCNC(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295813323 135379903 /nfs/dbraw/zinc/37/99/03/135379903.db2.gz ADUATSZXBFSBKD-NSHDSACASA-N 0 3 246.310 1.271 20 30 BDEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1O ZINC000299906443 135382129 /nfs/dbraw/zinc/38/21/29/135382129.db2.gz OZOMFFMAQHTGMC-SMDDNHRTSA-N 0 3 230.311 1.761 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000080694910 135384362 /nfs/dbraw/zinc/38/43/62/135384362.db2.gz UMDKLAQBSSBZHE-JGVFFNPUSA-N 0 3 234.221 1.947 20 30 BDEDHN C[C@@H](O)C[C@@H](C)NCc1cc(C#N)cs1 ZINC000164509563 135385265 /nfs/dbraw/zinc/38/52/65/135385265.db2.gz MITNPORBDVSFKM-RKDXNWHRSA-N 0 3 224.329 1.869 20 30 BDEDHN COC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334415374 135396981 /nfs/dbraw/zinc/39/69/81/135396981.db2.gz WZKQWAJEYIZMHO-ZYHUDNBSSA-N 0 3 236.315 1.564 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000334442704 135408382 /nfs/dbraw/zinc/40/83/82/135408382.db2.gz COTJSIGFLPFODS-IUCAKERBSA-N 0 3 242.282 1.900 20 30 BDEDHN C#CCN(CC)C[C@H](O)Cc1ccc(F)cc1 ZINC000292930756 135660152 /nfs/dbraw/zinc/66/01/52/135660152.db2.gz YWNHXXYCPVZANO-CQSZACIVSA-N 0 3 235.302 1.684 20 30 BDEDHN CC(C)CC[C@](C)(O)CNC(=O)C(C)C#N ZINC000347730957 136004742 /nfs/dbraw/zinc/00/47/42/136004742.db2.gz YOMGJUXNQGYKSV-PWSUYJOCSA-N 0 3 226.320 1.449 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2C=C[C@@H](CO)C2)cc1 ZINC000347781561 136009280 /nfs/dbraw/zinc/00/92/80/136009280.db2.gz UGQTUIFBZDDCRY-ZIAGYGMSSA-N 0 3 228.295 1.585 20 30 BDEDHN CCCN(CCN(C)C)C(=O)CSCC#N ZINC000347937696 136019174 /nfs/dbraw/zinc/01/91/74/136019174.db2.gz ZZKLALKJSNGVAC-UHFFFAOYSA-N 0 3 243.376 1.043 20 30 BDEDHN N#Cc1ccc(CN[C@H]2C=C[C@H](CO)C2)s1 ZINC000348074628 136034159 /nfs/dbraw/zinc/03/41/59/136034159.db2.gz OWMOXWSVBLIHSY-UWVGGRQHSA-N 0 3 234.324 1.646 20 30 BDEDHN C=C(C)CN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000335350715 136068639 /nfs/dbraw/zinc/06/86/39/136068639.db2.gz WOSBJYFSSDRJRB-QWHCGFSZSA-N 0 3 224.348 1.358 20 30 BDEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348535191 136095418 /nfs/dbraw/zinc/09/54/18/136095418.db2.gz QFQBGMPNGHTSLP-RKDXNWHRSA-N 0 3 248.273 1.039 20 30 BDEDHN CC[C@H](CC#N)NC1CCN(C2CC2)CC1 ZINC000309270141 397855555 /nfs/dbraw/zinc/85/55/55/397855555.db2.gz QYXAQYXTEOFAEU-LLVKDONJSA-N 0 3 221.348 1.895 20 30 BDEDHN CC[C@@H](CC#N)NC1CCN(C2CC2)CC1 ZINC000309270144 397855852 /nfs/dbraw/zinc/85/58/52/397855852.db2.gz QYXAQYXTEOFAEU-NSHDSACASA-N 0 3 221.348 1.895 20 30 BDEDHN C=C(C)CN1CCC(Nc2ccc(C)nn2)CC1 ZINC000591914232 397937119 /nfs/dbraw/zinc/93/71/19/397937119.db2.gz XRWNFJARKCIPRO-UHFFFAOYSA-N 0 3 246.358 1.659 20 30 BDEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCCN1CCC(C)CC1 ZINC000448703442 397939749 /nfs/dbraw/zinc/93/97/49/397939749.db2.gz AUVXNLJTZOOVJC-OCCSQVGLSA-N 0 3 249.358 1.384 20 30 BDEDHN C=CC(C)(C)C(=O)NCCN1CCCCC1 ZINC000448704418 397940081 /nfs/dbraw/zinc/94/00/81/397940081.db2.gz LHWKGWFKGMVMRQ-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN CC(C)(C#N)CCN1CC[C@@](O)(CC#N)C1 ZINC000592150185 397943628 /nfs/dbraw/zinc/94/36/28/397943628.db2.gz ALXGHGGOMMGTAD-LBPRGKRZSA-N 0 3 221.304 1.277 20 30 BDEDHN N#CC[C@]1(O)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000592151511 397944655 /nfs/dbraw/zinc/94/46/55/397944655.db2.gz MUCFLYSMGGTKRJ-KFWWJZLASA-N 0 3 242.322 1.893 20 30 BDEDHN N#CCCCCN1CC[C@](O)(CC#N)C1 ZINC000592151411 397944725 /nfs/dbraw/zinc/94/47/25/397944725.db2.gz OPEBJFSBPBBHQU-LLVKDONJSA-N 0 3 207.277 1.031 20 30 BDEDHN CC[C@H](C#N)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000593728779 397961078 /nfs/dbraw/zinc/96/10/78/397961078.db2.gz DWVZYMRBLMPSLW-NWDGAFQWSA-N 0 3 249.358 1.479 20 30 BDEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000597294356 398013862 /nfs/dbraw/zinc/01/38/62/398013862.db2.gz OEDAPRUJRRBEKY-VWYCJHECSA-N 0 3 223.320 1.135 20 30 BDEDHN C#CCN(CCn1cncn1)C1CCCCC1 ZINC000491119266 398032599 /nfs/dbraw/zinc/03/25/99/398032599.db2.gz HWPZFOKIWJHBKJ-UHFFFAOYSA-N 0 3 232.331 1.546 20 30 BDEDHN CC(C)N(C[C@H](O)CC(C)(C)C#N)C1COC1 ZINC000598616749 398032859 /nfs/dbraw/zinc/03/28/59/398032859.db2.gz GRLZHYARDUOPRG-GFCCVEGCSA-N 0 3 240.347 1.396 20 30 BDEDHN C#CCN(CCCCC(=O)OCC)C1CC1 ZINC000491228757 398033737 /nfs/dbraw/zinc/03/37/37/398033737.db2.gz BVUTWZFZGUAEMQ-UHFFFAOYSA-N 0 3 223.316 1.817 20 30 BDEDHN CC(C#N)C(=O)N(C)Cc1ccccc1 ZINC000044810173 397969235 /nfs/dbraw/zinc/96/92/35/397969235.db2.gz GBYLFGGIMAUYJV-SNVBAGLBSA-N 0 3 202.257 1.805 20 30 BDEDHN C#C[C@@H](C)N(C)CCOCC(F)(F)F ZINC000491795217 398071932 /nfs/dbraw/zinc/07/19/32/398071932.db2.gz UTMBDQTVYVFPCT-MRVPVSSYSA-N 0 3 209.211 1.519 20 30 BDEDHN C#CCN(CC)C(=O)[C@@H]1CCCN1C1CC1 ZINC000491671184 398058426 /nfs/dbraw/zinc/05/84/26/398058426.db2.gz FEAXRHWTKBMEBN-LBPRGKRZSA-N 0 3 220.316 1.095 20 30 BDEDHN CC#CCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649829032 398129758 /nfs/dbraw/zinc/12/97/58/398129758.db2.gz ZUCNJVCEXFOQMX-INIZCTEOSA-N 0 3 242.366 1.868 20 30 BDEDHN C#CCCCN(CC(N)=O)[C@H](C)c1ccccc1 ZINC000271044892 166127753 /nfs/dbraw/zinc/12/77/53/166127753.db2.gz NVVXVTGAKASIGE-CYBMUJFWSA-N 0 3 244.338 1.948 20 30 BDEDHN C#CCCCN1CC[C@H](Oc2ccccn2)C1 ZINC000271000470 166131100 /nfs/dbraw/zinc/13/11/00/166131100.db2.gz GBEWBEMYVQJOHO-ZDUSSCGKSA-N 0 3 230.311 1.948 20 30 BDEDHN C=CCC1(NC(=O)[C@H]2NCC2(C)C)CCCC1 ZINC000662888046 409966503 /nfs/dbraw/zinc/96/65/03/409966503.db2.gz CSYCWKBHKDKFJJ-LLVKDONJSA-N 0 3 236.359 1.990 20 30 BDEDHN CCN1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000260987990 487615621 /nfs/dbraw/zinc/61/56/21/487615621.db2.gz SOQQUNMORDGETK-NEPJUHHUSA-N 0 3 207.321 1.316 20 30 BDEDHN C=CCN(CCn1cc(C)cn1)[C@H](C)COC ZINC000661240997 410400834 /nfs/dbraw/zinc/40/08/34/410400834.db2.gz VCDHOJKPSLPRCJ-CYBMUJFWSA-N 0 3 237.347 1.714 20 30 BDEDHN C=CCN(C[C@@H](O)C(C)(C)C)[C@H](C)COC ZINC000661240947 410401546 /nfs/dbraw/zinc/40/15/46/410401546.db2.gz UCDIMUXKZGMERO-VXGBXAGGSA-N 0 3 229.364 1.916 20 30 BDEDHN C=CCN(C[C@@H](C)OC)[C@@H](C)COC ZINC000661241404 410404791 /nfs/dbraw/zinc/40/47/91/410404791.db2.gz XJXNTJKPJQTZJJ-WDEREUQCSA-N 0 3 201.310 1.544 20 30 BDEDHN C=CCCNC(=O)NCC1=CCN(C)CC1 ZINC000665944974 487615785 /nfs/dbraw/zinc/61/57/85/487615785.db2.gz YSCKCRAGPISRPY-UHFFFAOYSA-N 0 3 223.320 1.124 20 30 BDEDHN C#CCOc1ccccc1CNCC[C@@H](C)O ZINC000078780629 166199734 /nfs/dbraw/zinc/19/97/34/166199734.db2.gz SOZSYMDIUHGOSF-GFCCVEGCSA-N 0 3 233.311 1.559 20 30 BDEDHN C#CCSCCNCc1scnc1C ZINC000164639742 166203013 /nfs/dbraw/zinc/20/30/13/166203013.db2.gz WXBVOWJKHAWIEI-UHFFFAOYSA-N 0 3 226.370 1.908 20 30 BDEDHN C#CCn1ccc(CN(CC)CC(C)C)n1 ZINC000279705920 166207737 /nfs/dbraw/zinc/20/77/37/166207737.db2.gz JSCAIOZFXPIRHY-UHFFFAOYSA-N 0 3 219.332 1.994 20 30 BDEDHN C#C[C@H](C)NCc1ccc(O)c(OCC)c1 ZINC000166492074 166217613 /nfs/dbraw/zinc/21/76/13/166217613.db2.gz RBDVYTDQEKDUGU-JTQLQIEISA-N 0 3 219.284 1.902 20 30 BDEDHN C=CCCCN(C)C(=O)[C@H](CC)N(C)C ZINC000154165394 166233178 /nfs/dbraw/zinc/23/31/78/166233178.db2.gz LGBBELVTCMDKKV-NSHDSACASA-N 0 3 212.337 1.751 20 30 BDEDHN C=CCCN(C)[C@H](C)C(=O)N(CC)CC ZINC000276332615 166260674 /nfs/dbraw/zinc/26/06/74/166260674.db2.gz BJKUNNJPHXYZRK-LLVKDONJSA-N 0 3 212.337 1.751 20 30 BDEDHN C=CCCN(CC)C[C@@H](O)C(F)(F)F ZINC000338562500 166262317 /nfs/dbraw/zinc/26/23/17/166262317.db2.gz DIUKFLBVXRJHPP-MRVPVSSYSA-N 0 3 211.227 1.808 20 30 BDEDHN C=CCCN(CCO)Cc1cnn(CC)c1 ZINC000338542863 166262857 /nfs/dbraw/zinc/26/28/57/166262857.db2.gz RUXCVQXYJUZLPU-UHFFFAOYSA-N 0 3 223.320 1.273 20 30 BDEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000273253671 166298327 /nfs/dbraw/zinc/29/83/27/166298327.db2.gz CPVSULAGVNZQPZ-CMPLNLGQSA-N 0 3 223.320 1.398 20 30 BDEDHN C=CCN(C(=O)[C@H]1CCCN1C)C1CC1 ZINC000271514169 166310380 /nfs/dbraw/zinc/31/03/80/166310380.db2.gz MEHBTESHKZFWOQ-LLVKDONJSA-N 0 3 208.305 1.258 20 30 BDEDHN C=CCN(C)Cc1cc2c(cc1O)OCO2 ZINC000154990741 166321803 /nfs/dbraw/zinc/32/18/03/166321803.db2.gz WQBNIAPRSUTMOV-UHFFFAOYSA-N 0 3 221.256 1.739 20 30 BDEDHN C=CCN(CC=C)CCCc1nc(C)no1 ZINC000266897459 166335992 /nfs/dbraw/zinc/33/59/92/166335992.db2.gz VRLMMDJBGWJGSD-UHFFFAOYSA-N 0 3 221.304 1.985 20 30 BDEDHN C=CCN1CCC(NC(=O)N(C)CC)CC1 ZINC000264818440 166352798 /nfs/dbraw/zinc/35/27/98/166352798.db2.gz DYGAQKMCXIAZCJ-UHFFFAOYSA-N 0 3 225.336 1.298 20 30 BDEDHN C=CCN1CCC(NC(=O)C=C(C)C)CC1 ZINC000264451381 166353723 /nfs/dbraw/zinc/35/37/23/166353723.db2.gz CPQGXMQVIZXGKQ-UHFFFAOYSA-N 0 3 222.332 1.719 20 30 BDEDHN C=CC[C@@H]1CCCN(Cc2cn[nH]n2)C1 ZINC000661383461 410598272 /nfs/dbraw/zinc/59/82/72/410598272.db2.gz DBOWIYNNCGZFBX-SNVBAGLBSA-N 0 3 206.293 1.593 20 30 BDEDHN C=CC[C@@H]1CCCN(Cc2c[nH]nn2)C1 ZINC000661383461 410598276 /nfs/dbraw/zinc/59/82/76/410598276.db2.gz DBOWIYNNCGZFBX-SNVBAGLBSA-N 0 3 206.293 1.593 20 30 BDEDHN C=CCOCCN[C@@](C)(CO)c1ccccc1 ZINC000395246088 410845479 /nfs/dbraw/zinc/84/54/79/410845479.db2.gz SBHTYYCQEGIHEY-AWEZNQCLSA-N 0 3 235.327 1.686 20 30 BDEDHN CC(C)OC[C@@H](O)CNCc1cccc(C#N)c1 ZINC000037749281 167262096 /nfs/dbraw/zinc/26/20/96/167262096.db2.gz CMKYQJXJAXBNKK-AWEZNQCLSA-N 0 3 248.326 1.434 20 30 BDEDHN C=CCC[C@@H](CO)N[C@H](C)c1c[nH]nc1C ZINC000651470329 411051201 /nfs/dbraw/zinc/05/12/01/411051201.db2.gz SCEYVUQCZFYFDB-KOLCDFICSA-N 0 3 223.320 1.696 20 30 BDEDHN C=CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000665946073 487620079 /nfs/dbraw/zinc/62/00/79/487620079.db2.gz MJSPETOIGVKYSI-NEPJUHHUSA-N 0 3 237.347 1.441 20 30 BDEDHN CN(CCN1CCCCC1)C[C@H](C#N)CCC#N ZINC000593112790 411138090 /nfs/dbraw/zinc/13/80/90/411138090.db2.gz KDNVYDXUGGTJBE-AWEZNQCLSA-N 0 3 248.374 1.848 20 30 BDEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CO)c2cnn(C)c2)C1 ZINC000651745409 411140782 /nfs/dbraw/zinc/14/07/82/411140782.db2.gz KBJAFLVCIMEQCJ-XBFCOCLRSA-N 0 3 249.358 1.788 20 30 BDEDHN C=CC[C@H]1CC[C@@H](NC2(C(N)=O)CC2)C1 ZINC000651760478 411142025 /nfs/dbraw/zinc/14/20/25/411142025.db2.gz CQEWIRMFKBUBEA-VHSXEESVSA-N 0 3 208.305 1.339 20 30 BDEDHN C=CC[C@H]1CCCN([C@H]2CC(=O)N(C)C2=O)C1 ZINC000656478090 411284122 /nfs/dbraw/zinc/28/41/22/411284122.db2.gz NEGCYWLQEWPYKE-QWRGUYRKSA-N 0 3 236.315 1.032 20 30 BDEDHN C=CCOCCCN[C@H](C)c1nccn1C ZINC000658210901 411294971 /nfs/dbraw/zinc/29/49/71/411294971.db2.gz YIOXYIKMFZWVRE-LLVKDONJSA-N 0 3 223.320 1.663 20 30 BDEDHN Cc1nc(N(C)CCN(C)C2CC2)ccc1C#N ZINC000291779336 411314578 /nfs/dbraw/zinc/31/45/78/411314578.db2.gz CLKRKTWHYVEBTR-UHFFFAOYSA-N 0 3 244.342 1.792 20 30 BDEDHN C=CCCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000656681046 411320102 /nfs/dbraw/zinc/32/01/02/411320102.db2.gz ZQZZUVTZIRAOIT-GFCCVEGCSA-N 0 3 236.290 1.388 20 30 BDEDHN C=CCN1CC[C@H](NC2(CC(C)C)CC2)C1=O ZINC000662066379 411355657 /nfs/dbraw/zinc/35/56/57/411355657.db2.gz KJOZFZVSDFYTJQ-LBPRGKRZSA-N 0 3 236.359 1.942 20 30 BDEDHN C=CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000659339134 411366732 /nfs/dbraw/zinc/36/67/32/411366732.db2.gz ZQBDSFRXFCWHTD-LBPRGKRZSA-N 0 3 236.290 1.560 20 30 BDEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC ZINC000659327823 411395622 /nfs/dbraw/zinc/39/56/22/411395622.db2.gz AOTBXAUSDIDCIY-MNOVXSKESA-N 0 3 210.321 1.457 20 30 BDEDHN C=CC[C@H](CO)CNCc1c(C2CC2)cnn1C ZINC000657426806 411503612 /nfs/dbraw/zinc/50/36/12/411503612.db2.gz LGSLKAFCLRWXPP-NSHDSACASA-N 0 3 249.358 1.572 20 30 BDEDHN C=CCOCCCNCc1cncnc1OC ZINC000657658962 411572400 /nfs/dbraw/zinc/57/24/00/411572400.db2.gz LPEBYLZVJQJVMQ-UHFFFAOYSA-N 0 3 237.303 1.168 20 30 BDEDHN C=CCOCCCNCc1ccnn1CCC ZINC000657658902 411572499 /nfs/dbraw/zinc/57/24/99/411572499.db2.gz JOPVYHMFQOYUSB-UHFFFAOYSA-N 0 3 237.347 1.975 20 30 BDEDHN CCOCCN(C)CCOc1ccc(C#N)cc1 ZINC000126652604 170388239 /nfs/dbraw/zinc/38/82/39/170388239.db2.gz FDYPPAJSQULYMI-UHFFFAOYSA-N 0 3 248.326 1.905 20 30 BDEDHN C=CCCN(C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000660402329 411579858 /nfs/dbraw/zinc/57/98/58/411579858.db2.gz SPJDXURJRZIANR-YNEHKIRRSA-N 0 3 236.359 1.942 20 30 BDEDHN C=CCCC(C)(C)NCc1cn(C)nn1 ZINC000657805162 411600006 /nfs/dbraw/zinc/60/00/06/411600006.db2.gz MDRMMBMSDKHUJX-UHFFFAOYSA-N 0 3 208.309 1.650 20 30 BDEDHN C=C(CC)CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568337 411601660 /nfs/dbraw/zinc/60/16/60/411601660.db2.gz XNEISSXVDVZJJD-UHFFFAOYSA-N 0 3 235.335 1.533 20 30 BDEDHN C=CCN(C[C@@H](OC)C1CC1)[C@@H](C)COC ZINC000661239324 411739648 /nfs/dbraw/zinc/73/96/48/411739648.db2.gz FOOUXWYWFUOWQN-WCQYABFASA-N 0 3 227.348 1.934 20 30 BDEDHN C=CCN(CCCNC(C)=O)[C@@H](C)COC ZINC000661241591 411741829 /nfs/dbraw/zinc/74/18/29/411741829.db2.gz BYUFWZLVQQSUDM-NSHDSACASA-N 0 3 228.336 1.036 20 30 BDEDHN C=CCN(C[C@@H]1CCCO1)[C@@H](C)COC ZINC000661248536 411743079 /nfs/dbraw/zinc/74/30/79/411743079.db2.gz UUDHYFVRQMVZTK-RYUDHWBXSA-N 0 3 213.321 1.688 20 30 BDEDHN Cc1nc(NC[C@H]2CSCCN2)ccc1C#N ZINC000603417828 411749222 /nfs/dbraw/zinc/74/92/22/411749222.db2.gz BYYCAVBSRDJRIX-NSHDSACASA-N 0 3 248.355 1.379 20 30 BDEDHN C=CC[C@H]1CCCN(CCCS(C)(=O)=O)C1 ZINC000661380920 411762783 /nfs/dbraw/zinc/76/27/83/411762783.db2.gz RDCBCNACQUSXLJ-LBPRGKRZSA-N 0 3 245.388 1.709 20 30 BDEDHN C=CC[C@@H]1CCCN(Cc2n[nH]c(C)n2)C1 ZINC000661385820 411765600 /nfs/dbraw/zinc/76/56/00/411765600.db2.gz QEAOETGWCLZCCG-LLVKDONJSA-N 0 3 220.320 1.901 20 30 BDEDHN C=CCC[C@H](O)CN1CC2(CCC2)OC[C@@H]1C ZINC000661467221 411783683 /nfs/dbraw/zinc/78/36/83/411783683.db2.gz UQILQPDFWRJVQD-STQMWFEESA-N 0 3 239.359 1.957 20 30 BDEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@@H](C)C1O ZINC000661626646 411822309 /nfs/dbraw/zinc/82/23/09/411822309.db2.gz OFMQLOIKZYKCKS-ZIAGYGMSSA-N 0 3 243.350 1.987 20 30 BDEDHN C=CCCNC(=O)NC[C@H]1CCCN1CC ZINC000664212809 411887637 /nfs/dbraw/zinc/88/76/37/411887637.db2.gz KKSYPRSJSKOWLG-LLVKDONJSA-N 0 3 225.336 1.346 20 30 BDEDHN CCC#C[C@H](C)N[C@@H]1C[C@H](O)C12CCC2 ZINC000661832061 411894971 /nfs/dbraw/zinc/89/49/71/411894971.db2.gz WDJZZBXAQGEZGS-TUAOUCFPSA-N 0 3 207.317 1.681 20 30 BDEDHN C=CCN1CC[C@H](CN2CCCC2=O)C1 ZINC000662059275 411968419 /nfs/dbraw/zinc/96/84/19/411968419.db2.gz QQMGZQJHICKPLJ-NSHDSACASA-N 0 3 208.305 1.117 20 30 BDEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)S(C)(=O)=O ZINC000662089426 411983539 /nfs/dbraw/zinc/98/35/39/411983539.db2.gz YJHAIIOOMHGXLU-UTUOFQBUSA-N 0 3 243.372 1.603 20 30 BDEDHN C=C[C@H](CO)NCCCc1cc(CC)no1 ZINC000662168346 412016788 /nfs/dbraw/zinc/01/67/88/412016788.db2.gz CAWVGXXIHKAYKU-LLVKDONJSA-N 0 3 224.304 1.306 20 30 BDEDHN CCC#C[C@H](C)N[C@H](CO)[C@@H]1CCCOC1 ZINC000665195354 412128316 /nfs/dbraw/zinc/12/83/16/412128316.db2.gz LDAORPUFDJFMNN-YNEHKIRRSA-N 0 3 225.332 1.165 20 30 BDEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)nn1 ZINC000611241992 412133656 /nfs/dbraw/zinc/13/36/56/412133656.db2.gz XZKVJCMPZXMNLU-BXKDBHETSA-N 0 3 243.314 1.243 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000665235595 412174181 /nfs/dbraw/zinc/17/41/81/412174181.db2.gz XVIMKKYNTRDBEO-PWSUYJOCSA-N 0 3 232.331 1.704 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000665235595 412174183 /nfs/dbraw/zinc/17/41/83/412174183.db2.gz XVIMKKYNTRDBEO-PWSUYJOCSA-N 0 3 232.331 1.704 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000665235595 412174188 /nfs/dbraw/zinc/17/41/88/412174188.db2.gz XVIMKKYNTRDBEO-PWSUYJOCSA-N 0 3 232.331 1.704 20 30 BDEDHN N#Cc1ccc(NC[C@@H]2CSCCN2)nc1 ZINC000603419338 412272581 /nfs/dbraw/zinc/27/25/81/412272581.db2.gz MEPSLPHGDDZMFR-SNVBAGLBSA-N 0 3 234.328 1.070 20 30 BDEDHN C=CCOCCNC(=O)c1cccc2c1CNC2 ZINC000662713559 412279764 /nfs/dbraw/zinc/27/97/64/412279764.db2.gz XOJUMZFABHUOAV-UHFFFAOYSA-N 0 3 246.310 1.222 20 30 BDEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CC)C1 ZINC000662631293 412250294 /nfs/dbraw/zinc/25/02/94/412250294.db2.gz QMPCOVDMYPTKGJ-MNOVXSKESA-N 0 3 210.321 1.538 20 30 BDEDHN CN1CCC[C@@H]1CNc1ncccc1C#N ZINC000221255969 173033046 /nfs/dbraw/zinc/03/30/46/173033046.db2.gz ACGVUNDPALSUCI-LLVKDONJSA-N 0 3 216.288 1.459 20 30 BDEDHN CN(c1ncccc1C#N)[C@H]1CCCN(C)C1 ZINC000053246330 173044719 /nfs/dbraw/zinc/04/47/19/173044719.db2.gz NJIRCNZETKXVHZ-LBPRGKRZSA-N 0 3 230.315 1.484 20 30 BDEDHN Cn1cc(CN2CCN(C)CC2(C)C)cc1C#N ZINC000276770457 173087286 /nfs/dbraw/zinc/08/72/86/173087286.db2.gz OJPQIRSUBCZBFF-UHFFFAOYSA-N 0 3 246.358 1.423 20 30 BDEDHN CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000048909383 173122336 /nfs/dbraw/zinc/12/23/36/173122336.db2.gz TVWQBUZACNVCGC-GFCCVEGCSA-N 0 3 244.298 1.384 20 30 BDEDHN CN1C[C@@H](NCc2ccc(C#N)cc2)CCC1=O ZINC000077900273 173185997 /nfs/dbraw/zinc/18/59/97/173185997.db2.gz SXJKSQVOUIGLKE-ZDUSSCGKSA-N 0 3 243.310 1.269 20 30 BDEDHN CO[C@@H](CNCc1cc(C#N)n(C)c1)C(C)C 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583772324 /nfs/dbraw/zinc/77/23/24/583772324.db2.gz WPAMPFCLEPABOI-GFCCVEGCSA-N 0 3 248.330 1.332 20 30 BDEDHN COC(C)(C)[C@@H](C)NCc1cccc(C#N)n1 ZINC000896607870 583817132 /nfs/dbraw/zinc/81/71/32/583817132.db2.gz ILBUWQUZBJZQFG-SNVBAGLBSA-N 0 3 233.315 1.856 20 30 BDEDHN CN1CCC2(CCN2c2ncncc2C#N)CC1 ZINC000897133548 583883092 /nfs/dbraw/zinc/88/30/92/583883092.db2.gz LDTWRRKQUQXHTN-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN CC1(C)CCN(CCNc2cnc(C#N)cn2)C1 ZINC000897248806 583902213 /nfs/dbraw/zinc/90/22/13/583902213.db2.gz CGLLSTYKTAMKRM-UHFFFAOYSA-N 0 3 245.330 1.492 20 30 BDEDHN N#CC1CCC([NH2+]Cc2cncc([O-])c2)CC1 ZINC000897316339 583919012 /nfs/dbraw/zinc/91/90/12/583919012.db2.gz YTFKCOFXYJXOGS-UHFFFAOYSA-N 0 3 231.299 1.959 20 30 BDEDHN C#CCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840725408 583933799 /nfs/dbraw/zinc/93/37/99/583933799.db2.gz AHMFHVRISIYEAQ-NSHDSACASA-N 0 3 217.316 1.893 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cccc(O)c1 ZINC000858331815 588946157 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/nfs/dbraw/zinc/33/45/71/584334571.db2.gz YGEZFMPUZWAIFN-AVGNSLFASA-N 0 3 247.342 1.422 20 30 BDEDHN C#CC[C@H](CCOC)Nc1cc(C)nc(N)n1 ZINC000858855057 588978901 /nfs/dbraw/zinc/97/89/01/588978901.db2.gz HCZSXCXUTRULFA-SNVBAGLBSA-N 0 3 234.303 1.208 20 30 BDEDHN C=C(CC[NH+](C)C)C(=O)[N-]OCC(F)(F)F ZINC000901110295 584385743 /nfs/dbraw/zinc/38/57/43/584385743.db2.gz KLZBRRMGKUBYSW-UHFFFAOYSA-N 0 3 240.225 1.104 20 30 BDEDHN CC(=NN[C@H](C)C(C)(C)C)c1c[nH]c(N)n1 ZINC000901245536 584407783 /nfs/dbraw/zinc/40/77/83/584407783.db2.gz FBUMKRFOSDRDNS-MRVPVSSYSA-N 0 3 223.324 1.740 20 30 BDEDHN CC(=NNC1CCCCC1)c1c[nH]c(N)n1 ZINC000901228359 584413034 /nfs/dbraw/zinc/41/30/34/584413034.db2.gz WSEOTJHOYURTJE-UHFFFAOYSA-N 0 3 221.308 1.638 20 30 BDEDHN Cc1cc(/C=C2\C(=O)c3nccn3C2C)nn1C ZINC000901564165 584463381 /nfs/dbraw/zinc/46/33/81/584463381.db2.gz FQULVQNXRYUGDQ-MKVDPYIPSA-N 0 3 242.282 1.766 20 30 BDEDHN C#CCCOC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000859015769 588991171 /nfs/dbraw/zinc/99/11/71/588991171.db2.gz MXVAHKDGOSWLEV-NEPJUHHUSA-N 0 3 238.331 1.418 20 30 BDEDHN C#C[C@H](C)N(C)Cn1cc(OC)c(=O)cc1C ZINC000902243136 584545556 /nfs/dbraw/zinc/54/55/56/584545556.db2.gz IKXNQVKVPWBWMC-JTQLQIEISA-N 0 3 234.299 1.076 20 30 BDEDHN C#CC[C@H](CO)NCc1cc(C)ccc1NC ZINC000902571555 584636156 /nfs/dbraw/zinc/63/61/56/584636156.db2.gz LAOWJLBKBDQSQR-CYBMUJFWSA-N 0 3 232.327 1.511 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(CC)cn1 ZINC000902602906 584641407 /nfs/dbraw/zinc/64/14/07/584641407.db2.gz CXJGUIMFAAJJNG-AAEUAGOBSA-N 0 3 235.331 1.584 20 30 BDEDHN C#CC[C@@H](COC)NCc1ccccc1NC ZINC000902626640 584646538 /nfs/dbraw/zinc/64/65/38/584646538.db2.gz JHAKKIALJUHDGO-ZDUSSCGKSA-N 0 3 232.327 1.856 20 30 BDEDHN C[C@@H](NC[C@H]1CCCO1)c1cc(C#N)ccn1 ZINC000902722561 584660542 /nfs/dbraw/zinc/66/05/42/584660542.db2.gz GBISKDDHNWMCEM-ZYHUDNBSSA-N 0 3 231.299 1.783 20 30 BDEDHN CC[C@H](N[C@H](C)CO)c1cccc(C#N)c1 ZINC000902762327 584663163 /nfs/dbraw/zinc/66/31/63/584663163.db2.gz LHICZDVKFQPOHX-MFKMUULPSA-N 0 3 218.300 1.980 20 30 BDEDHN CC[C@@](C)(O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902796720 584674421 /nfs/dbraw/zinc/67/44/21/584674421.db2.gz UHLXMBNRLLHVLV-GXFFZTMASA-N 0 3 233.315 1.765 20 30 BDEDHN CC[C@H](CCO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902816332 584678130 /nfs/dbraw/zinc/67/81/30/584678130.db2.gz OISAFLOBVOYAMH-ZYHUDNBSSA-N 0 3 233.315 1.765 20 30 BDEDHN COCC[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902979215 584707999 /nfs/dbraw/zinc/70/79/99/584707999.db2.gz PTIYCOJAOJUCNQ-PWSUYJOCSA-N 0 3 249.314 1.001 20 30 BDEDHN C[C@@H](NCC1=CCOCC1)c1cc(C#N)ccn1 ZINC000903005263 584716807 /nfs/dbraw/zinc/71/68/07/584716807.db2.gz QCMSIVJKXLDPPC-LLVKDONJSA-N 0 3 243.310 1.951 20 30 BDEDHN CCC(=O)N1CCC(NCC2(C#N)CCC2)CC1 ZINC000903031685 584718453 /nfs/dbraw/zinc/71/84/53/584718453.db2.gz NGPWLDOCTFAYQD-UHFFFAOYSA-N 0 3 249.358 1.671 20 30 BDEDHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000903072526 584726017 /nfs/dbraw/zinc/72/60/17/584726017.db2.gz NUZPWRPVPKOYLZ-JLLWLGSASA-N 0 3 231.299 1.375 20 30 BDEDHN C[C@H](N[C@H]1CCN(C)[C@H]1C)c1cc(C#N)ccn1 ZINC000903297599 584743230 /nfs/dbraw/zinc/74/32/30/584743230.db2.gz HPBJGHJNTDRGEQ-GVXVVHGQSA-N 0 3 244.342 1.696 20 30 BDEDHN C[C@@H](NC1CC(CCO)C1)c1cc(C#N)ccn1 ZINC000903330826 584754525 /nfs/dbraw/zinc/75/45/25/584754525.db2.gz BGBUTHOTQGIGQP-XSRFYTQQSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@H](N[C@@H]1COC[C@H]1C)c1cc(C#N)ccn1 ZINC000903393620 584756435 /nfs/dbraw/zinc/75/64/35/584756435.db2.gz QLQHXHXTKZCFRJ-GBIKHYSHSA-N 0 3 231.299 1.639 20 30 BDEDHN CC(C)c1noc(C2CC3(C2)CNC[C@H]3C#N)n1 ZINC000904080008 584840027 /nfs/dbraw/zinc/84/00/27/584840027.db2.gz TWRIBNHAWMSGJP-RUETXSTFSA-N 0 3 246.314 1.800 20 30 BDEDHN C#CCCOC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000859168446 589013132 /nfs/dbraw/zinc/01/31/32/589013132.db2.gz PJHJCFMTIOMRPO-ZDUSSCGKSA-N 0 3 236.315 1.174 20 30 BDEDHN C#CC(=O)NCCCN1CCc2ccccc2C1 ZINC000753933501 584911106 /nfs/dbraw/zinc/91/11/06/584911106.db2.gz CIGIUJBJNXQBNW-UHFFFAOYSA-N 0 3 242.322 1.184 20 30 BDEDHN C(ON=C1CCN2CCC[C@H]12)[C@@H]1CCOC1 ZINC000788034114 584924695 /nfs/dbraw/zinc/92/46/95/584924695.db2.gz NVZAKRQHPLZTKR-ZYHUDNBSSA-N 0 3 224.304 1.264 20 30 BDEDHN CCC(Cc1ccc(C)cc1)N=NC(=N)N ZINC000731922574 584931397 /nfs/dbraw/zinc/93/13/97/584931397.db2.gz IXJPOTNDDQSCJT-UHFFFAOYSA-N 0 3 218.304 1.787 20 30 BDEDHN CN(C)c1ccncc1C=NOC[C@H]1CCOC1 ZINC000788038275 584932866 /nfs/dbraw/zinc/93/28/66/584932866.db2.gz FFBAINBYUSYZRR-NSHDSACASA-N 0 3 249.314 1.535 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000733892839 584954470 /nfs/dbraw/zinc/95/44/70/584954470.db2.gz LIQMHYYXQFFUHK-SECBINFHSA-N 0 3 249.289 1.668 20 30 BDEDHN COCCC(=NNC(=N)N)c1ccc(F)cc1 ZINC000734744261 584967523 /nfs/dbraw/zinc/96/75/23/584967523.db2.gz IXQQBWXQTQYZGW-UHFFFAOYSA-N 0 3 238.266 1.049 20 30 BDEDHN CC(C)[C@@H]1CCCCN1CC(=O)NCCC#N ZINC000735311816 584975384 /nfs/dbraw/zinc/97/53/84/584975384.db2.gz UCXSJQMJFNAXQY-LBPRGKRZSA-N 0 3 237.347 1.527 20 30 BDEDHN CCCCCCN(C)CC(=O)NC[C@@H](C)C#N ZINC000735657693 584980359 /nfs/dbraw/zinc/98/03/59/584980359.db2.gz UVGSDCWKNIDYGI-LBPRGKRZSA-N 0 3 239.363 1.774 20 30 BDEDHN COC(=O)CCCCCCNC(=O)C(C)C#N ZINC000736666366 585009122 /nfs/dbraw/zinc/00/91/22/585009122.db2.gz FDTAXSWRVSANAH-SNVBAGLBSA-N 0 3 240.303 1.386 20 30 BDEDHN C[C@@H](C#N)OC(=O)C1CN(C2CCCCC2)C1 ZINC000838464964 585058937 /nfs/dbraw/zinc/05/89/37/585058937.db2.gz VRCWNXJYFHXMEM-JTQLQIEISA-N 0 3 236.315 1.706 20 30 BDEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000838622201 585064015 /nfs/dbraw/zinc/06/40/15/585064015.db2.gz PTWDNXHVISXOLH-OLZOCXBDSA-N 0 3 249.358 1.135 20 30 BDEDHN C=CCONC(=O)NC[C@H]1CCCCN1CC ZINC000838707521 585065936 /nfs/dbraw/zinc/06/59/36/585065936.db2.gz GUPIYBHREJTDSQ-LLVKDONJSA-N 0 3 241.335 1.278 20 30 BDEDHN C=CCCCCCN(C)CC(=O)NCCC#N ZINC000739930372 585086671 /nfs/dbraw/zinc/08/66/71/585086671.db2.gz LCESRCYUVQIUTO-UHFFFAOYSA-N 0 3 237.347 1.694 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1ccsc1 ZINC000740125082 585094662 /nfs/dbraw/zinc/09/46/62/585094662.db2.gz BVOHMPWLGNNSBS-CBAPKCEASA-N 0 3 224.285 1.057 20 30 BDEDHN C[C@@H](C#N)OCCN1C[C@@H]2C[C@H]1CS2 ZINC000839201246 585099572 /nfs/dbraw/zinc/09/95/72/585099572.db2.gz HTPVPBPNVBNLGG-GUBZILKMSA-N 0 3 212.318 1.105 20 30 BDEDHN C=CCNC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741455547 585114047 /nfs/dbraw/zinc/11/40/47/585114047.db2.gz BPGWLGZCAWNDEG-VIFPVBQESA-N 0 3 240.376 1.107 20 30 BDEDHN C=C(C)CNC(=S)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000741501616 585115037 /nfs/dbraw/zinc/11/50/37/585115037.db2.gz DKWBEKFEXHFFIR-QWRGUYRKSA-N 0 3 241.404 1.509 20 30 BDEDHN C=CCNC(=S)N[C@H]1CCN(C)[C@H](C)C1 ZINC000741507998 585115161 /nfs/dbraw/zinc/11/51/61/585115161.db2.gz MWXCHDNFRWGBMS-ZJUUUORDSA-N 0 3 227.377 1.119 20 30 BDEDHN C[C@@H]1CCCN(CC(=O)NCCC#N)[C@H]1C ZINC000741791417 585118851 /nfs/dbraw/zinc/11/88/51/585118851.db2.gz USOAXIDUCRPDLH-MNOVXSKESA-N 0 3 223.320 1.137 20 30 BDEDHN N=C(N)NN=Cc1ccc(OCC(F)F)cc1 ZINC000741811334 585119905 /nfs/dbraw/zinc/11/99/05/585119905.db2.gz SCHOKRSKHPWASP-UHFFFAOYSA-N 0 3 242.229 1.147 20 30 BDEDHN C=CCCC(=O)NCCN1CCC[C@H]1C ZINC000742241750 585124173 /nfs/dbraw/zinc/12/41/73/585124173.db2.gz RKIOSPMZNZYURL-LLVKDONJSA-N 0 3 210.321 1.553 20 30 BDEDHN N#Cc1ccc2c(c1)CCCC2=NNC(=N)N ZINC000743417557 585136316 /nfs/dbraw/zinc/13/63/16/585136316.db2.gz KYQBKWUNLWZIJW-UHFFFAOYSA-N 0 3 227.271 1.082 20 30 BDEDHN CCO[C@H]1CC(=Nn2cnnc2)C12CCCC2 ZINC000743419276 585136803 /nfs/dbraw/zinc/13/68/03/585136803.db2.gz RVOPASRAZMUYOI-NSHDSACASA-N 0 3 234.303 1.851 20 30 BDEDHN CC(=O)OC1CCN([C@H](C)CCC#N)CC1 ZINC000839527845 585142007 /nfs/dbraw/zinc/14/20/07/585142007.db2.gz MRDWFAZBOPKVQL-SNVBAGLBSA-N 0 3 224.304 1.706 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744030249 585142271 /nfs/dbraw/zinc/14/22/71/585142271.db2.gz BQIUAJLCJYDNIR-NXEZZACHSA-N 0 3 246.266 1.394 20 30 BDEDHN C#CCCCNC(=O)[C@@H](CC)N(CC)CC ZINC000744370121 585149528 /nfs/dbraw/zinc/14/95/28/585149528.db2.gz CEWRJWUKLPUFBL-GFCCVEGCSA-N 0 3 224.348 1.636 20 30 BDEDHN C#CCCCNC(=O)NCCN(C)CCCC ZINC000745817286 585160893 /nfs/dbraw/zinc/16/08/93/585160893.db2.gz WYECXKMQIWYPFZ-UHFFFAOYSA-N 0 3 239.363 1.431 20 30 BDEDHN COc1ccc(CNC(=O)C(C)C#N)cc1C#N ZINC000747445794 585179278 /nfs/dbraw/zinc/17/92/78/585179278.db2.gz YBTZGDFWQIBKJS-SECBINFHSA-N 0 3 243.266 1.343 20 30 BDEDHN C[C@@H]1CCc2c(F)cccc2C1=NNC(=N)N ZINC000748246131 585189763 /nfs/dbraw/zinc/18/97/63/585189763.db2.gz JQFBUPXNXJNTLP-SSDOTTSWSA-N 0 3 234.278 1.595 20 30 BDEDHN CC(C#N)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000748553552 585194060 /nfs/dbraw/zinc/19/40/60/585194060.db2.gz ZNTURZJIFVKZNY-ZYHUDNBSSA-N 0 3 232.283 1.386 20 30 BDEDHN CC[C@H](C)CN(CC)CC(=O)NCCC#N ZINC000748828565 585197013 /nfs/dbraw/zinc/19/70/13/585197013.db2.gz NIPJYQJBSKHWQA-NSHDSACASA-N 0 3 225.336 1.384 20 30 BDEDHN C#CCN(CC)Cc1ccc(OCC(N)=O)cc1 ZINC000749159580 585200328 /nfs/dbraw/zinc/20/03/28/585200328.db2.gz GSJCZJWEEJHFBM-UHFFFAOYSA-N 0 3 246.310 1.006 20 30 BDEDHN CC(=NN[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000749816879 585206702 /nfs/dbraw/zinc/20/67/02/585206702.db2.gz UWFCCMDFARTWCV-SNVBAGLBSA-N 0 3 235.331 1.447 20 30 BDEDHN C#CCCN1CCC(NC(=O)C(C)=C(C)C)CC1 ZINC000751391819 585229220 /nfs/dbraw/zinc/22/92/20/585229220.db2.gz SREWZKXZMWHTQU-UHFFFAOYSA-N 0 3 248.370 1.947 20 30 BDEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000751993541 585240376 /nfs/dbraw/zinc/24/03/76/585240376.db2.gz UBVRTISJJDABTF-ZDUSSCGKSA-N 0 3 248.370 1.636 20 30 BDEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc[nH]1 ZINC000753934790 585272368 /nfs/dbraw/zinc/27/23/68/585272368.db2.gz KNCPFUMHMWPXHR-VXGBXAGGSA-N 0 3 245.330 1.599 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccs1 ZINC000753935282 585272472 /nfs/dbraw/zinc/27/24/72/585272472.db2.gz MXKIMSGQOAOJOR-QWRGUYRKSA-N 0 3 248.355 1.942 20 30 BDEDHN CC(C)N1CC(N=Nc2cnccn2)[C@@H](C)C1 ZINC000754256705 585281175 /nfs/dbraw/zinc/28/11/75/585281175.db2.gz FBQOAQXQHGTIOZ-JTQLQIEISA-N 0 3 233.319 1.605 20 30 BDEDHN CCC[C@@H]1CCCCN1CC(=O)NCCC#N ZINC000755249877 585296975 /nfs/dbraw/zinc/29/69/75/585296975.db2.gz VNXQOAQHHLTCCY-GFCCVEGCSA-N 0 3 237.347 1.671 20 30 BDEDHN C(=Nn1cnnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000755462722 585299928 /nfs/dbraw/zinc/29/99/28/585299928.db2.gz CEDFPSWCPHBCLP-NWDGAFQWSA-N 0 3 212.256 1.916 20 30 BDEDHN C=C(Cl)CN[C@H]1CCC[C@@H]1CCO ZINC000839581310 585330986 /nfs/dbraw/zinc/33/09/86/585330986.db2.gz MSYXUKLGMBGDHJ-ZJUUUORDSA-N 0 3 203.713 1.880 20 30 BDEDHN C=CCNC(=S)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757539732 585340894 /nfs/dbraw/zinc/34/08/94/585340894.db2.gz BLOZTWMKEQBJKV-GXSJLCMTSA-N 0 3 239.388 1.119 20 30 BDEDHN CN(C)c1ccc(C=NNC2CCOCC2)cc1 ZINC000757594141 585342674 /nfs/dbraw/zinc/34/26/74/585342674.db2.gz VTSWIXHAFKEDAN-UHFFFAOYSA-N 0 3 247.342 1.855 20 30 BDEDHN C[C@@H]1CC(=NNC2CCOCC2)CCN1C ZINC000757591272 585342780 /nfs/dbraw/zinc/34/27/80/585342780.db2.gz DURHAHPKLABROD-SNVBAGLBSA-N 0 3 225.336 1.225 20 30 BDEDHN C#CCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757711371 585344538 /nfs/dbraw/zinc/34/45/38/585344538.db2.gz HMDRJCKCMMISLX-WCQYABFASA-N 0 3 249.358 1.182 20 30 BDEDHN C=CCNC(=S)NN=C1CCCN(C)CC1 ZINC000758092609 585348976 /nfs/dbraw/zinc/34/89/76/585348976.db2.gz UEGVNJZTEVAWGB-UHFFFAOYSA-N 0 3 240.376 1.108 20 30 BDEDHN N=C(N)NN=Cc1cc2ccccc2s1 ZINC000758354599 585354078 /nfs/dbraw/zinc/35/40/78/585354078.db2.gz KQIZCGFZERONEY-UHFFFAOYSA-N 0 3 218.285 1.718 20 30 BDEDHN C#CCCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000760282202 585388840 /nfs/dbraw/zinc/38/88/40/585388840.db2.gz PQCIFUBEPWZIPP-LLVKDONJSA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000760829961 585398534 /nfs/dbraw/zinc/39/85/34/585398534.db2.gz HBISMPQFEWADNW-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000760834082 585398678 /nfs/dbraw/zinc/39/86/78/585398678.db2.gz KTDIKRNCQSUBIB-RKDXNWHRSA-N 0 3 221.222 1.397 20 30 BDEDHN C#CCCN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000760842592 585399492 /nfs/dbraw/zinc/39/94/92/585399492.db2.gz AWNJACCBDDVGEL-NSHDSACASA-N 0 3 223.316 1.673 20 30 BDEDHN C#CCCN(CC)CCc1ccccn1 ZINC000760851088 585399969 /nfs/dbraw/zinc/39/99/69/585399969.db2.gz MIVCQUWCUABWNS-UHFFFAOYSA-N 0 3 202.301 1.969 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2C[C@H]21 ZINC000761091200 585408198 /nfs/dbraw/zinc/40/81/98/585408198.db2.gz UZOKNIMZZGPZIL-RWMBFGLXSA-N 0 3 234.343 1.670 20 30 BDEDHN N=C(N)NN=C1CCc2ccc(Cl)cc21 ZINC000762448240 585432662 /nfs/dbraw/zinc/43/26/62/585432662.db2.gz VPCYREQMVSIRBG-UHFFFAOYSA-N 0 3 222.679 1.473 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000762689008 585435217 /nfs/dbraw/zinc/43/52/17/585435217.db2.gz HTKJCPSAJABLAN-LOWVWBTDSA-N 0 3 246.310 1.774 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(F)cc1 ZINC000763895425 585456669 /nfs/dbraw/zinc/45/66/69/585456669.db2.gz LZIJIKBCLUQNDC-UHFFFAOYSA-N 0 3 222.263 1.882 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000763903841 585456750 /nfs/dbraw/zinc/45/67/50/585456750.db2.gz UAJOHPQIHVDXMD-QWRGUYRKSA-N 0 3 224.348 1.609 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1CCCC1 ZINC000764215624 585461467 /nfs/dbraw/zinc/46/14/67/585461467.db2.gz FZDGZJXMRLHNCR-UHFFFAOYSA-N 0 3 210.321 1.411 20 30 BDEDHN C=C(C)CN(CC)C(=O)C(=C)CN(C)C ZINC000764229174 585462045 /nfs/dbraw/zinc/46/20/45/585462045.db2.gz UGCFCTRGMORGJN-UHFFFAOYSA-N 0 3 210.321 1.529 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)CC1CCCC1 ZINC000764466946 585465982 /nfs/dbraw/zinc/46/59/82/585465982.db2.gz XYCSFHJMPPQQKM-UHFFFAOYSA-N 0 3 224.348 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)CCc1ccccn1 ZINC000764492251 585466726 /nfs/dbraw/zinc/46/67/26/585466726.db2.gz AXZMZKJQEFBTIY-UHFFFAOYSA-N 0 3 247.342 1.200 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ncc(CC)s1 ZINC000764576912 585468053 /nfs/dbraw/zinc/46/80/53/585468053.db2.gz UOQMKNJLMOJARC-UHFFFAOYSA-N 0 3 239.344 1.762 20 30 BDEDHN CC#CCCN1CCCC[C@@H]1CN1CCCC1=O ZINC000764960157 585478113 /nfs/dbraw/zinc/47/81/13/585478113.db2.gz KBAZFZVPALNODA-CQSZACIVSA-N 0 3 248.370 1.877 20 30 BDEDHN C#CCCCNCc1c(C)nc2sc(C)nn12 ZINC000766473506 585502964 /nfs/dbraw/zinc/50/29/64/585502964.db2.gz JWOFIEWQFFXASS-UHFFFAOYSA-N 0 3 248.355 1.911 20 30 BDEDHN C#CCCCN1CCC[C@H]1C(=O)N(CC)CC ZINC000766894232 585509496 /nfs/dbraw/zinc/50/94/96/585509496.db2.gz ANMAJHSWZNQXGO-ZDUSSCGKSA-N 0 3 236.359 1.733 20 30 BDEDHN C=CCN(CC=C)C1CCN(C(C)=O)CC1 ZINC000768137124 585532621 /nfs/dbraw/zinc/53/26/21/585532621.db2.gz KREUZWZNAIVYAP-UHFFFAOYSA-N 0 3 222.332 1.671 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769290395 585552587 /nfs/dbraw/zinc/55/25/87/585552587.db2.gz CNSQWSKXJHMIAU-NXEZZACHSA-N 0 3 234.230 1.152 20 30 BDEDHN N=C(N)N=NC(Cc1ccccc1)C(F)F ZINC000769569114 585559319 /nfs/dbraw/zinc/55/93/19/585559319.db2.gz DMNRQZDNYZNJOH-UHFFFAOYSA-N 0 3 226.230 1.333 20 30 BDEDHN C#CCOCCN(C)Cc1ccc(OC)cc1 ZINC000769772156 585563257 /nfs/dbraw/zinc/56/32/57/585563257.db2.gz 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JQNOGQSRQLFAJO-RYUDHWBXSA-N 0 3 237.347 1.527 20 30 BDEDHN CCOCCON=C1CCN(CC)C[C@H]1C ZINC000774432635 585658359 /nfs/dbraw/zinc/65/83/59/585658359.db2.gz JXRMKWHTBUPTAJ-LLVKDONJSA-N 0 3 228.336 1.757 20 30 BDEDHN Cc1cc(Cl)cc(C=NNC(=N)N)c1O ZINC000774588409 585661352 /nfs/dbraw/zinc/66/13/52/585661352.db2.gz BBTJSMJWWAVKAZ-UHFFFAOYSA-N 0 3 226.667 1.171 20 30 BDEDHN C#CCNC(=O)CN[C@H](CC)c1ccccc1 ZINC000774847870 585667438 /nfs/dbraw/zinc/66/74/38/585667438.db2.gz OQTQDGZDKVYYBT-CYBMUJFWSA-N 0 3 230.311 1.477 20 30 BDEDHN C#CCCN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000775217206 585673605 /nfs/dbraw/zinc/67/36/05/585673605.db2.gz LODUJEYYXCJECQ-AWEZNQCLSA-N 0 3 244.338 1.819 20 30 BDEDHN C[C@@H]1CCCN1CCNc1ccncc1C#N ZINC000775493211 585678426 /nfs/dbraw/zinc/67/84/26/585678426.db2.gz VLMHCRHAPIKCBC-LLVKDONJSA-N 0 3 230.315 1.271 20 30 BDEDHN C#C[C@@H](NCCC(=O)OC(C)C)[C@H]1CCCO1 ZINC000775792208 585685094 /nfs/dbraw/zinc/68/50/94/585685094.db2.gz YRHUXOUASWUFEE-VXGBXAGGSA-N 0 3 239.315 1.099 20 30 BDEDHN C#C[C@H](N[C@@H](C)Cn1cccn1)[C@H]1CCCO1 ZINC000775999754 585688959 /nfs/dbraw/zinc/68/89/59/585688959.db2.gz IBXWRWCHLSYDGO-RWMBFGLXSA-N 0 3 233.315 1.042 20 30 BDEDHN CN(C)c1ccncc1C=NN1CCCC1=O ZINC000776187539 585692252 /nfs/dbraw/zinc/69/22/52/585692252.db2.gz SRLUQZKJIUGPNK-UHFFFAOYSA-N 0 3 232.287 1.104 20 30 BDEDHN C=CC[C@H](CO)C[NH2+]Cc1cccc(C)c1[O-] ZINC000776256224 585693850 /nfs/dbraw/zinc/69/38/50/585693850.db2.gz NMVOZILZZNMNJL-LBPRGKRZSA-N 0 3 235.327 1.975 20 30 BDEDHN CCCN1CCC[C@@H]1C(=O)NC1=NO[C@H](C)C1 ZINC000777435798 585712123 /nfs/dbraw/zinc/71/21/23/585712123.db2.gz LKKDEMRIVUTHMA-NXEZZACHSA-N 0 3 239.319 1.099 20 30 BDEDHN COC[C@H](C)NN=Cc1ccc2c(c1)CCN2C ZINC000777891731 585722305 /nfs/dbraw/zinc/72/23/05/585722305.db2.gz SBSSKBZMGQGYDM-NSHDSACASA-N 0 3 247.342 1.637 20 30 BDEDHN COC[C@H](C)N=NC1CN(C(C)C)C[C@H]1C ZINC000777903583 585723388 /nfs/dbraw/zinc/72/33/88/585723388.db2.gz UUONVDQNZVJJJU-MNOVXSKESA-N 0 3 227.352 1.327 20 30 BDEDHN CC[C@H]1C[C@@H](C=Nn2c(C)nnc2C)CCO1 ZINC000779760824 585761503 /nfs/dbraw/zinc/76/15/03/585761503.db2.gz COFQJYBNAKDXCR-RYUDHWBXSA-N 0 3 236.319 1.934 20 30 BDEDHN CC1(C#N)CCN(CCC2OCCCO2)CC1 ZINC000780333767 585778032 /nfs/dbraw/zinc/77/80/32/585778032.db2.gz RYSRQHUUGYLSMV-UHFFFAOYSA-N 0 3 238.331 1.765 20 30 BDEDHN C#CCCCCCC(=O)NC[C@@H](C)N(C)C ZINC000780361173 585778172 /nfs/dbraw/zinc/77/81/72/585778172.db2.gz ATSHATBCWIPWRJ-GFCCVEGCSA-N 0 3 224.348 1.636 20 30 BDEDHN C#CCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781377346 585795395 /nfs/dbraw/zinc/79/53/95/585795395.db2.gz FHDHTOIJLNAGBW-LBPRGKRZSA-N 0 3 249.358 1.349 20 30 BDEDHN N=C(N)NN=Cc1ccc(SC(F)F)cc1 ZINC000781589342 585799826 /nfs/dbraw/zinc/79/98/26/585799826.db2.gz HVSYTJDCAOVCMP-UHFFFAOYSA-N 0 3 244.270 1.818 20 30 BDEDHN C#CCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000781932572 585805513 /nfs/dbraw/zinc/80/55/13/585805513.db2.gz OTGDXZDIDSTREE-UHFFFAOYSA-N 0 3 234.343 1.344 20 30 BDEDHN COCCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000783300207 585833236 /nfs/dbraw/zinc/83/32/36/585833236.db2.gz KJJLCBSSQYSMTB-NSHDSACASA-N 0 3 233.315 1.858 20 30 BDEDHN C[C@@H]1CNC(NN=C[C@H]2CCCC[C@@H]2C)=N1 ZINC000783861971 585845066 /nfs/dbraw/zinc/84/50/66/585845066.db2.gz KCFNXXNEQRMPJH-HBNTYKKESA-N 0 3 222.336 1.736 20 30 BDEDHN C#CCOCCNc1ccnc2ccccc21 ZINC000784240454 585853399 /nfs/dbraw/zinc/85/33/99/585853399.db2.gz WEXZDBQYHDMNEU-UHFFFAOYSA-N 0 3 226.279 1.718 20 30 BDEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000785489086 585874384 /nfs/dbraw/zinc/87/43/84/585874384.db2.gz XIOIXLSOVINMFX-DFBGVHRSSA-N 0 3 242.322 1.933 20 30 BDEDHN CC#CC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000788291350 585921168 /nfs/dbraw/zinc/92/11/68/585921168.db2.gz SDOLPTGPOLILMW-NEPJUHHUSA-N 0 3 222.332 1.246 20 30 BDEDHN CSC1(C(=O)C(C#N)c2ccncn2)CC1 ZINC000789425083 585942630 /nfs/dbraw/zinc/94/26/30/585942630.db2.gz FJLTVEQJPKDKQN-QMMMGPOBSA-N 0 3 233.296 1.548 20 30 BDEDHN C#CCCN1CCC(NC(=O)/C(=C/C)CC)CC1 ZINC000789781242 585949944 /nfs/dbraw/zinc/94/99/44/585949944.db2.gz PTGJRBYAXDCZMK-WLRTZDKTSA-N 0 3 248.370 1.947 20 30 BDEDHN C#C[C@@H](CC)OC(=O)C1CCN(C2CC2)CC1 ZINC000805918179 585961434 /nfs/dbraw/zinc/96/14/34/585961434.db2.gz KYNWGSYAVCCXDF-ZDUSSCGKSA-N 0 3 235.327 1.816 20 30 BDEDHN Cn1ccnc1N=NCc1cccc(O)c1 ZINC000790300276 585962626 /nfs/dbraw/zinc/96/26/26/585962626.db2.gz QKOAPQHNLXWPJO-UHFFFAOYSA-N 0 3 216.244 1.572 20 30 BDEDHN COc1ccccc1CN=Nc1nccn1C ZINC000790301672 585962934 /nfs/dbraw/zinc/96/29/34/585962934.db2.gz HPXPBORFBNNOIP-UHFFFAOYSA-N 0 3 230.271 1.875 20 30 BDEDHN C=C(CO)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000791362617 585978787 /nfs/dbraw/zinc/97/87/87/585978787.db2.gz AUFIDPPGPCQWEJ-UHFFFAOYSA-N 0 3 248.326 1.544 20 30 BDEDHN OCC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC000792286374 585998930 /nfs/dbraw/zinc/99/89/30/585998930.db2.gz AODUZSMCKUXARP-OAHLLOKOSA-N 0 3 229.323 1.789 20 30 BDEDHN N#Cc1ccc(CN[C@@H](CO)C2CC2)cc1F ZINC000792287102 585999022 /nfs/dbraw/zinc/99/90/22/585999022.db2.gz IGOIKQATTIBANA-ZDUSSCGKSA-N 0 3 234.274 1.558 20 30 BDEDHN N=C(N)NN=Cc1ccc2c(c1)CCCC2 ZINC000792961855 586007716 /nfs/dbraw/zinc/00/77/16/586007716.db2.gz GEKMGYSJCRDKKZ-UHFFFAOYSA-N 0 3 216.288 1.382 20 30 BDEDHN C#C[C@H](NCCc1cnn(CC)c1)[C@H]1CCCO1 ZINC000794564050 586043870 /nfs/dbraw/zinc/04/38/70/586043870.db2.gz CSXJGLICNSKVQU-UONOGXRCSA-N 0 3 247.342 1.216 20 30 BDEDHN CSCCON=C1CCN2CCC[C@@H]12 ZINC000794574056 586044431 /nfs/dbraw/zinc/04/44/31/586044431.db2.gz SAQKOPCFMQJDGJ-JTQLQIEISA-N 0 3 214.334 1.590 20 30 BDEDHN C#C[C@H](C)N(C)CCOC1CCOCC1 ZINC000859281949 589027928 /nfs/dbraw/zinc/02/79/28/589027928.db2.gz ZCVDQHNBLKTMJR-NSHDSACASA-N 0 3 211.305 1.136 20 30 BDEDHN C#C[C@H](NC[C@@H](O)CCC(C)C)[C@H]1CCCO1 ZINC000796455446 586103674 /nfs/dbraw/zinc/10/36/74/586103674.db2.gz HXPOQQRQFAQOGK-MELADBBJSA-N 0 3 239.359 1.554 20 30 BDEDHN N#CC(C(=O)CCC(F)F)C(=O)N1CCCC1 ZINC000796633739 586109072 /nfs/dbraw/zinc/10/90/72/586109072.db2.gz XBVMFFWUURQZAT-QMMMGPOBSA-N 0 3 244.241 1.363 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@@H](C)CC ZINC000796797028 586112588 /nfs/dbraw/zinc/11/25/88/586112588.db2.gz GNKGXYCZTIUNCL-QWRGUYRKSA-N 0 3 236.315 1.824 20 30 BDEDHN C=CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000797284481 586125083 /nfs/dbraw/zinc/12/50/83/586125083.db2.gz YTMLNWILTQJFHZ-MRVPVSSYSA-N 0 3 215.249 1.797 20 30 BDEDHN C=CC[C@H](CC)NC(=O)C1(N(C)C)CCC1 ZINC000799035409 586154832 /nfs/dbraw/zinc/15/48/32/586154832.db2.gz XYDISBOWWZBBQQ-NSHDSACASA-N 0 3 224.348 1.942 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000799067205 586154965 /nfs/dbraw/zinc/15/49/65/586154965.db2.gz UHRADCZPNORNJF-WDEREUQCSA-N 0 3 229.283 1.557 20 30 BDEDHN CN(C)c1ccc(C=NNCC(C)(C)CO)cc1 ZINC000799117472 586158381 /nfs/dbraw/zinc/15/83/81/586158381.db2.gz UBEGPUDUZULLRS-UHFFFAOYSA-N 0 3 249.358 1.695 20 30 BDEDHN C#C[C@@](C)(CC)NC[C@@H](O)CC1(O)CCC1 ZINC000859318466 589031418 /nfs/dbraw/zinc/03/14/18/589031418.db2.gz BREVGAFCBWSDEJ-RYUDHWBXSA-N 0 3 225.332 1.044 20 30 BDEDHN C[C@](O)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000799719271 586193802 /nfs/dbraw/zinc/19/38/02/586193802.db2.gz XTBFSVZWSYVXJD-WZRBSPASSA-N 0 3 234.299 1.769 20 30 BDEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCCO)cc1 ZINC000799739842 586195424 /nfs/dbraw/zinc/19/54/24/586195424.db2.gz QXWOOWWGKRXBDR-LBPRGKRZSA-N 0 3 248.326 1.792 20 30 BDEDHN C#CC[C@H](CO)NC[C@H](O)[C@H](C)c1ccccc1 ZINC000843078760 586197153 /nfs/dbraw/zinc/19/71/53/586197153.db2.gz WONYCQPORVZCJC-YUELXQCFSA-N 0 3 247.338 1.125 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC12CCOCC2)[C@H]1CCCO1 ZINC000800489866 586222994 /nfs/dbraw/zinc/22/29/94/586222994.db2.gz DUYBDFVSLXNGBT-BFHYXJOUSA-N 0 3 249.354 1.716 20 30 BDEDHN C[C@H](C#N)OCCN1[C@H](C)CC(O)C[C@H]1C ZINC000801946020 586282010 /nfs/dbraw/zinc/28/20/10/586282010.db2.gz GAVJVZAVUOVCKS-GMTAPVOTSA-N 0 3 226.320 1.149 20 30 BDEDHN C[C@H](C#N)OCCN1CCc2cc[nH]c(=O)c2C1 ZINC000801950230 586282133 /nfs/dbraw/zinc/28/21/33/586282133.db2.gz LAUVUIBGRPRVJW-SNVBAGLBSA-N 0 3 247.298 1.074 20 30 BDEDHN C=C[C@H]1CCCCN1CCO[C@@H](C)C#N ZINC000801951911 586283044 /nfs/dbraw/zinc/28/30/44/586283044.db2.gz LURXYVGRLUIAGA-RYUDHWBXSA-N 0 3 208.305 1.956 20 30 BDEDHN C=CCN1CCN(CN(C)[C@@H](C)C(C)C)C1=O ZINC000839961561 586302318 /nfs/dbraw/zinc/30/23/18/586302318.db2.gz PGFJVDIHIVLLMH-LBPRGKRZSA-N 0 3 239.363 1.844 20 30 BDEDHN C#CCCOC(=O)CC[C@H]1CCCCN1C ZINC000803857626 586377673 /nfs/dbraw/zinc/37/76/73/586377673.db2.gz HOMVOZHIHCSJPT-GFCCVEGCSA-N 0 3 223.316 1.817 20 30 BDEDHN C=CCN1CCN(CN2CC[C@@H](CC)C2)C1=O ZINC000840026263 586384169 /nfs/dbraw/zinc/38/41/69/586384169.db2.gz VRRHFLJAQOCGFO-GFCCVEGCSA-N 0 3 237.347 1.599 20 30 BDEDHN C[C@@H]1CN=C(NN=C2C[C@@H](C)c3ccccc32)N1 ZINC000807981350 586454817 /nfs/dbraw/zinc/45/48/17/586454817.db2.gz LXNSVUVWJWCMHY-NXEZZACHSA-N 0 3 242.326 1.835 20 30 BDEDHN Nc1ccc(C=[NH+][N-]c2ncncc2Cl)cn1 ZINC000807983708 586454975 /nfs/dbraw/zinc/45/49/75/586454975.db2.gz VQWAGUZVHHBUGO-UHFFFAOYSA-N 0 3 248.677 1.553 20 30 BDEDHN C#Cc1ccc(CN2CC[C@@H](OC)C2)cc1 ZINC000809578586 586507991 /nfs/dbraw/zinc/50/79/91/586507991.db2.gz NRLABTCKPCRSJS-CQSZACIVSA-N 0 3 215.296 1.889 20 30 BDEDHN C=C(C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810689821 586544474 /nfs/dbraw/zinc/54/44/74/586544474.db2.gz KAFURSWYJMVKAN-CYBMUJFWSA-N 0 3 242.338 1.891 20 30 BDEDHN C[NH+](C)CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183895 586556816 /nfs/dbraw/zinc/55/68/16/586556816.db2.gz ALDGQSYMNBCDEU-UHFFFAOYSA-N 0 3 248.282 1.372 20 30 BDEDHN CC[C@@H](O)CNN=C1CCCNc2ccccc21 ZINC000811655429 586563882 /nfs/dbraw/zinc/56/38/82/586563882.db2.gz NUQIYGKVLPEEJF-LLVKDONJSA-N 0 3 247.342 1.957 20 30 BDEDHN C#C[C@H](NCC1(COC)CCC1)[C@H]1CCCO1 ZINC000812834621 586587836 /nfs/dbraw/zinc/58/78/36/586587836.db2.gz BWUMLJAZBSDKHO-QWHCGFSZSA-N 0 3 237.343 1.574 20 30 BDEDHN N#CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000813059363 586590121 /nfs/dbraw/zinc/59/01/21/586590121.db2.gz ZRTHQHMSKQWHOL-SNVBAGLBSA-N 0 3 233.271 1.012 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCO)CCCCC ZINC000813498860 586602532 /nfs/dbraw/zinc/60/25/32/586602532.db2.gz HUMDQGBDMBJOOA-UHFFFAOYSA-N 0 3 242.363 1.115 20 30 BDEDHN CC[C@H](C(=O)N(CCC#N)CC(C)C)N(C)C ZINC000840292259 586604943 /nfs/dbraw/zinc/60/49/43/586604943.db2.gz PCRALPJEBJIDCG-GFCCVEGCSA-N 0 3 239.363 1.725 20 30 BDEDHN C=C(CN(C)C)C(=O)NC[C@H]1CCCSC1 ZINC000813714495 586605800 /nfs/dbraw/zinc/60/58/00/586605800.db2.gz INFMGIILXPUVSD-LLVKDONJSA-N 0 3 242.388 1.364 20 30 BDEDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(C#N)o1 ZINC000814116767 586614175 /nfs/dbraw/zinc/61/41/75/586614175.db2.gz IYDJEBBWZICUKI-SNVBAGLBSA-N 0 3 247.298 1.365 20 30 BDEDHN CCN(C)c1ccc(C(C)=NNC[C@H](C)O)cc1 ZINC000814961944 586659838 /nfs/dbraw/zinc/65/98/38/586659838.db2.gz WQXKAXMPHDIZRZ-NSHDSACASA-N 0 3 249.358 1.837 20 30 BDEDHN C[C@@H](O)CNN=C1CCCc2ccc(N)cc21 ZINC000814963148 586660899 /nfs/dbraw/zinc/66/08/99/586660899.db2.gz DNZODBICSLCXOZ-SECBINFHSA-N 0 3 233.315 1.280 20 30 BDEDHN C=CCOCCN1CCC2(CC1)OCCCO2 ZINC000815156259 586670878 /nfs/dbraw/zinc/67/08/78/586670878.db2.gz YQMDUKQDSBZUQN-UHFFFAOYSA-N 0 3 241.331 1.418 20 30 BDEDHN C=CCC(F)(F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000815691806 586691656 /nfs/dbraw/zinc/69/16/56/586691656.db2.gz BQPRGDVBTCZDCF-NXEZZACHSA-N 0 3 246.301 1.797 20 30 BDEDHN C=CCN(C)C[C@@H](O)c1ccc(F)cc1 ZINC000116993777 589064269 /nfs/dbraw/zinc/06/42/69/589064269.db2.gz VTHKIZQRCUNEEH-GFCCVEGCSA-N 0 3 209.264 1.977 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCCSC1 ZINC000816820457 586766518 /nfs/dbraw/zinc/76/65/18/586766518.db2.gz NGIVOVMXCQZMIO-JTQLQIEISA-N 0 3 228.361 1.116 20 30 BDEDHN C#CCC(C)(C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816954489 586774477 /nfs/dbraw/zinc/77/44/77/586774477.db2.gz CEVDHQFYWQYWRE-NEPJUHHUSA-N 0 3 234.343 1.198 20 30 BDEDHN Cc1cc(NCC(C)(C)CC#N)nc(N)n1 ZINC000840335132 586782155 /nfs/dbraw/zinc/78/21/55/586782155.db2.gz SYGGFDDPKWVDNX-UHFFFAOYSA-N 0 3 219.292 1.719 20 30 BDEDHN C#CCC(CC#C)C(=O)N(C)C[C@H]1CCCN1C ZINC000817770264 586827150 /nfs/dbraw/zinc/82/71/50/586827150.db2.gz MJWKRPFPBVJIEV-CQSZACIVSA-N 0 3 246.354 1.202 20 30 BDEDHN C#CCC(CC#C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817770263 586827315 /nfs/dbraw/zinc/82/73/15/586827315.db2.gz MJWKRPFPBVJIEV-AWEZNQCLSA-N 0 3 246.354 1.202 20 30 BDEDHN C=C(CN(C)C)C(=O)NC(C)(C)COCC ZINC000818024027 586865254 /nfs/dbraw/zinc/86/52/54/586865254.db2.gz NBDZPIXHBXXSQR-UHFFFAOYSA-N 0 3 228.336 1.036 20 30 BDEDHN N#Cc1ccc2ncc(CN[C@@H]3CC34CC4)n2c1 ZINC000818229840 586880629 /nfs/dbraw/zinc/88/06/29/586880629.db2.gz FCOYUSSDCNNTEP-GFCCVEGCSA-N 0 3 238.294 1.848 20 30 BDEDHN C#CCN(C)CCCNC(=O)C(C)(CC)CC ZINC000818606195 586905453 /nfs/dbraw/zinc/90/54/53/586905453.db2.gz GIJNAXWVCWRXMZ-UHFFFAOYSA-N 0 3 238.375 1.884 20 30 BDEDHN CON(C)C(=O)CCNCC#Cc1ccccc1 ZINC000818945349 586916933 /nfs/dbraw/zinc/91/69/33/586916933.db2.gz CRCKONFQXLQWBH-UHFFFAOYSA-N 0 3 246.310 1.038 20 30 BDEDHN C[C@@H](CNCCC#N)CC1(C)OCCO1 ZINC000819095309 586930883 /nfs/dbraw/zinc/93/08/83/586930883.db2.gz DNXAWUHWDFKYQA-SNVBAGLBSA-N 0 3 212.293 1.279 20 30 BDEDHN C#CCOCCNC[C@H](O)c1cc(C)cc(C)c1 ZINC000819230687 586941345 /nfs/dbraw/zinc/94/13/45/586941345.db2.gz LGEFVHBQINTJIX-HNNXBMFYSA-N 0 3 247.338 1.576 20 30 BDEDHN C#Cc1ccc(CNC[C@@H](O)COC(C)C)cc1 ZINC000819340331 586954789 /nfs/dbraw/zinc/95/47/89/586954789.db2.gz WJEVSCSLORSTEB-OAHLLOKOSA-N 0 3 247.338 1.543 20 30 BDEDHN C#CCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819693304 586986873 /nfs/dbraw/zinc/98/68/73/586986873.db2.gz PPOQAPFMCHUVBE-UHFFFAOYSA-N 0 3 241.298 1.370 20 30 BDEDHN C#CCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819693304 586986875 /nfs/dbraw/zinc/98/68/75/586986875.db2.gz PPOQAPFMCHUVBE-UHFFFAOYSA-N 0 3 241.298 1.370 20 30 BDEDHN OCCN1CCC(=NOC2CCCCC2)CC1 ZINC000819809542 586995214 /nfs/dbraw/zinc/99/52/14/586995214.db2.gz JEEKRSVDEZNBKF-UHFFFAOYSA-N 0 3 240.347 1.780 20 30 BDEDHN CC[C@@H](C)CON=C1CCN(CCO)CC1 ZINC000819813278 586997834 /nfs/dbraw/zinc/99/78/34/586997834.db2.gz LWWBITUSFHKEBZ-LLVKDONJSA-N 0 3 228.336 1.493 20 30 BDEDHN C=CCN(CCC#N)C(=O)[C@H]1CCCN1C(C)C ZINC000820223606 587036096 /nfs/dbraw/zinc/03/60/96/587036096.db2.gz GDBXGMXFQWDTRT-CYBMUJFWSA-N 0 3 249.358 1.787 20 30 BDEDHN C#CCN(CC#C)C(=O)CN(C)CC(C)(C)C ZINC000820458536 587050094 /nfs/dbraw/zinc/05/00/94/587050094.db2.gz YAACAEPIWWGBGG-UHFFFAOYSA-N 0 3 234.343 1.059 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)NC(C)(C)CN(C)C ZINC000820666980 587064656 /nfs/dbraw/zinc/06/46/56/587064656.db2.gz PWJQLZNRBYCVGK-NSHDSACASA-N 0 3 239.363 1.428 20 30 BDEDHN C#CCN(C)C(=O)CN(C)CC(C)(C)C ZINC000822369513 587164523 /nfs/dbraw/zinc/16/45/23/587164523.db2.gz ASZGWYVDSCNGIQ-UHFFFAOYSA-N 0 3 210.321 1.056 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@H]1SC)[C@@H]1CCCO1 ZINC000822470344 587168962 /nfs/dbraw/zinc/16/89/62/587168962.db2.gz NELOPDLKDVJNBQ-WHOHXGKFSA-N 0 3 225.357 1.651 20 30 BDEDHN C#CCN[C@H](c1ccc(OC)nc1)C1CC1 ZINC000860203926 589088959 /nfs/dbraw/zinc/08/89/59/589088959.db2.gz GUWZYWUCRFMEEG-ZDUSSCGKSA-N 0 3 216.284 1.764 20 30 BDEDHN COC(=O)C1(C#N)CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000824871734 587291384 /nfs/dbraw/zinc/29/13/84/587291384.db2.gz KGJCLUSTSPTRLM-WDEREUQCSA-N 0 3 236.315 1.421 20 30 BDEDHN COC(=O)C1(C#N)CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000824871733 587291396 /nfs/dbraw/zinc/29/13/96/587291396.db2.gz KGJCLUSTSPTRLM-QWRGUYRKSA-N 0 3 236.315 1.421 20 30 BDEDHN C=CCC[C@@H](CO)NCc1ccc(F)nc1C ZINC000825169186 587307450 /nfs/dbraw/zinc/30/74/50/587307450.db2.gz XEXRAZLLVUYVHQ-LBPRGKRZSA-N 0 3 238.306 1.946 20 30 BDEDHN N#CCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000826381340 587352598 /nfs/dbraw/zinc/35/25/98/587352598.db2.gz IEBCPLDDKNUQFG-UHFFFAOYSA-N 0 3 248.315 1.322 20 30 BDEDHN C#Cc1cnc(NC[C@H]2CCCN2CC)nc1 ZINC000827286787 587375444 /nfs/dbraw/zinc/37/54/44/587375444.db2.gz AEZMBYYCJYGJDP-GFCCVEGCSA-N 0 3 230.315 1.354 20 30 BDEDHN C#Cc1cnc(NCCN2CCC[C@@H](C)C2)nc1 ZINC000827396571 587379787 /nfs/dbraw/zinc/37/97/87/587379787.db2.gz VGURQQYIZNOXSO-GFCCVEGCSA-N 0 3 244.342 1.602 20 30 BDEDHN C#Cc1cnc(N2CC[C@H](N3CCCC3)C2)nc1 ZINC000827542274 587386420 /nfs/dbraw/zinc/38/64/20/587386420.db2.gz DJGQKDHQZRAVOF-ZDUSSCGKSA-N 0 3 242.326 1.132 20 30 BDEDHN C#C[C@H](NCc1ccc(C)nc1)C1CCOCC1 ZINC000827559762 587387982 /nfs/dbraw/zinc/38/79/82/587387982.db2.gz JABIOFOHTFQIPF-HNNXBMFYSA-N 0 3 244.338 1.908 20 30 BDEDHN C#C[C@@H](NCc1cnccc1C)C1CCOCC1 ZINC000827559525 587388055 /nfs/dbraw/zinc/38/80/55/587388055.db2.gz GTIPXVCTUUQFBK-OAHLLOKOSA-N 0 3 244.338 1.908 20 30 BDEDHN C=C[C@H](CO)NCc1ccc(N(C)C)cc1C ZINC000827714253 587398875 /nfs/dbraw/zinc/39/88/75/587398875.db2.gz AFQGNUPMCDFKET-CYBMUJFWSA-N 0 3 234.343 1.698 20 30 BDEDHN C#C[C@H](NCCC[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000828306859 587433355 /nfs/dbraw/zinc/43/33/55/587433355.db2.gz JGZDMKBSLTWCCU-RDBSUJKOSA-N 0 3 237.343 1.574 20 30 BDEDHN C#CCCN1CCN(CC2CC(F)(F)C2)CC1 ZINC000828519265 587446994 /nfs/dbraw/zinc/44/69/94/587446994.db2.gz KBUIUZOQHSSDDH-UHFFFAOYSA-N 0 3 242.313 1.673 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000828681765 587456978 /nfs/dbraw/zinc/45/69/78/587456978.db2.gz ZRLXBRKHCPSDPP-LBPRGKRZSA-N 0 3 222.332 1.198 20 30 BDEDHN CC(C)C#CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000828676990 587457002 /nfs/dbraw/zinc/45/70/02/587457002.db2.gz BEOVBSNVTVZWEV-RYUDHWBXSA-N 0 3 222.332 1.245 20 30 BDEDHN C#CC[C@H](NCC[S@@](C)=O)c1ccccc1 ZINC000828686944 587457519 /nfs/dbraw/zinc/45/75/19/587457519.db2.gz CHYLMKXSSYFOEB-XJKSGUPXSA-N 0 3 235.352 1.719 20 30 BDEDHN C#CCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000828762268 587460616 /nfs/dbraw/zinc/46/06/16/587460616.db2.gz DYXWBHQBIFMKFY-NSHDSACASA-N 0 3 228.286 1.425 20 30 BDEDHN C#CCCCN[C@](C)(CO)c1cccc(O)c1 ZINC000829921165 587528137 /nfs/dbraw/zinc/52/81/37/587528137.db2.gz HWCAMXFTYOCODM-CQSZACIVSA-N 0 3 233.311 1.603 20 30 BDEDHN N#CC[C@]1(O)CCN(CC2CC(F)(F)C2)C1 ZINC000829998099 587531417 /nfs/dbraw/zinc/53/14/17/587531417.db2.gz HPMDFYKSLXUXMY-JTQLQIEISA-N 0 3 230.258 1.382 20 30 BDEDHN CC(C#N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000830172346 587540060 /nfs/dbraw/zinc/54/00/60/587540060.db2.gz LTQRKWSACUDKGY-GHMZBOCLSA-N 0 3 236.315 1.754 20 30 BDEDHN C#CC1CCN(Cc2ccc(OC)nc2)CC1 ZINC000830329673 587546252 /nfs/dbraw/zinc/54/62/52/587546252.db2.gz BGTLDEZBJTZYTM-UHFFFAOYSA-N 0 3 230.311 1.935 20 30 BDEDHN C#CC1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000830345628 587546511 /nfs/dbraw/zinc/54/65/11/587546511.db2.gz KVVYMJQWVXJJPZ-ZDUSSCGKSA-N 0 3 247.338 1.817 20 30 BDEDHN C#CC1CCN(CCOCC(F)F)CC1 ZINC000830345909 587547067 /nfs/dbraw/zinc/54/70/67/587547067.db2.gz YNYHNSSZKHKESJ-UHFFFAOYSA-N 0 3 217.259 1.613 20 30 BDEDHN C[C@@H](CCC#N)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830910266 587576942 /nfs/dbraw/zinc/57/69/42/587576942.db2.gz MPQBHOKOMTUVCO-AXFHLTTASA-N 0 3 237.303 1.109 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ncc(C)cc1C ZINC000831548270 587618052 /nfs/dbraw/zinc/61/80/52/587618052.db2.gz JBCXUUGAKDNXKS-UHFFFAOYSA-N 0 3 247.342 1.432 20 30 BDEDHN CO[C@H]1CCN(CCO[C@H](C)C#N)CC1(C)C ZINC000831547662 587618418 /nfs/dbraw/zinc/61/84/18/587618418.db2.gz UIGOMEDRACFYRF-NEPJUHHUSA-N 0 3 240.347 1.662 20 30 BDEDHN CC(C)C#CC(=O)N1CCCC12CCN(C)CC2 ZINC000831556654 587618988 /nfs/dbraw/zinc/61/89/88/587618988.db2.gz XLLYBUDXFDCQOV-UHFFFAOYSA-N 0 3 248.370 1.733 20 30 BDEDHN CC(C#N)C(=O)NC[C@H]1CCCC2(CCC2)O1 ZINC000832326111 587654279 /nfs/dbraw/zinc/65/42/79/587654279.db2.gz CAOKGQOZSQKHQF-WDEREUQCSA-N 0 3 236.315 1.754 20 30 BDEDHN CC(C#N)C(=O)NC[C@]1(C)CCCCO1 ZINC000832488861 587663207 /nfs/dbraw/zinc/66/32/07/587663207.db2.gz VNUQJIIEPZBMFW-KOLCDFICSA-N 0 3 210.277 1.221 20 30 BDEDHN CC(C#N)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000833834867 587735288 /nfs/dbraw/zinc/73/52/88/587735288.db2.gz YSZPLVWXKMTHIT-SVRRBLITSA-N 0 3 235.114 1.846 20 30 BDEDHN FC1(F)CC1=CNN=c1nc[nH]c2[nH]cnc21 ZINC000834941198 587772148 /nfs/dbraw/zinc/77/21/48/587772148.db2.gz DUYLMOCZTVDEBD-RXMQYKEDSA-N 0 3 238.201 1.406 20 30 BDEDHN COC[C@@H](C)NN=C1CCCc2cc(N)ccc21 ZINC000834970451 587774098 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C[C@H](CO)NCc1cc(C#N)ccc1N(C)C ZINC000865428006 589435327 /nfs/dbraw/zinc/43/53/27/589435327.db2.gz LUZIMORBSCPGHY-SNVBAGLBSA-N 0 3 233.315 1.095 20 30 BDEDHN C=CCNC(=O)CN[C@H](C)Cc1cccc(C)c1 ZINC000866325498 589486458 /nfs/dbraw/zinc/48/64/58/589486458.db2.gz CNLIPCGTMAONKS-CYBMUJFWSA-N 0 3 246.354 1.818 20 30 BDEDHN C=C(C)CNCc1ccc(OCC(N)=O)cc1 ZINC000122522644 589599349 /nfs/dbraw/zinc/59/93/49/589599349.db2.gz RZLMUDNCOVJGRQ-UHFFFAOYSA-N 0 3 234.299 1.216 20 30 BDEDHN C=CCOCC(=O)O[C@@H](CC)CN(C)C ZINC000870551149 589674321 /nfs/dbraw/zinc/67/43/21/589674321.db2.gz LVEPFYJAXIIUQA-JTQLQIEISA-N 0 3 215.293 1.072 20 30 BDEDHN CC[C@@H](CN(C)C)OC(=O)c1ccnc(C#N)c1 ZINC000870553824 589675496 /nfs/dbraw/zinc/67/54/96/589675496.db2.gz SOSVNQQHIFEGRV-LBPRGKRZSA-N 0 3 247.298 1.450 20 30 BDEDHN CC[C@H](CN(C)C)OC(=O)CC(C)(C)C#N ZINC000870554116 589675542 /nfs/dbraw/zinc/67/55/42/589675542.db2.gz ZIXNROHFHIAEBP-SNVBAGLBSA-N 0 3 226.320 1.810 20 30 BDEDHN CC(C)[C@@H](CN(C)C)OC(=O)CSCC#N 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/nfs/dbraw/zinc/25/86/90/590258690.db2.gz FTAIEAMJVAWRHC-UHFFFAOYSA-N 0 3 228.295 1.806 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccn(CC)n1 ZINC000876961254 590261406 /nfs/dbraw/zinc/26/14/06/590261406.db2.gz DZFYGZIPSXDYJR-QMMMGPOBSA-N 0 3 242.710 1.311 20 30 BDEDHN C#CCCCCCCNCCS(C)(=O)=O ZINC000876975034 590263414 /nfs/dbraw/zinc/26/34/14/590263414.db2.gz AMSRKDSXAFXJKX-UHFFFAOYSA-N 0 3 231.361 1.204 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@](C)(C#N)C1 ZINC000876976678 590263611 /nfs/dbraw/zinc/26/36/11/590263611.db2.gz OPHFAUSCCAPSNH-GXSJLCMTSA-N 0 3 241.722 1.218 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000876979334 590264220 /nfs/dbraw/zinc/26/42/20/590264220.db2.gz BHAHCYREAVMPAF-UWVGGRQHSA-N 0 3 244.766 1.961 20 30 BDEDHN C=CC(C)(C)CCNC(=O)[C@]1(F)CCNC1 ZINC000876991251 590266453 /nfs/dbraw/zinc/26/64/53/590266453.db2.gz VZLDHSMMGTYPNG-LBPRGKRZSA-N 0 3 228.311 1.407 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C)CCOCC1 ZINC000877233074 590301649 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/nfs/dbraw/zinc/90/55/15/962905515.db2.gz YTARPBNZSGEXFP-UHFFFAOYSA-N 0 3 248.370 1.947 20 30 BDEDHN N#Cc1cc2nc(-n3nccc3CN)ccc2[nH]1 ZINC001155124420 962984059 /nfs/dbraw/zinc/98/40/59/962984059.db2.gz IPXRLTAZSRTBTF-UHFFFAOYSA-N 0 3 238.254 1.079 20 30 BDEDHN C=CCCC(=O)N[C@]1(C)CCN(CCOC)C1 ZINC001270557493 963011576 /nfs/dbraw/zinc/01/15/76/963011576.db2.gz LODFWLHALCHLQI-CYBMUJFWSA-N 0 3 240.347 1.180 20 30 BDEDHN C=C(C)CNc1cc2c(nn1)CCNC2 ZINC001155661178 963143852 /nfs/dbraw/zinc/14/38/52/963143852.db2.gz WQZSCTQRHJGMRP-UHFFFAOYSA-N 0 3 204.277 1.110 20 30 BDEDHN Cc1cnc(NC2=CC(=O)CCC2)c(CN)c1 ZINC001155710351 963162492 /nfs/dbraw/zinc/16/24/92/963162492.db2.gz VSHUYTDGMTYGRA-UHFFFAOYSA-N 0 3 231.299 1.898 20 30 BDEDHN C=CCOCC(=O)NCCCNCC(=C)Cl ZINC001155725176 963170694 /nfs/dbraw/zinc/17/06/94/963170694.db2.gz KDBUUDQGIXUGGH-UHFFFAOYSA-N 0 3 246.738 1.037 20 30 BDEDHN CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659245 963227398 /nfs/dbraw/zinc/22/73/98/963227398.db2.gz GZNDVGBRVZIEHZ-YNEHKIRRSA-N 0 3 249.358 1.549 20 30 BDEDHN Cc1cc(CN)nn1-c1nccc(C#N)c1F ZINC001156039060 963232073 /nfs/dbraw/zinc/23/20/73/963232073.db2.gz LPKPSTONKGLGJZ-UHFFFAOYSA-N 0 3 231.234 1.045 20 30 BDEDHN CN1C[C@H](NC(=O)CC2(C#N)CC2)C(C)(C)C1 ZINC001156598333 963403785 /nfs/dbraw/zinc/40/37/85/963403785.db2.gz QIZCQOOFDDIQSZ-JTQLQIEISA-N 0 3 235.331 1.137 20 30 BDEDHN C#CCN1CC[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2C1 ZINC001087863095 963432363 /nfs/dbraw/zinc/43/23/63/963432363.db2.gz UETOCZGCZBHDAU-KGLIPLIRSA-N 0 3 246.354 1.200 20 30 BDEDHN C#CCC1(O)CCN(Cc2cccc(O)c2)CC1 ZINC000895676038 963439825 /nfs/dbraw/zinc/43/98/25/963439825.db2.gz YJHFCNOIKUEVTH-UHFFFAOYSA-N 0 3 245.322 1.742 20 30 BDEDHN N#Cc1ccccc1CNc1cc(CN)ncn1 ZINC001156785759 963462963 /nfs/dbraw/zinc/46/29/63/963462963.db2.gz FWAVEZFUVSSIDT-UHFFFAOYSA-N 0 3 239.282 1.419 20 30 BDEDHN CN1CCC[C@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC001157260128 963567670 /nfs/dbraw/zinc/56/76/70/963567670.db2.gz IFAZWFYPGSMMBK-STQMWFEESA-N 0 3 242.326 1.484 20 30 BDEDHN C=C(C)CN1CC[C@H](NC(=O)CC)[C@H]1C ZINC001088435582 963771078 /nfs/dbraw/zinc/77/10/78/963771078.db2.gz IHISTPLGLADYNI-MNOVXSKESA-N 0 3 210.321 1.552 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)C(C)(F)F ZINC001482575349 963814512 /nfs/dbraw/zinc/81/45/12/963814512.db2.gz KKRKXCSDRFWDEF-UHFFFAOYSA-N 0 3 232.274 1.055 20 30 BDEDHN C[C@H](N)c1ccn(-c2nccc(F)c2C#N)n1 ZINC001158350290 963851740 /nfs/dbraw/zinc/85/17/40/963851740.db2.gz IHFDYYXJSGOSKY-ZETCQYMHSA-N 0 3 231.234 1.298 20 30 BDEDHN C[C@@H](N)c1ccn(-c2cc(CC#N)ccn2)n1 ZINC001158351088 963855622 /nfs/dbraw/zinc/85/56/22/963855622.db2.gz TZFSOCAHBUBEIJ-SECBINFHSA-N 0 3 227.271 1.353 20 30 BDEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CCC1(F)F ZINC001272041057 963918468 /nfs/dbraw/zinc/91/84/68/963918468.db2.gz KZNWNHRUBJRQGD-SNVBAGLBSA-N 0 3 246.301 1.608 20 30 BDEDHN C=C[C@@H](CO)Nc1cc(CN(C)C)ccn1 ZINC001158818221 963933564 /nfs/dbraw/zinc/93/35/64/963933564.db2.gz VXNKBBCHYOHZPZ-NSHDSACASA-N 0 3 221.304 1.102 20 30 BDEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001038128576 963951588 /nfs/dbraw/zinc/95/15/88/963951588.db2.gz MLJQRNPGPMJGBX-CYBMUJFWSA-N 0 3 234.343 1.719 20 30 BDEDHN CC(C)(S)CNc1cc(CN)ncn1 ZINC001159266134 964042552 /nfs/dbraw/zinc/04/25/52/964042552.db2.gz CAGYFUBSDUYXNX-UHFFFAOYSA-N 0 3 212.322 1.056 20 30 BDEDHN C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001482810296 964212475 /nfs/dbraw/zinc/21/24/75/964212475.db2.gz PTIDHENDJZZNPJ-LLVKDONJSA-N 0 3 248.326 1.676 20 30 BDEDHN CC#CCNCCN(CC)C(=O)C1CCC1 ZINC001482906614 964239588 /nfs/dbraw/zinc/23/95/88/964239588.db2.gz DGEXSPWEDUZYFX-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN CC#CCNC/C=C/CNC(=O)c1[nH]ccc1C ZINC001483003616 964296935 /nfs/dbraw/zinc/29/69/35/964296935.db2.gz QEQFSIMBWHOLOK-AATRIKPKSA-N 0 3 245.326 1.222 20 30 BDEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC(C)(F)F)C1 ZINC000989397765 964332645 /nfs/dbraw/zinc/33/26/45/964332645.db2.gz CKELFHRUGUISLO-ZJUUUORDSA-N 0 3 244.285 1.244 20 30 BDEDHN C=CCN1CCC[C@H]1CNc1ncccc1N ZINC001160952940 964454420 /nfs/dbraw/zinc/45/44/20/964454420.db2.gz JWGWBVGDYRXCRR-NSHDSACASA-N 0 3 232.331 1.726 20 30 BDEDHN C=CCC[NH2+]C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001483208478 964830204 /nfs/dbraw/zinc/83/02/04/964830204.db2.gz DOPUAWLJGAEEGZ-NSHDSACASA-N 0 3 248.326 1.676 20 30 BDEDHN N#Cc1cc2ccccc2nc1-n1cnc(CN)c1 ZINC001162296315 964913163 /nfs/dbraw/zinc/91/31/63/964913163.db2.gz DVTWBNDGPAYBRD-UHFFFAOYSA-N 0 3 249.277 1.751 20 30 BDEDHN N#Cc1ccc2cc(-n3cnc(CN)c3)ccc2n1 ZINC001162304445 964919605 /nfs/dbraw/zinc/91/96/05/964919605.db2.gz JPJHALYIQQSZOR-UHFFFAOYSA-N 0 3 249.277 1.751 20 30 BDEDHN CN1CCC[C@](C)(Nc2ncccc2C#N)C1 ZINC001162330152 964933538 /nfs/dbraw/zinc/93/35/38/964933538.db2.gz AQPANOPBMRPWRM-ZDUSSCGKSA-N 0 3 230.315 1.849 20 30 BDEDHN Cc1cnc(N[C@]2(C)CCCN(C)C2)c(C#N)n1 ZINC001162337023 964937298 /nfs/dbraw/zinc/93/72/98/964937298.db2.gz JVYUDKVZVUDWHL-CYBMUJFWSA-N 0 3 245.330 1.553 20 30 BDEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(C)n1 ZINC001483312192 964966739 /nfs/dbraw/zinc/96/67/39/964966739.db2.gz SKESCWNCNFGCPE-GFCCVEGCSA-N 0 3 247.342 1.626 20 30 BDEDHN C#CC1(Nc2cc(CN)ncn2)CCCCC1 ZINC001162478492 964993661 /nfs/dbraw/zinc/99/36/61/964993661.db2.gz HDDKLBVNGBPHDO-UHFFFAOYSA-N 0 3 230.315 1.683 20 30 BDEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCC=C)C1 ZINC001507309495 965002699 /nfs/dbraw/zinc/00/26/99/965002699.db2.gz RDPIWBOBVIFYAS-NEPJUHHUSA-N 0 3 220.316 1.165 20 30 BDEDHN Cc1cccc(-n2nccc2CN)c1C#N ZINC001162593580 965063939 /nfs/dbraw/zinc/06/39/39/965063939.db2.gz KIUAHMKQXIWKCQ-UHFFFAOYSA-N 0 3 212.256 1.511 20 30 BDEDHN N#CCc1cc(F)cc(-n2nccc2CN)c1 ZINC001162597769 965072325 /nfs/dbraw/zinc/07/23/25/965072325.db2.gz RORHSRPPXNQYSL-UHFFFAOYSA-N 0 3 230.246 1.536 20 30 BDEDHN [O-]/N=C/c1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001163202404 965300613 /nfs/dbraw/zinc/30/06/13/965300613.db2.gz HHSHKNHHAZNXKJ-VILHKJLSSA-N 0 3 247.298 1.038 20 30 BDEDHN C#CCNc1cc(N(C)C)c(C(=O)OCC)cn1 ZINC001163357750 965361081 /nfs/dbraw/zinc/36/10/81/965361081.db2.gz VMQXFNSDJXCNTO-UHFFFAOYSA-N 0 3 247.298 1.369 20 30 BDEDHN C=CCCC[C@H](N)C(=O)NCCc1cccnc1 ZINC001121906203 965669085 /nfs/dbraw/zinc/66/90/85/965669085.db2.gz RBGMEEBUDILZHP-ZDUSSCGKSA-N 0 3 247.342 1.424 20 30 BDEDHN Cc1cc(CN)nn1-c1cccc(CC#N)c1F ZINC001163985386 965678658 /nfs/dbraw/zinc/67/86/58/965678658.db2.gz OOCPDXSSSUYKSJ-UHFFFAOYSA-N 0 3 244.273 1.845 20 30 BDEDHN Cc1cc(C[NH3+])nn1-c1cccc(/C=N/[O-])c1 ZINC001163985779 965678743 /nfs/dbraw/zinc/67/87/43/965678743.db2.gz BRZZEZRONXAEFH-RIYZIHGNSA-N 0 3 230.271 1.448 20 30 BDEDHN CNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC001122427424 965849488 /nfs/dbraw/zinc/84/94/88/965849488.db2.gz HKIQGHRIRYVQGJ-RKDXNWHRSA-N 0 3 234.255 1.228 20 30 BDEDHN CCN(CC)C(=O)[C@H](C)NC#C[Si](C)(C)C ZINC001164610062 965931987 /nfs/dbraw/zinc/93/19/87/965931987.db2.gz GOGUPJUJCRMUCV-NSHDSACASA-N 0 3 240.423 1.671 20 30 BDEDHN CN(CCN1CCCC1)c1nccc(F)c1C#N ZINC001165140058 965969667 /nfs/dbraw/zinc/96/96/67/965969667.db2.gz GNDGFFICZUOAOK-UHFFFAOYSA-N 0 3 248.305 1.624 20 30 BDEDHN CC(C)N1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001165199383 965984957 /nfs/dbraw/zinc/98/49/57/965984957.db2.gz SLBGFUJOVIRCPG-LLVKDONJSA-N 0 3 245.330 1.267 20 30 BDEDHN CC#CCNC1(CNC(=O)[C@H]2CC23CC3)CC1 ZINC001483771549 966315497 /nfs/dbraw/zinc/31/54/97/966315497.db2.gz UUXFGJOFHUZKJV-LLVKDONJSA-N 0 3 232.327 1.048 20 30 BDEDHN O=C1C=C[C@H](OCCN2CCCCC2)C1 ZINC001206718499 966421235 /nfs/dbraw/zinc/42/12/35/966421235.db2.gz QRFSLIBOSBTZEO-LBPRGKRZSA-N 0 3 209.289 1.387 20 30 BDEDHN C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001485123217 966549025 /nfs/dbraw/zinc/54/90/25/966549025.db2.gz APULZPSDTHLJJA-WDEREUQCSA-N 0 3 248.326 1.675 20 30 BDEDHN C=CCN(C)[C@H](C)CNC(=O)C[C@H](C)SC ZINC001485293287 966580559 /nfs/dbraw/zinc/58/05/59/966580559.db2.gz BHWJYENRNUTNRM-MNOVXSKESA-N 0 3 244.404 1.751 20 30 BDEDHN C#CCN(C)Cc1cccc(OC)c1O ZINC001203596878 966700068 /nfs/dbraw/zinc/70/00/68/966700068.db2.gz QYERNRIGOGGHSN-UHFFFAOYSA-N 0 3 205.257 1.466 20 30 BDEDHN C[C@@H](C#N)C(=O)NCCNCc1ccsc1 ZINC001124902377 966710874 /nfs/dbraw/zinc/71/08/74/966710874.db2.gz JBKMZSKIQYOYHI-VIFPVBQESA-N 0 3 237.328 1.114 20 30 BDEDHN N#Cc1ccc(CN2CCN3CC[C@H]3C2)cc1 ZINC001203906006 966819265 /nfs/dbraw/zinc/81/92/65/966819265.db2.gz ITFUQWFKHPKRGB-AWEZNQCLSA-N 0 3 227.311 1.448 20 30 BDEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001049032008 967085054 /nfs/dbraw/zinc/08/50/54/967085054.db2.gz OXQFMBKJMCUSCK-RQJABVFESA-N 0 3 246.354 1.056 20 30 BDEDHN CC#CCNCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001128122466 967222682 /nfs/dbraw/zinc/22/26/82/967222682.db2.gz PRFUKTQGDDPZDT-AWEZNQCLSA-N 0 3 234.343 1.462 20 30 BDEDHN CN1CCN(CCCc2cccnc2C#N)CC1 ZINC001250231548 967536459 /nfs/dbraw/zinc/53/64/59/967536459.db2.gz RNJADAHIYYXCLS-UHFFFAOYSA-N 0 3 244.342 1.133 20 30 BDEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CC)C1 ZINC001205694203 967780538 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411929195 /nfs/dbraw/zinc/92/91/95/411929195.db2.gz NIZYJCBCLOORTA-BFHYXJOUSA-N 0 3 248.370 1.917 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]2C1 ZINC000661976596 411931560 /nfs/dbraw/zinc/93/15/60/411931560.db2.gz VSOIRBMZGDFFBH-HBNTYKKESA-N 0 3 208.305 1.019 20 30 BDEDHN C=CCNC(=O)[C@@H](C)NC1(CC(C)C)CC1 ZINC000662068089 411970512 /nfs/dbraw/zinc/97/05/12/411970512.db2.gz BEMJRMKQBMBUNL-LLVKDONJSA-N 0 3 224.348 1.845 20 30 BDEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)C ZINC000662079138 411979233 /nfs/dbraw/zinc/97/92/33/411979233.db2.gz KOILPWLGFRLTBD-TXEJJXNPSA-N 0 3 222.332 1.694 20 30 BDEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@@]1(C)CO ZINC000662145958 412005647 /nfs/dbraw/zinc/00/56/47/412005647.db2.gz PAVUCSYGBRBKDV-ZBFHGGJFSA-N 0 3 243.350 1.988 20 30 BDEDHN C=C[C@H](CO)NCCOc1cc(C)cc(C)c1 ZINC000662165937 412014292 /nfs/dbraw/zinc/01/42/92/412014292.db2.gz QMKSMAPRFHZZHO-CYBMUJFWSA-N 0 3 235.327 1.819 20 30 BDEDHN C=C[C@H](CO)NC[C@H](O)CCc1ccccc1 ZINC000662168621 412018157 /nfs/dbraw/zinc/01/81/57/412018157.db2.gz NMYLNUVFRINQKK-ZIAGYGMSSA-N 0 3 235.327 1.117 20 30 BDEDHN C=C(C)[C@@H](CO)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864614 412034951 /nfs/dbraw/zinc/03/49/51/412034951.db2.gz BJNBDEMHLNWRKT-CYBMUJFWSA-N 0 3 249.358 1.731 20 30 BDEDHN CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC000270892267 171089878 /nfs/dbraw/zinc/08/98/78/171089878.db2.gz LKEOPGVZCUGLEA-ZIAGYGMSSA-N 0 3 230.311 1.761 20 30 BDEDHN C=CC[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662466466 412184500 /nfs/dbraw/zinc/18/45/00/412184500.db2.gz YJXFOWGLTNVHNQ-JTQLQIEISA-N 0 3 230.311 1.984 20 30 BDEDHN CN(C[C@H]1CCCN(C)C1)c1ncccc1C#N ZINC000265194160 173041237 /nfs/dbraw/zinc/04/12/37/173041237.db2.gz ICYFESRYIVYNHQ-LBPRGKRZSA-N 0 3 244.342 1.731 20 30 BDEDHN CN(C[C@H]1CCCN(C)C1)c1cc(C#N)ccn1 ZINC000287369935 173042703 /nfs/dbraw/zinc/04/27/03/173042703.db2.gz QKAQRWRWLPFUBI-ZDUSSCGKSA-N 0 3 244.342 1.731 20 30 BDEDHN CN(c1ccc(C#N)cn1)[C@H]1CCCN(C)C1 ZINC000053246327 173043994 /nfs/dbraw/zinc/04/39/94/173043994.db2.gz YRSFSBOXCYXYQF-LBPRGKRZSA-N 0 3 230.315 1.484 20 30 BDEDHN CN1CC[C@H]2CCN(Cc3ccc(C#N)o3)C[C@H]21 ZINC000371552961 173159487 /nfs/dbraw/zinc/15/94/87/173159487.db2.gz KEJRCVSBDQLNRM-SMDDNHRTSA-N 0 3 245.326 1.677 20 30 BDEDHN CN1CC[C@H]2CCN(c3ncccc3C#N)[C@H]2C1 ZINC000272174746 173160813 /nfs/dbraw/zinc/16/08/13/173160813.db2.gz ITZNEXOXDZXVJD-AAEUAGOBSA-N 0 3 242.326 1.484 20 30 BDEDHN COCC1(C#N)CCN(CCC[C@@H](C)O)CC1 ZINC000341991503 174084689 /nfs/dbraw/zinc/08/46/89/174084689.db2.gz ODIWWKMDHIQKIE-GFCCVEGCSA-N 0 3 240.347 1.400 20 30 BDEDHN COCCCN(CCCC#N)CCOC ZINC000042256360 174222424 /nfs/dbraw/zinc/22/24/24/174222424.db2.gz NSDOTDYNVFOXQX-UHFFFAOYSA-N 0 3 214.309 1.275 20 30 BDEDHN COCCN1CC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000264616070 174313049 /nfs/dbraw/zinc/31/30/49/174313049.db2.gz QQLWZFQKYVSWQQ-GFCCVEGCSA-N 0 3 246.314 1.086 20 30 BDEDHN COCCOCCNCc1cccc(C#N)c1 ZINC000044424183 174357553 /nfs/dbraw/zinc/35/75/53/174357553.db2.gz SCNDOESDLZSSJA-UHFFFAOYSA-N 0 3 234.299 1.311 20 30 BDEDHN C[C@@H]1CCCCN1CCNc1cnc(C#N)cn1 ZINC000121551451 176071899 /nfs/dbraw/zinc/07/18/99/176071899.db2.gz BRVNJTLWSZHSTK-LLVKDONJSA-N 0 3 245.330 1.635 20 30 BDEDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc(C#N)o1 ZINC000293167561 176152850 /nfs/dbraw/zinc/15/28/50/176152850.db2.gz VYGSAONMMZMULR-MFKMUULPSA-N 0 3 234.299 1.792 20 30 BDEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CO ZINC000189696230 176174481 /nfs/dbraw/zinc/17/44/81/176174481.db2.gz NZMAAAMFUGONLT-BXUZGUMPSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@@H]1CCN(Cc2ccccc2C#N)[C@@H]1CO ZINC000189696531 176176521 /nfs/dbraw/zinc/17/65/21/176176521.db2.gz ZTQMSCPSIFAQAL-BXUZGUMPSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1CO ZINC000189696329 176176620 /nfs/dbraw/zinc/17/66/20/176176620.db2.gz BVKVVIJNJIEGMR-BXUZGUMPSA-N 0 3 230.311 1.761 20 30 BDEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1CO ZINC000362091188 176283299 /nfs/dbraw/zinc/28/32/99/176283299.db2.gz SBWZOVOFQTWRJC-TZMCWYRMSA-N 0 3 247.313 1.737 20 30 BDEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C1CC1 ZINC000301954966 176380763 /nfs/dbraw/zinc/38/07/63/176380763.db2.gz KJRSOAIDUJKTNG-MWLCHTKSSA-N 0 3 243.314 1.385 20 30 BDEDHN C[C@H](NCCOCCO)c1ccc(C#N)cc1 ZINC000020198659 176851222 /nfs/dbraw/zinc/85/12/22/176851222.db2.gz CNOVSOFOMLAADG-NSHDSACASA-N 0 3 234.299 1.218 20 30 BDEDHN C[C@H]1CCCCN1CCNc1nccnc1C#N ZINC000263756269 177075716 /nfs/dbraw/zinc/07/57/16/177075716.db2.gz FXYILGSRKIRCOP-NSHDSACASA-N 0 3 245.330 1.635 20 30 BDEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccc(C#N)n1 ZINC000270082190 177242181 /nfs/dbraw/zinc/24/21/81/177242181.db2.gz VIKPDTBPGXTEHV-GXFFZTMASA-N 0 3 242.326 1.848 20 30 BDEDHN C[C@H]1C[C@@H](N(C)c2ncccc2C#N)CCN1C ZINC000266207984 177326707 /nfs/dbraw/zinc/32/67/07/177326707.db2.gz FNBUYTOGEIWIGB-AAEUAGOBSA-N 0 3 244.342 1.872 20 30 BDEDHN C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C1CC1 ZINC000126744668 177334827 /nfs/dbraw/zinc/33/48/27/177334827.db2.gz GGTXDUMFUFHYBQ-VHSXEESVSA-N 0 3 243.314 1.385 20 30 BDEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CN1C1CC1 ZINC000133557293 177334908 /nfs/dbraw/zinc/33/49/08/177334908.db2.gz PFWRHZZYLFAOCO-CMPLNLGQSA-N 0 3 242.326 1.990 20 30 BDEDHN CN(C)C/C=C/C(=O)N(C)C1(C#N)CCC1 ZINC000491887202 225867981 /nfs/dbraw/zinc/86/79/81/225867981.db2.gz SBGHCORFKAFMDN-GQCTYLIASA-N 0 3 221.304 1.009 20 30 BDEDHN C[C@@H](C#N)CN(C)CCN1CCC(C)CC1 ZINC000493608176 226245475 /nfs/dbraw/zinc/24/54/75/226245475.db2.gz ZZQOHVCHPCYCLY-ZDUSSCGKSA-N 0 3 223.364 1.810 20 30 BDEDHN CN(C)C(=O)O[C@@H]1CCN(CCCCC#N)C1 ZINC000496392405 226303664 /nfs/dbraw/zinc/30/36/64/226303664.db2.gz MKDOBLNKWIZBBW-LLVKDONJSA-N 0 3 239.319 1.453 20 30 BDEDHN N#Cc1cncc(NCCN2CCCCC2)n1 ZINC000401260900 226354422 /nfs/dbraw/zinc/35/44/22/226354422.db2.gz NZZWHVUJLZLZLO-UHFFFAOYSA-N 0 3 231.303 1.246 20 30 BDEDHN COCC#CCN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000680989974 487688306 /nfs/dbraw/zinc/68/83/06/487688306.db2.gz HJPBQNMELLITMJ-DZGCQCFKSA-N 0 3 247.338 1.390 20 30 BDEDHN C=CCN1CCC(NC(=O)[C@H]2CC23CCC3)CC1 ZINC000675326709 487705915 /nfs/dbraw/zinc/70/59/15/487705915.db2.gz GTDAKVWYVJXEEN-CYBMUJFWSA-N 0 3 248.370 1.943 20 30 BDEDHN N#Cc1ccc(CNCC2COC2)c(F)c1 ZINC000527818947 268232097 /nfs/dbraw/zinc/23/20/97/268232097.db2.gz WERLXESLQBNHMW-UHFFFAOYSA-N 0 3 220.247 1.433 20 30 BDEDHN C=CCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674910314 487730247 /nfs/dbraw/zinc/73/02/47/487730247.db2.gz LBFKESIGPUQVML-VXGBXAGGSA-N 0 3 211.305 1.442 20 30 BDEDHN C[C@@H](CN1CCCCC1)Nc1cnc(C#N)cn1 ZINC000083647165 487732434 /nfs/dbraw/zinc/73/24/34/487732434.db2.gz HWBSDKBOXXQEHY-NSHDSACASA-N 0 3 245.330 1.635 20 30 BDEDHN C=C(C)CCN1CCN([C@H]2CCOC2)CC1 ZINC000681407635 487795773 /nfs/dbraw/zinc/79/57/73/487795773.db2.gz HMBYQMJMZJWCBS-ZDUSSCGKSA-N 0 3 224.348 1.359 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000672572870 487821156 /nfs/dbraw/zinc/82/11/56/487821156.db2.gz KDQOMZFBSFFDAK-UONOGXRCSA-N 0 3 248.370 1.733 20 30 BDEDHN C=C(CC)CN1CC[C@@H](n2cncn2)C1 ZINC000681606728 487824175 /nfs/dbraw/zinc/82/41/75/487824175.db2.gz VALFGENYOOPGRW-LLVKDONJSA-N 0 3 206.293 1.491 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)Cc1cccc(C#N)c1 ZINC000558025316 322945513 /nfs/dbraw/zinc/94/55/13/322945513.db2.gz LOPRUWDFJGVWQX-NSHDSACASA-N 0 3 245.326 1.167 20 30 BDEDHN C=C(C)[C@@H](CO)N1CC[C@H](C(F)(F)F)C1 ZINC000828528925 587447952 /nfs/dbraw/zinc/44/79/52/587447952.db2.gz DGWSOZOTHLIYAP-DTWKUNHWSA-N 0 3 223.238 1.808 20 30 BDEDHN C#CC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000830345749 587546663 /nfs/dbraw/zinc/54/66/63/587546663.db2.gz QZCYKADVSAQZLD-VIFPVBQESA-N 0 3 221.222 1.255 20 30 BDEDHN C=C[C@@H](C)ON=C1CCN(CCO)CC1 ZINC000844620893 588209568 /nfs/dbraw/zinc/20/95/68/588209568.db2.gz RGVUEQWHYLLKMW-SNVBAGLBSA-N 0 3 212.293 1.022 20 30 BDEDHN C#CCOCCN1CCC(OCC)CC1 ZINC000851733621 588619771 /nfs/dbraw/zinc/61/97/71/588619771.db2.gz AYSYWOLPZYYOTQ-UHFFFAOYSA-N 0 3 211.305 1.137 20 30 BDEDHN C=CCN(CCOC(F)F)[C@@H](C)COC ZINC000852357080 588679995 /nfs/dbraw/zinc/67/99/95/588679995.db2.gz WTSPVTSUCJQJFN-VIFPVBQESA-N 0 3 223.263 1.749 20 30 BDEDHN CC[C@@]1(CO)CCCN(CC#CCOC)C1 ZINC000681709863 487847143 /nfs/dbraw/zinc/84/71/43/487847143.db2.gz MAFIASLKSYZFQK-CYBMUJFWSA-N 0 3 225.332 1.121 20 30 BDEDHN COCC#CCN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000681711007 487847165 /nfs/dbraw/zinc/84/71/65/487847165.db2.gz MKZFGWMYKVNNMT-OLZOCXBDSA-N 0 3 225.332 1.119 20 30 BDEDHN C[C@H](CCO)C1(CNCCC#N)CCC1 ZINC000566232916 322977979 /nfs/dbraw/zinc/97/79/79/322977979.db2.gz VXKJIGBUJMVWNE-LLVKDONJSA-N 0 3 210.321 1.678 20 30 BDEDHN CCC#C[C@@H](C)N(C)CC1(O)CCOCC1 ZINC000682037318 487887048 /nfs/dbraw/zinc/88/70/48/487887048.db2.gz CTISZHPXAUTGND-GFCCVEGCSA-N 0 3 225.332 1.262 20 30 BDEDHN C=C(C)CNCc1ccccc1-n1cncn1 ZINC000682168368 487922454 /nfs/dbraw/zinc/92/24/54/487922454.db2.gz GFPREKLZMCJROG-UHFFFAOYSA-N 0 3 228.299 1.933 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC([C@@H]2CCCO2)CC1 ZINC000682221092 487925407 /nfs/dbraw/zinc/92/54/07/487925407.db2.gz HKEWDOPCVZFADU-KGLIPLIRSA-N 0 3 239.359 1.814 20 30 BDEDHN C=CCC[C@H](O)CN1CCc2cn[nH]c2C1 ZINC000676793384 487931595 /nfs/dbraw/zinc/93/15/95/487931595.db2.gz ZDZHQCSPSODYST-NSHDSACASA-N 0 3 221.304 1.095 20 30 BDEDHN Cc1cccc(OC[C@@H](O)CNCCCC#N)c1 ZINC000569594511 322972033 /nfs/dbraw/zinc/97/20/33/322972033.db2.gz RPSBVRDZBMOYQP-ZDUSSCGKSA-N 0 3 248.326 1.628 20 30 BDEDHN C=CC[C@@H](CO)N[C@H](C)c1ccnc(OC)c1 ZINC000559918723 322981079 /nfs/dbraw/zinc/98/10/79/322981079.db2.gz IHHQYQYUFLGHNX-PWSUYJOCSA-N 0 3 236.315 1.678 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@](C)(CC)C1 ZINC000247568538 323013375 /nfs/dbraw/zinc/01/33/75/323013375.db2.gz RMNQKVAWMXUIBF-OCCSQVGLSA-N 0 3 236.359 1.636 20 30 BDEDHN C=CCC[C@H](O)CN(C)[C@H](C)C[S@](C)=O ZINC000248624857 323028716 /nfs/dbraw/zinc/02/87/16/323028716.db2.gz OXJPJPWQTREYMH-ZETOZRRWSA-N 0 3 233.377 1.012 20 30 BDEDHN CCC[C@H](CNC(=O)C(C)C#N)C(=O)OCC ZINC000562943389 323034506 /nfs/dbraw/zinc/03/45/06/323034506.db2.gz SZRXUOOTVQUXPB-VHSXEESVSA-N 0 3 240.303 1.242 20 30 BDEDHN CC(C)COC[C@H](O)CNCC1(CC#N)CC1 ZINC000563003373 323079316 /nfs/dbraw/zinc/07/93/16/323079316.db2.gz QYEOPQTZGHGQRI-GFCCVEGCSA-N 0 3 240.347 1.303 20 30 BDEDHN C[C@H](CCC#N)N(C)CCN1CCCC1=O ZINC000563203186 323101670 /nfs/dbraw/zinc/10/16/70/323101670.db2.gz MYWLGDRMWYDBRD-LLVKDONJSA-N 0 3 223.320 1.233 20 30 BDEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccnn1C ZINC000320259768 323102314 /nfs/dbraw/zinc/10/23/14/323102314.db2.gz JNIRXOBNOQXDLV-WDEREUQCSA-N 0 3 223.320 1.398 20 30 BDEDHN C[C@H](O)[C@H]1CCCN(CCOCCC#N)C1 ZINC000571056185 323106037 /nfs/dbraw/zinc/10/60/37/323106037.db2.gz UIKZPKJUWSQESE-RYUDHWBXSA-N 0 3 226.320 1.009 20 30 BDEDHN N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)cn1 ZINC000571389400 323143391 /nfs/dbraw/zinc/14/33/91/323143391.db2.gz KZBPJLJKPWIEGI-TXEJJXNPSA-N 0 3 228.299 1.284 20 30 BDEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571509550 323146293 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/nfs/dbraw/zinc/06/56/72/585065672.db2.gz BQQXGKNFEZKVGY-UHFFFAOYSA-N 0 3 241.335 1.230 20 30 BDEDHN C=CCONC(=O)N[C@@H](CC)CN1CCCC1 ZINC000838711981 585067024 /nfs/dbraw/zinc/06/70/24/585067024.db2.gz OBYFNGUEGGUZMN-NSHDSACASA-N 0 3 241.335 1.278 20 30 BDEDHN C=CCS(=O)(=O)CCNC1CC2(CCC2)C1 ZINC000839008020 585086790 /nfs/dbraw/zinc/08/67/90/585086790.db2.gz JLGUQVQIMFPEAV-UHFFFAOYSA-N 0 3 243.372 1.510 20 30 BDEDHN C#C[C@@H](CC)NCC(C)(C)CC(=O)OCC ZINC000839088345 585090628 /nfs/dbraw/zinc/09/06/28/585090628.db2.gz RAAVZLADPAEHIE-NSHDSACASA-N 0 3 225.332 1.967 20 30 BDEDHN C#CCCN1CCC(NC(=O)C=C(C)C)CC1 ZINC000740737658 585106097 /nfs/dbraw/zinc/10/60/97/585106097.db2.gz HMFAMCAKNDGTLK-UHFFFAOYSA-N 0 3 234.343 1.557 20 30 BDEDHN C=C(C)CNC(=S)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000741501610 585115030 /nfs/dbraw/zinc/11/50/30/585115030.db2.gz DKWBEKFEXHFFIR-GHMZBOCLSA-N 0 3 241.404 1.509 20 30 BDEDHN C#CC[C@H]1CCN(CCn2ccccc2=O)C1 ZINC000886357264 585134061 /nfs/dbraw/zinc/13/40/61/585134061.db2.gz 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221.285 1.404 20 30 BDEDHN CCCCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342333 585390844 /nfs/dbraw/zinc/39/08/44/585390844.db2.gz WQVIBEDQZMEAEU-MNOVXSKESA-N 0 3 247.298 1.858 20 30 BDEDHN C#CCCCC(=O)NCCN1CCC[C@@H]1C ZINC000760872923 585400516 /nfs/dbraw/zinc/40/05/16/585400516.db2.gz KDVIRWHSHLHXPO-LBPRGKRZSA-N 0 3 222.332 1.390 20 30 BDEDHN C#CCOCCN(C)Cc1cccc(F)c1 ZINC000761107343 585409747 /nfs/dbraw/zinc/40/97/47/585409747.db2.gz DIHGHSHKBGBGOD-UHFFFAOYSA-N 0 3 221.275 1.907 20 30 BDEDHN CCCCCCCN1CC[C@@H](NC(N)=O)C1 ZINC000762924981 585439716 /nfs/dbraw/zinc/43/97/16/585439716.db2.gz IXQNRRNXGVLXGN-LLVKDONJSA-N 0 3 227.352 1.699 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000763873293 585455807 /nfs/dbraw/zinc/45/58/07/585455807.db2.gz CSKZIWIVRCWXCJ-UHFFFAOYSA-N 0 3 248.282 1.472 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccccc1 ZINC000763896750 585456435 /nfs/dbraw/zinc/45/64/35/585456435.db2.gz UGUYUIRFMUDNEK-UHFFFAOYSA-N 0 3 204.273 1.743 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCc2ccccc21 ZINC000763903395 585456817 /nfs/dbraw/zinc/45/68/17/585456817.db2.gz YKMRUUIXSHRJLZ-UHFFFAOYSA-N 0 3 230.311 1.694 20 30 BDEDHN C=C(CN(C)C)C(=O)NC(C1CC1)C1CC1 ZINC000764079798 585459062 /nfs/dbraw/zinc/45/90/62/585459062.db2.gz WQTVTAFOXVWAFP-UHFFFAOYSA-N 0 3 222.332 1.409 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCOc2ccccc21 ZINC000764226898 585461829 /nfs/dbraw/zinc/46/18/29/585461829.db2.gz BHTFNSGTWVGFBL-UHFFFAOYSA-N 0 3 246.310 1.530 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccccc1O ZINC000764419064 585465409 /nfs/dbraw/zinc/46/54/09/585465409.db2.gz UGNDWXBSAGCQKJ-UHFFFAOYSA-N 0 3 220.272 1.449 20 30 BDEDHN C=C(CN(C)C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000764439974 585465639 /nfs/dbraw/zinc/46/56/39/585465639.db2.gz BDMFMYISKWCDBJ-NSHDSACASA-N 0 3 236.359 1.894 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC#N)CC1CC1 ZINC000764498223 585466711 /nfs/dbraw/zinc/46/67/11/585466711.db2.gz DWCSQEKSAFBLFU-UHFFFAOYSA-N 0 3 235.331 1.256 20 30 BDEDHN Cc1cc(C)nc(N=NC2CCN3CCC[C@@H]23)n1 ZINC000765544701 585489330 /nfs/dbraw/zinc/48/93/30/585489330.db2.gz VEJZDFBDYOCRCK-LBPRGKRZSA-N 0 3 245.330 1.729 20 30 BDEDHN C[C@@H](CC#N)N=NC1CCN2CCC[C@H]12 ZINC000765582673 585490415 /nfs/dbraw/zinc/49/04/15/585490415.db2.gz FCAUHRFAPHLLLB-GXSJLCMTSA-N 0 3 206.293 1.102 20 30 BDEDHN C#CCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000766900512 585510351 /nfs/dbraw/zinc/51/03/51/585510351.db2.gz LKTPQHBXBKDYJS-VHSXEESVSA-N 0 3 235.249 1.787 20 30 BDEDHN C#CCCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000766901388 585510397 /nfs/dbraw/zinc/51/03/97/585510397.db2.gz NFVQNRSLRABQRI-CQSZACIVSA-N 0 3 248.370 1.877 20 30 BDEDHN C#CCC(C)(C)C(=O)NC[C@H](C)N1CCCC1 ZINC000767047573 585513054 /nfs/dbraw/zinc/51/30/54/585513054.db2.gz RHJAUIKDJZYQNO-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCC(C)(C)C(=O)NC1CCN(C)CC1 ZINC000767045307 585513124 /nfs/dbraw/zinc/51/31/24/585513124.db2.gz OVGMIGYZASTRJX-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H]1[C@@H](C)CCC ZINC000767909017 585528131 /nfs/dbraw/zinc/52/81/31/585528131.db2.gz YAUAMDBRWGTMRI-QWHCGFSZSA-N 0 3 236.359 1.636 20 30 BDEDHN C#CCOc1ccccc1CN1CC[C@H](O)C1 ZINC000768408549 585538112 /nfs/dbraw/zinc/53/81/12/585538112.db2.gz AUTZVIRVAZCDKV-ZDUSSCGKSA-N 0 3 231.295 1.265 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nccn2C)C1 ZINC000770027483 585569885 /nfs/dbraw/zinc/56/98/85/585569885.db2.gz UEDPHUHZMMVGLH-CHWSQXEVSA-N 0 3 249.358 1.537 20 30 BDEDHN C=CCOCC(=O)OCCN1CCCCC1 ZINC000770365742 585573484 /nfs/dbraw/zinc/57/34/84/585573484.db2.gz NYSCTZQOKKVNTG-UHFFFAOYSA-N 0 3 227.304 1.218 20 30 BDEDHN COc1ccc(C#N)cc1CN[C@@H](CO)C1CC1 ZINC000771813858 585601087 /nfs/dbraw/zinc/60/10/87/585601087.db2.gz QCHDBLKGLBQTQP-ZDUSSCGKSA-N 0 3 246.310 1.427 20 30 BDEDHN CCCCCCCOC(=O)C1CCN(C)C1=O ZINC000772534133 585617767 /nfs/dbraw/zinc/61/77/67/585617767.db2.gz OXSIFXNDHCUYMU-NSHDSACASA-N 0 3 241.331 1.978 20 30 BDEDHN C#C[C@@H](NCCCCC(=O)OC)[C@@H]1CCCO1 ZINC000859258147 589023920 /nfs/dbraw/zinc/02/39/20/589023920.db2.gz 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XOBBTKYCWRBLMW-KOLCDFICSA-N 0 3 245.330 1.854 20 30 BDEDHN C=C[C@H]1CCCCN1C[C@@](C)(O)C(=O)OCC ZINC000489439613 388213241 /nfs/dbraw/zinc/21/32/41/388213241.db2.gz RACNNSQIDUEDBY-WCQYABFASA-N 0 3 241.331 1.341 20 30 BDEDHN C=CCCCCN1CCc2nn(C)c(=O)cc2C1 ZINC000517855636 256553283 /nfs/dbraw/zinc/55/32/83/256553283.db2.gz XRLNXMLPEWDECI-UHFFFAOYSA-N 0 3 247.342 1.495 20 30 BDEDHN C=C(C)CN(CCOC)[C@H]1CCO[C@H]1C ZINC000489472044 388217606 /nfs/dbraw/zinc/21/76/06/388217606.db2.gz BRHLPFUNBHGPKB-RYUDHWBXSA-N 0 3 213.321 1.688 20 30 BDEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccn1C ZINC000449546965 388229144 /nfs/dbraw/zinc/22/91/44/388229144.db2.gz GBCTUFUUSYRPND-OLZOCXBDSA-N 0 3 220.316 1.848 20 30 BDEDHN C=C(CC)CN(CCOC)[C@H]1CCOC1 ZINC000490065196 388233198 /nfs/dbraw/zinc/23/31/98/388233198.db2.gz RQJLLAGOPODVBH-LBPRGKRZSA-N 0 3 213.321 1.690 20 30 BDEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC[C@@H]1O ZINC000164647424 388241931 /nfs/dbraw/zinc/24/19/31/388241931.db2.gz ITWCTNXREDOOAF-MNOVXSKESA-N 0 3 210.321 1.629 20 30 BDEDHN C[C@H]1CN(CCC(C)(C)C#N)CC[C@@H]1O ZINC000164647548 388241996 /nfs/dbraw/zinc/24/19/96/388241996.db2.gz ITWCTNXREDOOAF-QWRGUYRKSA-N 0 3 210.321 1.629 20 30 BDEDHN C#CCN[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000490922681 388260434 /nfs/dbraw/zinc/26/04/34/388260434.db2.gz FYNHZLAJIFABQK-NSHDSACASA-N 0 3 249.310 1.350 20 30 BDEDHN C#CCN(C(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC000491263699 388280989 /nfs/dbraw/zinc/28/09/89/388280989.db2.gz BFEMTGDJNROPGL-CYBMUJFWSA-N 0 3 236.359 1.731 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN1CCC ZINC000491382183 388290498 /nfs/dbraw/zinc/29/04/98/388290498.db2.gz HUFCGUZSTTUBKM-STQMWFEESA-N 0 3 236.359 1.779 20 30 BDEDHN C#C[C@@H](NC(=O)C12CCCN1CCC2)C(C)(C)C ZINC000491507468 388299742 /nfs/dbraw/zinc/29/97/42/388299742.db2.gz VFNSZAZETKAHEZ-GFCCVEGCSA-N 0 3 248.370 1.779 20 30 BDEDHN C=CCC[C@@H](O)CN1CCN([C@@H](C)CC)CC1 ZINC000451850291 388300133 /nfs/dbraw/zinc/30/01/33/388300133.db2.gz XCAKIJIIXPXEAZ-UONOGXRCSA-N 0 3 240.391 1.730 20 30 BDEDHN C#CCN(C)C[C@]1(O)CCc2ccccc21 ZINC000491514823 388300473 /nfs/dbraw/zinc/30/04/73/388300473.db2.gz KJUDEVRGNFKJQM-CQSZACIVSA-N 0 3 215.296 1.385 20 30 BDEDHN C=CCC[C@H](O)CN1CCN([C@H](C)CC)CC1 ZINC000451850290 388300504 /nfs/dbraw/zinc/30/05/04/388300504.db2.gz XCAKIJIIXPXEAZ-KGLIPLIRSA-N 0 3 240.391 1.730 20 30 BDEDHN C#C[C@H](CCC)NC(=O)NCCN(C)C1CC1 ZINC000491636721 388307249 /nfs/dbraw/zinc/30/72/49/388307249.db2.gz UAARAEOFFACXNM-LLVKDONJSA-N 0 3 237.347 1.182 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000491681005 388310429 /nfs/dbraw/zinc/31/04/29/388310429.db2.gz LIJJSBFJHBDTIR-AAEUAGOBSA-N 0 3 245.326 1.350 20 30 BDEDHN C#CCNC(=O)CCNCc1cscc1C ZINC000491691641 388311086 /nfs/dbraw/zinc/31/10/86/388311086.db2.gz GUXNOHPJBZFGOQ-UHFFFAOYSA-N 0 3 236.340 1.286 20 30 BDEDHN C#CCN(C)CCC(=O)Nc1ccc(C)cn1 ZINC000491725552 388315194 /nfs/dbraw/zinc/31/51/94/388315194.db2.gz HZHRRKDNXSNSKX-UHFFFAOYSA-N 0 3 231.299 1.284 20 30 BDEDHN C#CCN(C)CCCN[C@@H](C)c1cncnc1C ZINC000491760740 388318795 /nfs/dbraw/zinc/31/87/95/388318795.db2.gz SKVAPBIANSBVGX-LBPRGKRZSA-N 0 3 246.358 1.391 20 30 BDEDHN C#CCN(C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000491770298 388318939 /nfs/dbraw/zinc/31/89/39/388318939.db2.gz MAEWIWFZANUYBP-OCCSQVGLSA-N 0 3 217.312 1.716 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)[C@@H](CC)N(C)C ZINC000491769617 388319204 /nfs/dbraw/zinc/31/92/04/388319204.db2.gz NCMAKJXWVOUMKF-WDEREUQCSA-N 0 3 210.321 1.245 20 30 BDEDHN C#C[C@@H](CC)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000491777922 388320265 /nfs/dbraw/zinc/32/02/65/388320265.db2.gz GSNIHBVZCLKCHF-MNOVXSKESA-N 0 3 237.347 1.180 20 30 BDEDHN C#CC(C)(C)N(C)CCNC(=O)NC(C)C ZINC000491784287 388320939 /nfs/dbraw/zinc/32/09/39/388320939.db2.gz KSLUXLBBMSTYSI-UHFFFAOYSA-N 0 3 225.336 1.038 20 30 BDEDHN C#CCCN1CCC(NC(=O)/C=C/C=C\C)CC1 ZINC000491927732 388328140 /nfs/dbraw/zinc/32/81/40/388328140.db2.gz VMJCCTUZODVCNK-ZIQCHISCSA-N 0 3 246.354 1.723 20 30 BDEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](C(C)(C)C)C1 ZINC000490951016 388261975 /nfs/dbraw/zinc/26/19/75/388261975.db2.gz VQLDTWBLQLLFTI-NWDGAFQWSA-N 0 3 236.359 1.492 20 30 BDEDHN C#CCNC(=O)CCN(C)CCC(F)(F)F ZINC000491069773 388268045 /nfs/dbraw/zinc/26/80/45/388268045.db2.gz XXNMONVMZGSDLQ-UHFFFAOYSA-N 0 3 236.237 1.010 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N1CCN2CCC1CC2 ZINC000491167528 388274418 /nfs/dbraw/zinc/27/44/18/388274418.db2.gz YRXLBFJJJVKDBQ-LBPRGKRZSA-N 0 3 249.358 1.278 20 30 BDEDHN C#CCN(CCCNC(C)=O)Cc1ccccc1 ZINC000491179788 388275118 /nfs/dbraw/zinc/27/51/18/388275118.db2.gz HRIIEEKOYWSPDS-UHFFFAOYSA-N 0 3 244.338 1.648 20 30 BDEDHN C#CCN(CC#C)C[C@@H]1CCC(F)(F)C1 ZINC000491209065 388277228 /nfs/dbraw/zinc/27/72/28/388277228.db2.gz BKVJWGDZJMNUTJ-LLVKDONJSA-N 0 3 211.255 1.990 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](OC)[C@@H](C)C1 ZINC000451539130 388279938 /nfs/dbraw/zinc/27/99/38/388279938.db2.gz FCEMXIXMJHWHJW-SRVKXCTJSA-N 0 3 240.347 1.034 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](OC)[C@H](C)C1 ZINC000451539132 388280105 /nfs/dbraw/zinc/28/01/05/388280105.db2.gz FCEMXIXMJHWHJW-WOPDTQHZSA-N 0 3 240.347 1.034 20 30 BDEDHN N#Cc1ccc(CNC2(CO)CCCCC2)nc1 ZINC000593967300 388345774 /nfs/dbraw/zinc/34/57/74/388345774.db2.gz QLMLDGBTDKZHOS-UHFFFAOYSA-N 0 3 245.326 1.738 20 30 BDEDHN COC[C@H](CN[C@@H](C)c1cccc(C#N)c1)OC ZINC000227714479 388369431 /nfs/dbraw/zinc/36/94/31/388369431.db2.gz DEIIBTOYFGQCPT-FZMZJTMJSA-N 0 3 248.326 1.870 20 30 BDEDHN C[C@H]1OCC[C@]1(O)CNCc1cccc(C#N)c1 ZINC000227968344 388375651 /nfs/dbraw/zinc/37/56/51/388375651.db2.gz JDGXZUOLEZLAHM-RISCZKNCSA-N 0 3 246.310 1.188 20 30 BDEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152891426 388377459 /nfs/dbraw/zinc/37/74/59/388377459.db2.gz QCSWULMOUKHQAL-MCIONIFRSA-N 0 3 228.295 1.968 20 30 BDEDHN C=CCOCCN[C@H](CO)c1ccccc1C ZINC000572823087 388378964 /nfs/dbraw/zinc/37/89/64/388378964.db2.gz JBPADGLRMXMYRT-CQSZACIVSA-N 0 3 235.327 1.821 20 30 BDEDHN C[C@@H](NCCn1cncn1)c1ccc(C#N)cc1 ZINC000271717914 388398831 /nfs/dbraw/zinc/39/88/31/388398831.db2.gz WZAMFVXZYPFWLY-LLVKDONJSA-N 0 3 241.298 1.501 20 30 BDEDHN CCN(CCOC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000042493053 388444781 /nfs/dbraw/zinc/44/47/81/388444781.db2.gz JGBRDVJXJJILBI-CQSZACIVSA-N 0 3 248.326 1.560 20 30 BDEDHN C=CCC[C@H](CO)NCc1n[nH]c2ccccc21 ZINC000648821146 388413191 /nfs/dbraw/zinc/41/31/91/388413191.db2.gz MVQMHGLOFSXDTK-LLVKDONJSA-N 0 3 245.326 1.980 20 30 BDEDHN C=CCC[C@H](CO)NCc1[nH]nc2ccccc21 ZINC000648821146 388413193 /nfs/dbraw/zinc/41/31/93/388413193.db2.gz MVQMHGLOFSXDTK-LLVKDONJSA-N 0 3 245.326 1.980 20 30 BDEDHN CC#CCN(Cc1ccccc1)C[C@@H](C)O ZINC000525121295 388416845 /nfs/dbraw/zinc/41/68/45/388416845.db2.gz FLWVFRPIPWHGNX-CYBMUJFWSA-N 0 3 217.312 1.893 20 30 BDEDHN C=CCOCCN1CCC(C)(CO)CC1 ZINC000339097376 388479192 /nfs/dbraw/zinc/47/91/92/388479192.db2.gz VWWIMLZGYDQNHT-UHFFFAOYSA-N 0 3 213.321 1.283 20 30 BDEDHN CN(C)C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000271994751 388418263 /nfs/dbraw/zinc/41/82/63/388418263.db2.gz MQCBJIJCJJLKNP-GFCCVEGCSA-N 0 3 246.314 1.053 20 30 BDEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)NCC#N ZINC000525327801 388426021 /nfs/dbraw/zinc/42/60/21/388426021.db2.gz IRFBEZCGRAHAMS-NWDGAFQWSA-N 0 3 237.347 1.527 20 30 BDEDHN N#Cc1ccc(CN2CCN3CCC[C@H]3C2)s1 ZINC000245696186 388428171 /nfs/dbraw/zinc/42/81/71/388428171.db2.gz CHEOZMIKIDKIKH-NSHDSACASA-N 0 3 247.367 1.900 20 30 BDEDHN C[C@@H](CNCc1ccc(C#N)o1)N(C)C1CC1 ZINC000174357178 388438809 /nfs/dbraw/zinc/43/88/09/388438809.db2.gz SKPDVAWOXHCBCM-JTQLQIEISA-N 0 3 233.315 1.724 20 30 BDEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](n2ccnc2)C1 ZINC000649287099 388543129 /nfs/dbraw/zinc/54/31/29/388543129.db2.gz BYTBOFXRIXTACY-CHWSQXEVSA-N 0 3 235.331 1.457 20 30 BDEDHN C=CCN1CCC(NC(=O)C2(C)CC2)CC1 ZINC000177551585 388486224 /nfs/dbraw/zinc/48/62/24/388486224.db2.gz BKIOURXTFTYBDK-UHFFFAOYSA-N 0 3 222.332 1.553 20 30 BDEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCC1CC1 ZINC000135307512 388490548 /nfs/dbraw/zinc/49/05/48/388490548.db2.gz WCUXRWXEFAJKTI-LLVKDONJSA-N 0 3 237.347 1.479 20 30 BDEDHN C[C@@H](CO)[C@H](C)NCc1ccc(C#N)o1 ZINC000135487087 388498040 /nfs/dbraw/zinc/49/80/40/388498040.db2.gz WOQJLLNQEDAQGU-IUCAKERBSA-N 0 3 208.261 1.258 20 30 BDEDHN CC1(C(N)=O)CN(Cc2ccc(CC#N)cc2)C1 ZINC000516865086 388520959 /nfs/dbraw/zinc/52/09/59/388520959.db2.gz NPCBOWPLTFDKPC-UHFFFAOYSA-N 0 3 243.310 1.060 20 30 BDEDHN Cc1cc(C)c(C#N)c(N2CC(N(C)C)C2)n1 ZINC000273334190 388596230 /nfs/dbraw/zinc/59/62/30/388596230.db2.gz RQKQCJHKBAIDMH-UHFFFAOYSA-N 0 3 230.315 1.320 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N(CC)C[C@H](C)CC ZINC000245802781 388606908 /nfs/dbraw/zinc/60/69/08/388606908.db2.gz POCXZVUMYDDJQF-VXGBXAGGSA-N 0 3 224.348 1.492 20 30 BDEDHN COC[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000224673992 388557752 /nfs/dbraw/zinc/55/77/52/388557752.db2.gz CZWKGZNLAQUDID-FZMZJTMJSA-N 0 3 248.326 1.606 20 30 BDEDHN C=C(CC)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528779968 388572408 /nfs/dbraw/zinc/57/24/08/388572408.db2.gz ADPKBBYPODREEJ-XUJVJEKNSA-N 0 3 227.373 1.938 20 30 BDEDHN COC(=O)[C@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000549465647 388581205 /nfs/dbraw/zinc/58/12/05/388581205.db2.gz TWNVMWMKUMATDY-WOPDTQHZSA-N 0 3 236.315 1.564 20 30 BDEDHN C#CCN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000125354148 388671275 /nfs/dbraw/zinc/67/12/75/388671275.db2.gz OGAFCBVCSLGRNP-NSHDSACASA-N 0 3 203.285 1.888 20 30 BDEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H]1CO ZINC000192216230 388677131 /nfs/dbraw/zinc/67/71/31/388677131.db2.gz AWLASATULIBROB-QMTHXVAHSA-N 0 3 248.301 1.900 20 30 BDEDHN C[C@H](C(=O)NCCN(C)C)c1cccc(C#N)c1 ZINC000359843165 388630353 /nfs/dbraw/zinc/63/03/53/388630353.db2.gz HDOSWQBGFHJACS-NSHDSACASA-N 0 3 245.326 1.340 20 30 BDEDHN C[C@H](CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305840187 388643414 /nfs/dbraw/zinc/64/34/14/388643414.db2.gz YTNWDTFXBLVHBP-UWVGGRQHSA-N 0 3 236.290 1.976 20 30 BDEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(N)=O ZINC000061676776 388643748 /nfs/dbraw/zinc/64/37/48/388643748.db2.gz KJRKTGMEEDWFDD-SKDRFNHKSA-N 0 3 231.299 1.473 20 30 BDEDHN 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/nfs/dbraw/zinc/31/63/55/174316355.db2.gz JMNMLPCACUNWPH-LBPRGKRZSA-N 0 3 246.314 1.086 20 30 BDEDHN COc1ccc(CN[C@H](CO)C(C)C)cc1C#N ZINC000080789591 175111372 /nfs/dbraw/zinc/11/13/72/175111372.db2.gz NBDAZUDMLJGONL-CYBMUJFWSA-N 0 3 248.326 1.673 20 30 BDEDHN C[C@@H](NCCn1cnc(C#N)n1)c1ccoc1 ZINC000556925307 322931288 /nfs/dbraw/zinc/93/12/88/322931288.db2.gz PJPSLPXBBRGROD-SECBINFHSA-N 0 3 231.259 1.094 20 30 BDEDHN C[C@@H](O)CCNCc1cccc(C#N)c1 ZINC000078780746 175960165 /nfs/dbraw/zinc/96/01/65/175960165.db2.gz SWJVVBOLLBDTFQ-SNVBAGLBSA-N 0 3 204.273 1.419 20 30 BDEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCC(N)=O ZINC000299362100 176012657 /nfs/dbraw/zinc/01/26/57/176012657.db2.gz DXCUTYLLLFEJFG-JTQLQIEISA-N 0 3 231.299 1.426 20 30 BDEDHN C[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187723676 176016611 /nfs/dbraw/zinc/01/66/11/176016611.db2.gz AVGHZZLQHSMRQD-MNOVXSKESA-N 0 3 218.300 1.932 20 30 BDEDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1cccc(C#N)c1 ZINC000193628621 176184705 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CC[C@@H](NCCO)c1cccc(C#N)c1 ZINC000902728059 584661943 /nfs/dbraw/zinc/66/19/43/584661943.db2.gz JZOVOCDEKWHMRG-GFCCVEGCSA-N 0 3 204.273 1.591 20 30 BDEDHN C[C@@H](NC[C@H]1CCCN1C)c1cc(C#N)ccn1 ZINC000902766706 584666792 /nfs/dbraw/zinc/66/67/92/584666792.db2.gz QAMWVDUUGJQLRN-DGCLKSJQSA-N 0 3 244.342 1.698 20 30 BDEDHN COC[C@](C)(O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902799734 584675405 /nfs/dbraw/zinc/67/54/05/584675405.db2.gz GOQCTPCXRHWYPQ-GXFFZTMASA-N 0 3 249.314 1.001 20 30 BDEDHN C[C@H](N[C@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000902888363 584689890 /nfs/dbraw/zinc/68/98/90/584689890.db2.gz SRORWFBGFXFEMB-GWCFXTLKSA-N 0 3 245.326 1.765 20 30 BDEDHN C#CCCOC(=O)N[C@H](C)CN1CCCCC1 ZINC000859121086 589005353 /nfs/dbraw/zinc/00/53/53/589005353.db2.gz RYFLDVPJMAWRPM-GFCCVEGCSA-N 0 3 238.331 1.610 20 30 BDEDHN CC[C@@H](N[C@@H](CO)COC)c1cccc(C#N)c1 ZINC000902976829 584707619 /nfs/dbraw/zinc/70/76/19/584707619.db2.gz VILNVBDLSOBPDY-UONOGXRCSA-N 0 3 248.326 1.606 20 30 BDEDHN 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C=CCN(C(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000875885429 590175397 /nfs/dbraw/zinc/17/53/97/590175397.db2.gz CLJSBWCKCBCCPC-LBPRGKRZSA-N 0 3 239.363 1.687 20 30 BDEDHN CNCc1ccccc1NC(=O)C#CC1CC1 ZINC000876508994 590204828 /nfs/dbraw/zinc/20/48/28/590204828.db2.gz DOZUJYFDQWHPOS-UHFFFAOYSA-N 0 3 228.295 1.758 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C ZINC000876550117 590207369 /nfs/dbraw/zinc/20/73/69/590207369.db2.gz PRSKOJCENDLDLZ-ZJUUUORDSA-N 0 3 230.739 1.857 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCSC ZINC000876577541 590218128 /nfs/dbraw/zinc/21/81/28/590218128.db2.gz CZBFAQJVWIAGGE-MRVPVSSYSA-N 0 3 236.768 1.326 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C ZINC000876594976 590219856 /nfs/dbraw/zinc/21/98/56/590219856.db2.gz USGFDZRUOMHCJC-XVYDVKMFSA-N 0 3 216.712 1.229 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C ZINC000876594978 590219875 /nfs/dbraw/zinc/21/98/75/590219875.db2.gz USGFDZRUOMHCJC-YEPSODPASA-N 0 3 216.712 1.229 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(F)(F)F ZINC000876597883 590220360 /nfs/dbraw/zinc/22/03/60/590220360.db2.gz GMPXMJBMOKPFLP-RXMQYKEDSA-N 0 3 230.617 1.135 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)CC ZINC000876607967 590221375 /nfs/dbraw/zinc/22/13/75/590221375.db2.gz VVKCPHNVWYNZQX-IUCAKERBSA-N 0 3 218.728 1.713 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000876643409 590223042 /nfs/dbraw/zinc/22/30/42/590223042.db2.gz XSYLDBOGFKFCAV-VHSXEESVSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H](C)CC ZINC000876655380 590226446 /nfs/dbraw/zinc/22/64/46/590226446.db2.gz IOJGMVDUOZZEQS-SCZZXKLOSA-N 0 3 232.755 1.961 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCSC[C@H]1C ZINC000876660228 590227197 /nfs/dbraw/zinc/22/71/97/590227197.db2.gz AEZQPOCHINFHCF-BDAKNGLRSA-N 0 3 248.779 1.420 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC1CC(C)C1 ZINC000876669358 590228539 /nfs/dbraw/zinc/22/85/39/590228539.db2.gz JTXXQFLMJSCIRS-DMBGQZSHSA-N 0 3 216.712 1.371 20 30 BDEDHN C=CC[C@H](C)NC(=O)[C@H](N)CC(=C)Cl ZINC000876670747 590228664 /nfs/dbraw/zinc/22/86/64/590228664.db2.gz GLMVCHWONMPURH-DTWKUNHWSA-N 0 3 216.712 1.537 20 30 BDEDHN Cc1cccc(O)c1CN1CCN(CC#N)CC1 ZINC000876677501 590229940 /nfs/dbraw/zinc/22/99/40/590229940.db2.gz PNFKFBGMTACDGQ-UHFFFAOYSA-N 0 3 245.326 1.342 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000876704869 590230531 /nfs/dbraw/zinc/23/05/31/590230531.db2.gz SPNBEXGZQAKDMD-MNOVXSKESA-N 0 3 244.766 1.961 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccnc1 ZINC000876707320 590232400 /nfs/dbraw/zinc/23/24/00/590232400.db2.gz BEMXKBQOPIPYDH-JTQLQIEISA-N 0 3 239.706 1.168 20 30 BDEDHN C#CCN(CC#CC)C[C@H](C)CCC#N ZINC000876748630 590237465 /nfs/dbraw/zinc/23/74/65/590237465.db2.gz CCVAUOKSMGEWAT-CYBMUJFWSA-N 0 3 202.301 1.885 20 30 BDEDHN C=CC[C@@H](NC(=O)[C@H](C)NCC)c1ccncc1 ZINC000876765809 590239485 /nfs/dbraw/zinc/23/94/85/590239485.db2.gz YHTPCHAPQLUFIP-WCQYABFASA-N 0 3 247.342 1.813 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccco1 ZINC000876787909 590241013 /nfs/dbraw/zinc/24/10/13/590241013.db2.gz WKTFTPYBDTVCLH-JTQLQIEISA-N 0 3 242.706 1.708 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000876806762 590242628 /nfs/dbraw/zinc/24/26/28/590242628.db2.gz SUVGNDXQCDGEPC-UTLUCORTSA-N 0 3 246.738 1.092 20 30 BDEDHN C#CCCCCCCN1CC[C@H](NC(N)=O)C1 ZINC000876815576 590245753 /nfs/dbraw/zinc/24/57/53/590245753.db2.gz AWBMAERCCUIHEL-LBPRGKRZSA-N 0 3 237.347 1.313 20 30 BDEDHN C=CCN(C)C(=O)[C@@H](N)CC(=C)Cl ZINC000876843235 590248885 /nfs/dbraw/zinc/24/88/85/590248885.db2.gz RFAPXPFPYYKEKY-QMMMGPOBSA-N 0 3 202.685 1.101 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000876882518 590253067 /nfs/dbraw/zinc/25/30/67/590253067.db2.gz KDFREDYDODFWQN-BBBLOLIVSA-N 0 3 246.738 1.140 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)C1CC1 ZINC000876898674 590255737 /nfs/dbraw/zinc/25/57/37/590255737.db2.gz PAKDWVIDZDAXLA-SNVBAGLBSA-N 0 3 230.739 1.857 20 30 BDEDHN N[C@H]1Cc2ccccc2N(C(=O)C#CC2CC2)C1 ZINC000876925774 590257911 /nfs/dbraw/zinc/25/79/11/590257911.db2.gz PWFMRJNQHYFRKZ-ZDUSSCGKSA-N 0 3 240.306 1.316 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C=CCC1 ZINC000876960622 590261355 /nfs/dbraw/zinc/26/13/55/590261355.db2.gz IPEQGCNOYOQLNL-RKDXNWHRSA-N 0 3 214.696 1.291 20 30 BDEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)nn1 ZINC000877130573 590290016 /nfs/dbraw/zinc/29/00/16/590290016.db2.gz MTESMKXSBLHFSP-SECBINFHSA-N 0 3 241.722 1.404 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(F)CC1 ZINC000877203610 590300705 /nfs/dbraw/zinc/30/07/05/590300705.db2.gz HXWYTBBHQJXMSP-VIFPVBQESA-N 0 3 248.729 1.807 20 30 BDEDHN CN(CCc1cccc(C#N)c1)C(=O)C1(N)CC1 ZINC000877223357 590301024 /nfs/dbraw/zinc/30/10/24/590301024.db2.gz FSCPTXJVOZVWNQ-UHFFFAOYSA-N 0 3 243.310 1.050 20 30 BDEDHN C=CCCN(C)Cc1cnc2c(cnn2C)c1 ZINC000877464193 590332956 /nfs/dbraw/zinc/33/29/56/590332956.db2.gz HWCYZCKCBUNORL-UHFFFAOYSA-N 0 3 230.315 1.976 20 30 BDEDHN C#C[C@H](N[C@H](C)Cc1cnccn1)C(C)C ZINC000877513112 590341784 /nfs/dbraw/zinc/34/17/84/590341784.db2.gz LGPPCHPVWIVJOS-YPMHNXCESA-N 0 3 217.316 1.655 20 30 BDEDHN C#C[C@@H](NCc1ccc(=O)[nH]c1)C(C)C ZINC000877513087 590343703 /nfs/dbraw/zinc/34/37/03/590343703.db2.gz KUVRIEZWUYIHNY-LLVKDONJSA-N 0 3 204.273 1.535 20 30 BDEDHN C#C[C@@H](NCc1cc(C(=O)OC)c(C)[nH]1)C(C)C ZINC000877513430 590345189 /nfs/dbraw/zinc/34/51/89/590345189.db2.gz VUWVQWBKPAKNBD-CYBMUJFWSA-N 0 3 248.326 1.857 20 30 BDEDHN C#CCCCCCCN1CCOC[C@@H](O)C1 ZINC000877562163 590359559 /nfs/dbraw/zinc/35/95/59/590359559.db2.gz VYWGCRJJFVUFAI-ZDUSSCGKSA-N 0 3 225.332 1.263 20 30 BDEDHN C[C@H](CC1(C#N)CCOCC1)NC1CSC1 ZINC000877633554 590379117 /nfs/dbraw/zinc/37/91/17/590379117.db2.gz AXLDXTLPGGHMJI-SNVBAGLBSA-N 0 3 240.372 1.790 20 30 BDEDHN C#CC[C@@H](COC)N[C@@H](C)Cc1cnccn1 ZINC000877661365 590387345 /nfs/dbraw/zinc/38/73/45/590387345.db2.gz APARLVFAHUDMCZ-RYUDHWBXSA-N 0 3 233.315 1.036 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@H](C)C1 ZINC000877935539 590452288 /nfs/dbraw/zinc/45/22/88/590452288.db2.gz TWQVKEYSDLEZHA-QWRGUYRKSA-N 0 3 211.305 1.836 20 30 BDEDHN C=CC[C@H](C)N1CCCN(C(=O)CC)CC1 ZINC000877983972 590465969 /nfs/dbraw/zinc/46/59/69/590465969.db2.gz YCJSKFFRVAQBLZ-LBPRGKRZSA-N 0 3 224.348 1.895 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](C)[C@@H]1C ZINC000878164920 590512415 /nfs/dbraw/zinc/51/24/15/590512415.db2.gz PIRBEMMEFFIFJV-GARJFASQSA-N 0 3 211.305 1.834 20 30 BDEDHN C#CCN(CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000878167044 590514140 /nfs/dbraw/zinc/51/41/40/590514140.db2.gz MMBCLYVMGVEMJY-UHFFFAOYSA-N 0 3 236.275 1.055 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](CC)C1 ZINC000878183003 590517672 /nfs/dbraw/zinc/51/76/72/590517672.db2.gz CBCKYXVKMHFNKS-WDEREUQCSA-N 0 3 211.305 1.836 20 30 BDEDHN C#CCN(C[C@H]1CCc2ncnn21)C1CCCC1 ZINC000878185698 590518776 /nfs/dbraw/zinc/51/87/76/590518776.db2.gz MJNBQKHRFADIOO-CYBMUJFWSA-N 0 3 244.342 1.643 20 30 BDEDHN C=CC[C@H](C)N1CCSC[C@@H]1CC(=O)OC ZINC000878194551 590520573 /nfs/dbraw/zinc/52/05/73/590520573.db2.gz ZSWBGOVFAMNWPO-QWRGUYRKSA-N 0 3 243.372 1.932 20 30 BDEDHN C=CC[C@@H](C)N1CCSC[C@@H]1CC(=O)OC ZINC000878194550 590520782 /nfs/dbraw/zinc/52/07/82/590520782.db2.gz ZSWBGOVFAMNWPO-MNOVXSKESA-N 0 3 243.372 1.932 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H]1C[C@H](C)O ZINC000878294832 590536157 /nfs/dbraw/zinc/53/61/57/590536157.db2.gz RPRXCDXMZSKWDB-QJPTWQEYSA-N 0 3 241.331 1.339 20 30 BDEDHN C#CCCCCCN(C)[C@@H]1CCNC1=O ZINC000878306707 590539565 /nfs/dbraw/zinc/53/95/65/590539565.db2.gz GBXDGGMXDDCPRJ-LLVKDONJSA-N 0 3 208.305 1.000 20 30 BDEDHN C=CC[C@@H](C)N1CCN(CCC#N)CC1 ZINC000878311977 590540976 /nfs/dbraw/zinc/54/09/76/590540976.db2.gz CZEOAAMHFWBKNW-GFCCVEGCSA-N 0 3 207.321 1.482 20 30 BDEDHN C#CCN(C[C@@H](O)CC1(O)CCCC1)C1CC1 ZINC000878434943 590567115 /nfs/dbraw/zinc/56/71/15/590567115.db2.gz XIUVDQWVOMLLRQ-ZDUSSCGKSA-N 0 3 237.343 1.140 20 30 BDEDHN C#CCCCCCN1CCN(CCO)[C@H](C)C1 ZINC000878464647 590568350 /nfs/dbraw/zinc/56/83/50/590568350.db2.gz CVAQUAGMKPJYMM-CQSZACIVSA-N 0 3 238.375 1.178 20 30 BDEDHN C#C[C@H](NCC[C@H](O)C(C)C)[C@H]1CCCO1 ZINC000878452887 590569174 /nfs/dbraw/zinc/56/91/74/590569174.db2.gz DQEHWVJTROTJQQ-RWMBFGLXSA-N 0 3 225.332 1.164 20 30 BDEDHN C#CCCCCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000878467176 590572639 /nfs/dbraw/zinc/57/26/39/590572639.db2.gz SRUUAMUBTIRJBT-OLZOCXBDSA-N 0 3 236.359 1.766 20 30 BDEDHN C#C[C@H](C)N(C)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878516257 590584759 /nfs/dbraw/zinc/58/47/59/590584759.db2.gz CTGDFBAAJOREEY-CFVMTHIKSA-N 0 3 247.338 1.425 20 30 BDEDHN CC#CCN(C)CCCOC(F)(F)F ZINC000878656003 590603148 /nfs/dbraw/zinc/60/31/48/590603148.db2.gz FHVFBLWJLJSWIB-UHFFFAOYSA-N 0 3 209.211 1.868 20 30 BDEDHN CC#CCN(C)C[C@H](O)CC1(CO)CCCC1 ZINC000878656694 590603532 /nfs/dbraw/zinc/60/35/32/590603532.db2.gz WGDGUKKEGMSKJB-CYBMUJFWSA-N 0 3 239.359 1.245 20 30 BDEDHN C#CCCCCCN1CC[C@](O)(C(F)F)C1 ZINC000878670263 590606645 /nfs/dbraw/zinc/60/66/45/590606645.db2.gz SWDZSFRMXFKIKC-GFCCVEGCSA-N 0 3 231.286 1.882 20 30 BDEDHN C#CCN1CCC[C@H](c2cccnc2)C1 ZINC000878756480 590618955 /nfs/dbraw/zinc/61/89/55/590618955.db2.gz UIVLWIDWJREVGP-ZDUSSCGKSA-N 0 3 200.285 1.894 20 30 BDEDHN C#CC[C@H]1CCCN([C@H](CC=C)C(=O)OC)C1 ZINC000878761382 590619364 /nfs/dbraw/zinc/61/93/64/590619364.db2.gz PVSMLXCKKOCWFW-QWHCGFSZSA-N 0 3 235.327 1.839 20 30 BDEDHN C#CCCC[N@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000878795382 590624205 /nfs/dbraw/zinc/62/42/05/590624205.db2.gz OVUONZCABJWPOB-SNVBAGLBSA-N 0 3 247.298 1.091 20 30 BDEDHN C#CCCC[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000878795382 590624206 /nfs/dbraw/zinc/62/42/06/590624206.db2.gz OVUONZCABJWPOB-SNVBAGLBSA-N 0 3 247.298 1.091 20 30 BDEDHN C#CCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000878871403 590636496 /nfs/dbraw/zinc/63/64/96/590636496.db2.gz KIRDZYRJKONISA-GFCCVEGCSA-N 0 3 249.358 1.483 20 30 BDEDHN CC(C)(O)C[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000878886156 590640075 /nfs/dbraw/zinc/64/00/75/590640075.db2.gz BJBJNMFLYBRGPF-VXGBXAGGSA-N 0 3 240.347 1.134 20 30 BDEDHN C#CCCCN1CCC=C(c2cnn(C)c2)C1 ZINC000878907993 590645703 /nfs/dbraw/zinc/64/57/03/590645703.db2.gz RNFIPVCIQFFEQB-UHFFFAOYSA-N 0 3 229.327 1.923 20 30 BDEDHN CCC#C[C@H](C)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879042746 590685611 /nfs/dbraw/zinc/68/56/11/590685611.db2.gz VWAYSCWCBPJBRR-JQWIXIFHSA-N 0 3 240.322 1.324 20 30 BDEDHN C#CCOCCN1C[C@@H](OC)CC[C@@H]1C ZINC000879324682 590728371 /nfs/dbraw/zinc/72/83/71/590728371.db2.gz DQNGKUJIRUQUSW-RYUDHWBXSA-N 0 3 211.305 1.136 20 30 BDEDHN Cc1[nH]ncc1CN(C)C[C@H](C#N)CCC#N ZINC000879185965 590710577 /nfs/dbraw/zinc/71/05/77/590710577.db2.gz VFCNJDQEMSXPST-NSHDSACASA-N 0 3 231.303 1.593 20 30 BDEDHN C#CCOCCN1C[C@@H](OC)CC[C@H]1C ZINC000879324580 590745034 /nfs/dbraw/zinc/74/50/34/590745034.db2.gz DQNGKUJIRUQUSW-NEPJUHHUSA-N 0 3 211.305 1.136 20 30 BDEDHN C=CC(C)(C)CC(=O)NCC1=CCN(C)CC1 ZINC000879388736 590760111 /nfs/dbraw/zinc/76/01/11/590760111.db2.gz 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COC(=O)C1(C#N)CCN(CCC2CC2)CC1 ZINC000831691916 981167971 /nfs/dbraw/zinc/16/79/71/981167971.db2.gz YXLVQZXBOWHJDA-UHFFFAOYSA-N 0 3 236.315 1.565 20 30 BDEDHN C=CC[C@@H](CO)NCc1cccnc1N(C)C ZINC001349762246 981719848 /nfs/dbraw/zinc/71/98/48/981719848.db2.gz WMDAZRDSAWEESM-LBPRGKRZSA-N 0 3 235.331 1.174 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(F)c(OC)c1 ZINC001349788047 981738118 /nfs/dbraw/zinc/73/81/18/981738118.db2.gz QDMBUQKVZBHVIV-NSHDSACASA-N 0 3 237.274 1.308 20 30 BDEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1C=CCCC1 ZINC001349821886 981770275 /nfs/dbraw/zinc/77/02/75/981770275.db2.gz AUCOCTSBEXSSCC-NWDGAFQWSA-N 0 3 235.331 1.623 20 30 BDEDHN C=CCCCN1CCCN(C(=O)C(F)F)CC1 ZINC001194606609 981840172 /nfs/dbraw/zinc/84/01/72/981840172.db2.gz SMUNJGZHOVRYND-UHFFFAOYSA-N 0 3 246.301 1.752 20 30 BDEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(O)c1 ZINC000716948183 982032603 /nfs/dbraw/zinc/03/26/03/982032603.db2.gz PIFATUZULQWTTR-LBPRGKRZSA-N 0 3 249.310 1.529 20 30 BDEDHN CC[C@]1(CO)CCCN1Cc1cncc(C#N)c1 ZINC001351375103 982301668 /nfs/dbraw/zinc/30/16/68/982301668.db2.gz GJIOGZZGCDCCCB-CQSZACIVSA-N 0 3 245.326 1.690 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C=CCCC1 ZINC001352848711 982597429 /nfs/dbraw/zinc/59/74/29/982597429.db2.gz CEJYIPGTTUEXRD-ZJUUUORDSA-N 0 3 228.723 1.681 20 30 BDEDHN C#CCNCCN(CC)C(=O)C1CCC=CCC1 ZINC001273759573 982654004 /nfs/dbraw/zinc/65/40/04/982654004.db2.gz QYZHTHRHXDUNAW-UHFFFAOYSA-N 0 3 248.370 1.804 20 30 BDEDHN CCn1ccc(CNCCCCC#N)n1 ZINC001200268092 982774395 /nfs/dbraw/zinc/77/43/95/982774395.db2.gz MDQWILJCOVWMFO-UHFFFAOYSA-N 0 3 206.293 1.686 20 30 BDEDHN C#CCOC[C@@H](O)CN[C@H](CC)c1ccccn1 ZINC001251887743 982933801 /nfs/dbraw/zinc/93/38/01/982933801.db2.gz IIFRVPYTBYRUTN-QWHCGFSZSA-N 0 3 248.326 1.133 20 30 BDEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001354178035 983185637 /nfs/dbraw/zinc/18/56/37/983185637.db2.gz ABLBMXQRIHAVDG-KKOKHZNYSA-N 0 3 238.331 1.106 20 30 BDEDHN C=CCN(C)C[C@@H]1CCCCN1C(C)=O ZINC001489315752 983711340 /nfs/dbraw/zinc/71/13/40/983711340.db2.gz BZHZZNTZKUVOSJ-LBPRGKRZSA-N 0 3 210.321 1.505 20 30 BDEDHN CCCC[C@H](O)CNCc1ccc(C#N)o1 ZINC001252119314 983706978 /nfs/dbraw/zinc/70/69/78/983706978.db2.gz XCZQQBKDPMXZHF-JTQLQIEISA-N 0 3 222.288 1.792 20 30 BDEDHN C=CCN1CCC(N(CCC)C(C)=O)CC1 ZINC001490607748 983736274 /nfs/dbraw/zinc/73/62/74/983736274.db2.gz NNBHNNYQXWRSLJ-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN Cc1cc(C#N)ccc1-c1cc(CN)ncn1 ZINC001242470386 983795705 /nfs/dbraw/zinc/79/57/05/983795705.db2.gz LDELTEBAVMMRLK-UHFFFAOYSA-N 0 3 224.267 1.782 20 30 BDEDHN C=C[C@](C)(O)CN[C@@H]1Cc2ccccc2NC1=O ZINC001252571273 983827728 /nfs/dbraw/zinc/82/77/28/983827728.db2.gz GUZCSSRKLDLORA-OCCSQVGLSA-N 0 3 246.310 1.076 20 30 BDEDHN C=C[C@](C)(O)CN[C@@H](C)C(=O)CCCC ZINC001252575898 983830748 /nfs/dbraw/zinc/83/07/48/983830748.db2.gz FPAKYVXGUBQPAN-JQWIXIFHSA-N 0 3 213.321 1.661 20 30 BDEDHN C=CCC[C@@H](O)CNC1(c2ccccn2)CC1 ZINC001252615738 983850476 /nfs/dbraw/zinc/85/04/76/983850476.db2.gz DPSXLSOKXHBDOT-GFCCVEGCSA-N 0 3 232.327 1.987 20 30 BDEDHN C=CCCCCCC[C@@H](O)CNC1COC1 ZINC001253228942 984045290 /nfs/dbraw/zinc/04/52/90/984045290.db2.gz ZQBRCNFCVLFCAI-CYBMUJFWSA-N 0 3 227.348 1.862 20 30 BDEDHN C=C(C)C[C@@H](N)C(=O)N[C@H](C)C(F)F ZINC001574066974 984055054 /nfs/dbraw/zinc/05/50/54/984055054.db2.gz DZSHIHXXBPWVOW-RNFRBKRXSA-N 0 3 206.236 1.050 20 30 BDEDHN N#Cc1ccccc1-c1ncnc2c1CCNC2 ZINC001242711957 984062036 /nfs/dbraw/zinc/06/20/36/984062036.db2.gz DWVNSMYYUXLYAB-UHFFFAOYSA-N 0 3 236.278 1.661 20 30 BDEDHN CC#CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001574973441 984123094 /nfs/dbraw/zinc/12/30/94/984123094.db2.gz VPDCXXKFHLJFFH-MELADBBJSA-N 0 3 248.370 1.812 20 30 BDEDHN Cc1cc(-c2cc(CN)ncn2)ccc1C#N ZINC001242763100 984134701 /nfs/dbraw/zinc/13/47/01/984134701.db2.gz FPNUAOONOVHHGM-UHFFFAOYSA-N 0 3 224.267 1.782 20 30 BDEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCO1 ZINC001154407583 984307098 /nfs/dbraw/zinc/30/70/98/984307098.db2.gz VUTYOSLSXWWMLV-JTQLQIEISA-N 0 3 246.738 1.014 20 30 BDEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCO1 ZINC001154407586 984307606 /nfs/dbraw/zinc/30/76/06/984307606.db2.gz VUTYOSLSXWWMLV-SNVBAGLBSA-N 0 3 246.738 1.014 20 30 BDEDHN Cc1ccc([N+](=O)[O-])c(NCC#CCN(C)C)c1 ZINC000717629906 984335700 /nfs/dbraw/zinc/33/57/00/984335700.db2.gz SACCQUJMIDMIJA-UHFFFAOYSA-N 0 3 247.298 1.880 20 30 BDEDHN C#C[C@H](CO)NC1CC(c2ccccc2)C1 ZINC000718201504 984413774 /nfs/dbraw/zinc/41/37/74/984413774.db2.gz LZLIATJXOIFUHZ-ROKHWSDSSA-N 0 3 215.296 1.516 20 30 BDEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC1(F)F ZINC001275581639 984613977 /nfs/dbraw/zinc/61/39/77/984613977.db2.gz IBRMILQBMYFSBB-ZJUUUORDSA-N 0 3 246.301 1.654 20 30 BDEDHN N#CCOc1ccc(-c2cc(CN)ncn2)cc1 ZINC001243586390 985142379 /nfs/dbraw/zinc/14/23/79/985142379.db2.gz CXMRXWNZTJSAIZ-UHFFFAOYSA-N 0 3 240.266 1.505 20 30 BDEDHN CCCCCCCN1CCN(C)[C@@H](CO)C1 ZINC000687594722 985325914 /nfs/dbraw/zinc/32/59/14/985325914.db2.gz CFWPNQPQEVCUFQ-CYBMUJFWSA-N 0 3 228.380 1.565 20 30 BDEDHN CCC#C[C@@H](C)N1CC[C@@H](N2CCCC2=O)C1 ZINC001459890425 985656961 /nfs/dbraw/zinc/65/69/61/985656961.db2.gz CEICDSJNLBKXSL-CHWSQXEVSA-N 0 3 234.343 1.485 20 30 BDEDHN C#CCN1CCN([C@@H](C)CCSC)CC1 ZINC001258226567 985679100 /nfs/dbraw/zinc/67/91/00/985679100.db2.gz NZGCYGVYPMPWGR-LBPRGKRZSA-N 0 3 226.389 1.379 20 30 BDEDHN COC(=O)CC[C@H](C)N1CCC(C#N)CC1 ZINC001258365818 985846895 /nfs/dbraw/zinc/84/68/95/985846895.db2.gz DZHLGDLKINQQGU-JTQLQIEISA-N 0 3 224.304 1.564 20 30 BDEDHN C=CCCC(=O)N[C@H](C)C1CN(CC(=C)C)C1 ZINC001276351158 986050941 /nfs/dbraw/zinc/05/09/41/986050941.db2.gz RJQWOMBRYLQQAW-GFCCVEGCSA-N 0 3 236.359 1.965 20 30 BDEDHN C=C[C@@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001253580893 986142355 /nfs/dbraw/zinc/14/23/55/986142355.db2.gz AOHGJMXSLRVXBK-GFCCVEGCSA-N 0 3 221.300 1.761 20 30 BDEDHN C=C[C@@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001253580893 986142371 /nfs/dbraw/zinc/14/23/71/986142371.db2.gz AOHGJMXSLRVXBK-GFCCVEGCSA-N 0 3 221.300 1.761 20 30 BDEDHN C=C[C@H](O)CNCc1cc(F)c(F)c(F)c1 ZINC001253597696 986223848 /nfs/dbraw/zinc/22/38/48/986223848.db2.gz HVRHPQSXHLSNIR-QMMMGPOBSA-N 0 3 231.217 1.740 20 30 BDEDHN C=C[C@H](O)CNCc1cncnc1C(C)(C)F ZINC001253609552 986275470 /nfs/dbraw/zinc/27/54/70/986275470.db2.gz VKTLIDWYXXWISY-JTQLQIEISA-N 0 3 239.294 1.318 20 30 BDEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC)C2 ZINC001096694702 986475462 /nfs/dbraw/zinc/47/54/62/986475462.db2.gz SZEIVOCLINFQKR-UTUOFQBUSA-N 0 3 220.316 1.141 20 30 BDEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001096716909 986490208 /nfs/dbraw/zinc/49/02/08/986490208.db2.gz WGVYHVDAXWBTPP-MCIONIFRSA-N 0 3 246.354 1.531 20 30 BDEDHN N#Cc1ccc(CNC(=O)[C@H](N)CC2CC2)s1 ZINC001580065397 986506355 /nfs/dbraw/zinc/50/63/55/986506355.db2.gz FUFKBQJXEBALGO-LLVKDONJSA-N 0 3 249.339 1.363 20 30 BDEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001097658081 986628663 /nfs/dbraw/zinc/62/86/63/986628663.db2.gz RSXRBHNBSXIXSM-VJTDZRGJSA-N 0 3 248.370 1.940 20 30 BDEDHN N#C[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC001254644692 986695277 /nfs/dbraw/zinc/69/52/77/986695277.db2.gz UZLXZPUULCKPTE-KOLCDFICSA-N 0 3 232.283 1.880 20 30 BDEDHN N#C[C@@H]1CC[C@H](Nc2ccc(CN)nc2)C1 ZINC001254646199 986696077 /nfs/dbraw/zinc/69/60/77/986696077.db2.gz LHPWZBIJGGYXJH-ZJUUUORDSA-N 0 3 216.288 1.644 20 30 BDEDHN CN(C)C(=O)C1(N[C@@H]2CC[C@H](C#N)C2)CCC1 ZINC001254655674 986708021 /nfs/dbraw/zinc/70/80/21/986708021.db2.gz FIBSRQDJFVRCDP-WDEREUQCSA-N 0 3 235.331 1.279 20 30 BDEDHN CC[C@@H](CC#N)NC[C@@H](C)CNC(C)=O ZINC001255159239 986833646 /nfs/dbraw/zinc/83/36/46/986833646.db2.gz RZVNLNQGWXJJOF-ONGXEEELSA-N 0 3 211.309 1.040 20 30 BDEDHN CNCc1cc(-c2ccc(C#N)cc2)ncn1 ZINC001245495471 986873739 /nfs/dbraw/zinc/87/37/39/986873739.db2.gz QFYDCQYPNFUMQK-UHFFFAOYSA-N 0 3 224.267 1.735 20 30 BDEDHN C[C@H](CC(C)(C)C#N)NC[C@H](C)S(C)(=O)=O ZINC000697623406 987362133 /nfs/dbraw/zinc/36/21/33/987362133.db2.gz VFHHDRFUEZTTPX-ZJUUUORDSA-N 0 3 246.376 1.337 20 30 BDEDHN N#CCNC(=O)CN1CCC[C@H](C2CCCC2)C1 ZINC001473888230 987603568 /nfs/dbraw/zinc/60/35/68/987603568.db2.gz USMVNJGLTCQKQS-ZDUSSCGKSA-N 0 3 249.358 1.528 20 30 BDEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)C)C1 ZINC001480377232 987965700 /nfs/dbraw/zinc/96/57/00/987965700.db2.gz SIKHGIXLKLSORY-OLZOCXBDSA-N 0 3 236.359 1.492 20 30 BDEDHN C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001321790301 988000435 /nfs/dbraw/zinc/00/04/35/988000435.db2.gz PTDDDQSBTLXCOD-NSHDSACASA-N 0 3 248.326 1.676 20 30 BDEDHN CC#CCN[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001480533902 988003763 /nfs/dbraw/zinc/00/37/63/988003763.db2.gz MIPHRRYWLPBPTJ-IPYPFGDCSA-N 0 3 248.370 1.684 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001480838825 988035323 /nfs/dbraw/zinc/03/53/23/988035323.db2.gz AMHDWGANDGUHEL-WDEREUQCSA-N 0 3 210.321 1.267 20 30 BDEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)OCC ZINC001480843756 988034580 /nfs/dbraw/zinc/03/45/80/988034580.db2.gz QMROFFINOSXCHE-LLVKDONJSA-N 0 3 228.336 1.036 20 30 BDEDHN C#CCN(CCNC(=O)NC(C)C)CC1CC1 ZINC001118131200 988036707 /nfs/dbraw/zinc/03/67/07/988036707.db2.gz ROVBJLLMMXREOT-UHFFFAOYSA-N 0 3 237.347 1.039 20 30 BDEDHN C#CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC001118135733 988041429 /nfs/dbraw/zinc/04/14/29/988041429.db2.gz RRMMAXKLHCZXOJ-CYBMUJFWSA-N 0 3 232.327 1.095 20 30 BDEDHN C[C@H](CCCC#N)N1CCC(F)(F)[C@@H](N)C1 ZINC001246600441 988204522 /nfs/dbraw/zinc/20/45/22/988204522.db2.gz SNDXFHUFYOBTIW-ZJUUUORDSA-N 0 3 231.290 1.737 20 30 BDEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCCF ZINC001496138477 988290619 /nfs/dbraw/zinc/29/06/19/988290619.db2.gz JJHQPJRJHWYQOH-NWDGAFQWSA-N 0 3 244.354 1.995 20 30 BDEDHN C#CCCN(C)CCN(C)C(=O)CCC=C ZINC001496671958 988317590 /nfs/dbraw/zinc/31/75/90/988317590.db2.gz LTIIVHXUJHBGKC-UHFFFAOYSA-N 0 3 222.332 1.366 20 30 BDEDHN C#CCNCCN(CC)C(=O)C[C@H](C)C1CC1 ZINC001497500533 988382901 /nfs/dbraw/zinc/38/29/01/988382901.db2.gz HURGBWKKYZCKBU-LBPRGKRZSA-N 0 3 236.359 1.494 20 30 BDEDHN C[C@@H](O)[C@H]1CCCN1Cc1ccc(C#N)s1 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C[C@H](CCC#N)N1CCN(C)C(C)(C)C1 ZINC000593985513 347978848 /nfs/dbraw/zinc/97/88/48/347978848.db2.gz BFZINMDYCQCHOQ-LLVKDONJSA-N 0 3 209.337 1.705 20 30 BDEDHN CO[C@@](C)(CO)CNCc1cc(C#N)cs1 ZINC000594508982 348064619 /nfs/dbraw/zinc/06/46/19/348064619.db2.gz GDDBPEBYKYJPND-LLVKDONJSA-N 0 3 240.328 1.107 20 30 BDEDHN CN(CC1CC1)C(=O)[C@H](N)CCCCC#N ZINC000594428544 348044612 /nfs/dbraw/zinc/04/46/12/348044612.db2.gz MTHQCEVZFMTMOE-LLVKDONJSA-N 0 3 223.320 1.266 20 30 BDEDHN CN(CC(C)(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000594429622 348044796 /nfs/dbraw/zinc/04/47/96/348044796.db2.gz UXFOBCHRYFTHQK-NSHDSACASA-N 0 3 239.363 1.902 20 30 BDEDHN CCC1(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594434668 348046878 /nfs/dbraw/zinc/04/68/78/348046878.db2.gz RAUACEMBVGCPFF-NSHDSACASA-N 0 3 237.347 1.704 20 30 BDEDHN COC[C@H](CC(C)(C)C)NC(=O)C(C)C#N ZINC000594403044 348048176 /nfs/dbraw/zinc/04/81/76/348048176.db2.gz WMXCFEYULGQQOG-UWVGGRQHSA-N 0 3 226.320 1.713 20 30 BDEDHN C[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425521 348052241 /nfs/dbraw/zinc/05/22/41/348052241.db2.gz KRMNGGCVSHIUBV-RYUDHWBXSA-N 0 3 237.347 1.799 20 30 BDEDHN CC1(C)CNCCN1C(=O)CCCCC#N ZINC000594426679 348052765 /nfs/dbraw/zinc/05/27/65/348052765.db2.gz QWTIBUPZNJQPLS-UHFFFAOYSA-N 0 3 223.320 1.281 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(O)cc1 ZINC000594437449 348053881 /nfs/dbraw/zinc/05/38/81/348053881.db2.gz BYXZABFWBDVOLK-LBPRGKRZSA-N 0 3 247.298 1.742 20 30 BDEDHN C=C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594442947 348055030 /nfs/dbraw/zinc/05/50/30/348055030.db2.gz DHIUBYWRQBROTH-ZJUUUORDSA-N 0 3 209.293 1.088 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)Nc1cccnc1 ZINC000594446634 348055461 /nfs/dbraw/zinc/05/54/61/348055461.db2.gz VJZVUUNDUYUPED-NSHDSACASA-N 0 3 232.287 1.431 20 30 BDEDHN C[C@@H]1CC[C@@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000594445980 348055544 /nfs/dbraw/zinc/05/55/44/348055544.db2.gz OJDGELOIKMNJFE-IJLUTSLNSA-N 0 3 237.347 1.797 20 30 BDEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)[C@H]1C ZINC000594446396 348055689 /nfs/dbraw/zinc/05/56/89/348055689.db2.gz SHKKCPXGPWYEKC-WOPDTQHZSA-N 0 3 237.347 1.655 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000594447870 348056594 /nfs/dbraw/zinc/05/65/94/348056594.db2.gz WJJNXVDVBYEHFK-ZJUUUORDSA-N 0 3 241.360 1.019 20 30 BDEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccn1 ZINC000594446733 348056704 /nfs/dbraw/zinc/05/67/04/348056704.db2.gz XDPRPOMUBIALMR-SNVBAGLBSA-N 0 3 232.287 1.431 20 30 BDEDHN CC(C)[C@H](N)c1cn(CCCC#N)nn1 ZINC000594648923 348087602 /nfs/dbraw/zinc/08/76/02/348087602.db2.gz FGHFNMSENWMBMU-JTQLQIEISA-N 0 3 207.281 1.238 20 30 BDEDHN CC[C@@H](N)c1cn(CC2(CC#N)CC2)nn1 ZINC000594652790 348090487 /nfs/dbraw/zinc/09/04/87/348090487.db2.gz LQOLOAOGFUDNAT-SECBINFHSA-N 0 3 219.292 1.382 20 30 BDEDHN Cc1c[nH]c(CN[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000594955341 348149111 /nfs/dbraw/zinc/14/91/11/348149111.db2.gz KQTAOISHLIKKAW-QWRGUYRKSA-N 0 3 218.304 1.890 20 30 BDEDHN C=CCCSCCNCc1cnnn1C ZINC000594959752 348150361 /nfs/dbraw/zinc/15/03/61/348150361.db2.gz BSRCGMSCNHXORA-UHFFFAOYSA-N 0 3 226.349 1.214 20 30 BDEDHN C=CCCSCCNC(=O)[C@@H]1NCC1(C)C ZINC000595255924 348203795 /nfs/dbraw/zinc/20/37/95/348203795.db2.gz KGKIFEPKOAOVMC-JTQLQIEISA-N 0 3 242.388 1.410 20 30 BDEDHN CC[C@H](C)CCNC(=O)[C@H](N)CCCCC#N ZINC000595256440 348204080 /nfs/dbraw/zinc/20/40/80/348204080.db2.gz LWPFAKABBDLFHE-NWDGAFQWSA-N 0 3 239.363 1.950 20 30 BDEDHN C[C@@]1(CNC(=O)[C@H](N)CCCC#N)CC1(F)F ZINC000595256714 348204544 /nfs/dbraw/zinc/20/45/44/348204544.db2.gz RASJVYXGDVXTPN-SCZZXKLOSA-N 0 3 245.273 1.169 20 30 BDEDHN C[C@@]1(C#N)CCCN([C@@H]2CCCC[C@H]2O)C1 ZINC000595422737 348245457 /nfs/dbraw/zinc/24/54/57/348245457.db2.gz BTNWHHDDQOCBDN-UPJWGTAASA-N 0 3 222.332 1.916 20 30 BDEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000491692211 362856754 /nfs/dbraw/zinc/85/67/54/362856754.db2.gz IEOOKDDWUCNRRO-QWHCGFSZSA-N 0 3 249.358 1.039 20 30 BDEDHN N#Cc1cnccc1CNC1(CCO)CCCC1 ZINC000595509861 348265770 /nfs/dbraw/zinc/26/57/70/348265770.db2.gz XLLUJJAJFAYLDO-UHFFFAOYSA-N 0 3 245.326 1.738 20 30 BDEDHN CC[C@@H](CC#N)NCCCC(=O)NCC(C)C ZINC000595530781 348273205 /nfs/dbraw/zinc/27/32/05/348273205.db2.gz SZLVHBGJFCFNQF-LBPRGKRZSA-N 0 3 239.363 1.821 20 30 BDEDHN N#Cc1cc(CN[C@H](CO)C2CCC2)ccc1F ZINC000595618388 348290549 /nfs/dbraw/zinc/29/05/49/348290549.db2.gz XRIHHKQVFNOERJ-CQSZACIVSA-N 0 3 248.301 1.948 20 30 BDEDHN CCOCC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595622667 348291333 /nfs/dbraw/zinc/29/13/33/348291333.db2.gz CLTSRXSPINXXGJ-STQMWFEESA-N 0 3 240.347 1.400 20 30 BDEDHN N#CCCCN(CCOCCO)C1CCC1 ZINC000595598600 348294542 /nfs/dbraw/zinc/29/45/42/348294542.db2.gz UCIADZVWJLCNDF-UHFFFAOYSA-N 0 3 226.320 1.154 20 30 BDEDHN CN(C[C@@H]1COCCO1)[C@@H]1CC[C@H](C#N)C1 ZINC000595736968 348318921 /nfs/dbraw/zinc/31/89/21/348318921.db2.gz OKGFPNQVLUSMEX-QJPTWQEYSA-N 0 3 224.304 1.026 20 30 BDEDHN C[C@@H](CCC#N)N(C)C[C@H]1COCCO1 ZINC000595737535 348318943 /nfs/dbraw/zinc/31/89/43/348318943.db2.gz RPKZYSZRHHEZSF-QWRGUYRKSA-N 0 3 212.293 1.026 20 30 BDEDHN C[C@@H]1[C@@H](C)N(CCCC#N)CCN1CCCC#N ZINC000595885106 348388599 /nfs/dbraw/zinc/38/85/99/348388599.db2.gz NDPHVYQWUJKQEO-ZIAGYGMSSA-N 0 3 248.374 1.989 20 30 BDEDHN C=CCC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000273253676 166298446 /nfs/dbraw/zinc/29/84/46/166298446.db2.gz CPVSULAGVNZQPZ-ZYHUDNBSSA-N 0 3 223.320 1.398 20 30 BDEDHN CC[C@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595960642 348405326 /nfs/dbraw/zinc/40/53/26/348405326.db2.gz MOCINNUOKYHTEP-LBPRGKRZSA-N 0 3 245.326 1.647 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000595945631 348411297 /nfs/dbraw/zinc/41/12/97/348411297.db2.gz USCWNDSKEITKHM-SRVKXCTJSA-N 0 3 235.331 1.266 20 30 BDEDHN C[C@@]1(C#N)CCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000595982470 348417487 /nfs/dbraw/zinc/41/74/87/348417487.db2.gz VPLXIVXHEIIHAB-FZMZJTMJSA-N 0 3 249.358 1.527 20 30 BDEDHN C=CCC[C@H](C)NCc1cc(C(N)=O)no1 ZINC000273429027 166300157 /nfs/dbraw/zinc/30/01/57/166300157.db2.gz SUQDAHMWIARGSP-QMMMGPOBSA-N 0 3 223.276 1.218 20 30 BDEDHN CN(C(=O)CCNCCCC#N)c1ccccc1 ZINC000596061771 348435391 /nfs/dbraw/zinc/43/53/91/348435391.db2.gz DVNXTRMRXSTOIB-UHFFFAOYSA-N 0 3 245.326 1.933 20 30 BDEDHN N#CCC[C@H](C#N)CNCC1CCC(O)CC1 ZINC000596064838 348435940 /nfs/dbraw/zinc/43/59/40/348435940.db2.gz ALPFFONTOZLQJE-OTTFEQOBSA-N 0 3 235.331 1.571 20 30 BDEDHN Cc1ccc(C#N)nc1NCCN(C)C1CC1 ZINC000596088364 348443749 /nfs/dbraw/zinc/44/37/49/348443749.db2.gz PJJQGDHSWCSFSV-UHFFFAOYSA-N 0 3 230.315 1.768 20 30 BDEDHN Cc1ccc(C#N)nc1N(C)CCN(C)C ZINC000596152898 348453444 /nfs/dbraw/zinc/45/34/44/348453444.db2.gz RGLDQYGZKJUXAV-UHFFFAOYSA-N 0 3 218.304 1.260 20 30 BDEDHN CC(C)(C)N1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000596335743 348497619 /nfs/dbraw/zinc/49/76/19/348497619.db2.gz HVGRTJFSMIWVBJ-GFCCVEGCSA-N 0 3 244.342 1.660 20 30 BDEDHN CCC[C@H](O)[C@@H](CO)NCc1cccc(C#N)c1 ZINC000419835170 192146787 /nfs/dbraw/zinc/14/67/87/192146787.db2.gz YALXPJBMYDJDRM-KGLIPLIRSA-N 0 3 248.326 1.170 20 30 BDEDHN C[C@H](CC#N)C(=O)N1CCC[C@@H]1CN(C)C ZINC000597092668 348656930 /nfs/dbraw/zinc/65/69/30/348656930.db2.gz PCPUCRIFBJLTNA-GHMZBOCLSA-N 0 3 223.320 1.089 20 30 BDEDHN N#CCC1(CN[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000597117602 348663216 /nfs/dbraw/zinc/66/32/16/348663216.db2.gz PBECAIAZYGDIJI-RYUDHWBXSA-N 0 3 220.316 1.837 20 30 BDEDHN C[C@@H](CC#N)C(=O)N(C)CC1CCN(C)CC1 ZINC000597152289 348665367 /nfs/dbraw/zinc/66/53/67/348665367.db2.gz YUINYJNCHXHDLE-NSHDSACASA-N 0 3 237.347 1.336 20 30 BDEDHN CCCN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597159567 348666468 /nfs/dbraw/zinc/66/64/68/348666468.db2.gz OJKZRHJCKMHBRH-NSHDSACASA-N 0 3 225.336 1.336 20 30 BDEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000597291751 348713102 /nfs/dbraw/zinc/71/31/02/348713102.db2.gz MPXWEVKHVXJJGC-GRYCIOLGSA-N 0 3 237.347 1.335 20 30 BDEDHN C[C@H](CC#N)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000597363289 348723638 /nfs/dbraw/zinc/72/36/38/348723638.db2.gz AHTCAKZJPVJFJU-GMTAPVOTSA-N 0 3 235.331 1.278 20 30 BDEDHN C[C@@]1(C#N)CCN(C[C@H]2CCSC2)C1 ZINC000597230886 348698422 /nfs/dbraw/zinc/69/84/22/348698422.db2.gz JPZIJMFEDBMOLZ-MNOVXSKESA-N 0 3 210.346 1.975 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000184277649 348775136 /nfs/dbraw/zinc/77/51/36/348775136.db2.gz JMQATGVSGNENIR-CYBMUJFWSA-N 0 3 233.311 1.648 20 30 BDEDHN C[C@H](CC#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000597568978 348761611 /nfs/dbraw/zinc/76/16/11/348761611.db2.gz SHLYSRNLBBNECQ-DGCLKSJQSA-N 0 3 249.358 1.669 20 30 BDEDHN CC(C#N)C(=O)N(C)[C@@H](CO)Cc1ccccc1 ZINC000597857983 348828474 /nfs/dbraw/zinc/82/84/74/348828474.db2.gz OREZTKUGDKNVDG-DGCLKSJQSA-N 0 3 246.310 1.208 20 30 BDEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597920990 348844568 /nfs/dbraw/zinc/84/45/68/348844568.db2.gz DLJUWVCVCLRRRY-MNOVXSKESA-N 0 3 237.347 1.525 20 30 BDEDHN CC[C@@H](C#N)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597921036 348845383 /nfs/dbraw/zinc/84/53/83/348845383.db2.gz DWSJZDPDOGOTSZ-WDEREUQCSA-N 0 3 237.347 1.525 20 30 BDEDHN C=CCCSCCNC(=O)CN(C)C(C)C ZINC000597973052 348857528 /nfs/dbraw/zinc/85/75/28/348857528.db2.gz QPGPKNUWNZCQAW-UHFFFAOYSA-N 0 3 244.404 1.752 20 30 BDEDHN COCC1(C2CCC2)CN(C(=O)C(C)C#N)C1 ZINC000598060345 348870308 /nfs/dbraw/zinc/87/03/08/348870308.db2.gz CFDREIUGZONRQO-SNVBAGLBSA-N 0 3 236.315 1.421 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000598212221 348911847 /nfs/dbraw/zinc/91/18/47/348911847.db2.gz JZSYSMDQPJSTKI-AEJSXWLSSA-N 0 3 210.277 1.220 20 30 BDEDHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(C)C#N ZINC000598308127 348928783 /nfs/dbraw/zinc/92/87/83/348928783.db2.gz LYVAXHNYSKCIOC-ADEWGFFLSA-N 0 3 244.294 1.827 20 30 BDEDHN CC[C@@H]1CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598618787 349001649 /nfs/dbraw/zinc/00/16/49/349001649.db2.gz QMMPZVKUPHZGFE-MNOVXSKESA-N 0 3 210.321 1.771 20 30 BDEDHN CC(C)[C@@H]1CN(C(=O)CCCC#N)CCN1 ZINC000598575710 348993820 /nfs/dbraw/zinc/99/38/20/348993820.db2.gz WPIHNTLFBCIIAH-NSHDSACASA-N 0 3 223.320 1.137 20 30 BDEDHN COC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 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/nfs/dbraw/zinc/06/79/13/386067913.db2.gz LQUGRTAOZDKAMD-MNOVXSKESA-N 0 3 224.304 1.420 20 30 BDEDHN C[C@@H]1C[C@@H](C)CN(CCn2cnc(C#N)n2)C1 ZINC000318834505 386072673 /nfs/dbraw/zinc/07/26/73/386072673.db2.gz YBZNNJYWTZHMGM-GHMZBOCLSA-N 0 3 233.319 1.128 20 30 BDEDHN CCN(CC(=O)NC1(C#N)CCC1)CC1CCC1 ZINC000347069950 386215150 /nfs/dbraw/zinc/21/51/50/386215150.db2.gz CKVPUXLJVBYSQA-UHFFFAOYSA-N 0 3 249.358 1.671 20 30 BDEDHN COc1ccc(CNC(=O)C(C)C#N)cc1F ZINC000347075492 386217227 /nfs/dbraw/zinc/21/72/27/386217227.db2.gz SHYZKMZRJOYQBD-MRVPVSSYSA-N 0 3 236.246 1.610 20 30 BDEDHN CC(C#N)C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000347039818 386225367 /nfs/dbraw/zinc/22/53/67/386225367.db2.gz QLBFVAAFROPVDA-MRVPVSSYSA-N 0 3 249.245 1.040 20 30 BDEDHN CC(C)N1CCCC[C@H]1Cn1cnc(C#N)n1 ZINC000339115648 386255208 /nfs/dbraw/zinc/25/52/08/386255208.db2.gz FZJYIJNQLFQYJH-NSHDSACASA-N 0 3 233.319 1.413 20 30 BDEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)o1 ZINC000449431568 386257083 /nfs/dbraw/zinc/25/70/83/386257083.db2.gz YKMVMMQXPWUAIH-GWCFXTLKSA-N 0 3 234.299 1.744 20 30 BDEDHN C=CCOCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425508942 386295800 /nfs/dbraw/zinc/29/58/00/386295800.db2.gz OBHKZDPMCOGGMA-GFCCVEGCSA-N 0 3 236.319 1.118 20 30 BDEDHN C=CCC(C)(C)C(=O)NCC1(N(C)C)CC1 ZINC000416306473 386265788 /nfs/dbraw/zinc/26/57/88/386265788.db2.gz FYEYAFOAESIUCV-UHFFFAOYSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2nn(C)cc21 ZINC000453338307 386448341 /nfs/dbraw/zinc/44/83/41/386448341.db2.gz ASRPROLUGIUINO-YUTCNCBUSA-N 0 3 247.342 1.731 20 30 BDEDHN C[C@@H]1CC[C@@H](O)CN1Cc1cccc(C#N)c1 ZINC000399196139 386412674 /nfs/dbraw/zinc/41/26/74/386412674.db2.gz LSQIHBZEYPTNLN-BXUZGUMPSA-N 0 3 230.311 1.903 20 30 BDEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)NCC ZINC000096953970 386621180 /nfs/dbraw/zinc/62/11/80/386621180.db2.gz FBEZMTOVKIPALH-JTQLQIEISA-N 0 3 241.335 1.119 20 30 BDEDHN C[C@H](CCC#N)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554486 386627273 /nfs/dbraw/zinc/62/72/73/386627273.db2.gz WGEKWVPEBPJFLP-NXEZZACHSA-N 0 3 219.292 1.286 20 30 BDEDHN CC(C)(C#N)CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425554522 386627939 /nfs/dbraw/zinc/62/79/39/386627939.db2.gz WIFNQRDDRILWHF-JTQLQIEISA-N 0 3 233.319 1.534 20 30 BDEDHN C=C(C)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000428112083 386639219 /nfs/dbraw/zinc/63/92/19/386639219.db2.gz XBFKCZYODLSFFQ-GHMZBOCLSA-N 0 3 210.321 1.552 20 30 BDEDHN C=CCC[C@H](CO)N[C@H](C)c1cn[nH]c1 ZINC000320520536 386599360 /nfs/dbraw/zinc/59/93/60/386599360.db2.gz OHRKTTSRRBOTGL-MWLCHTKSSA-N 0 3 209.293 1.387 20 30 BDEDHN COCC#CCN1CC[C@@H](O)C12CCCC2 ZINC000645019950 386679245 /nfs/dbraw/zinc/67/92/45/386679245.db2.gz ANCGHSPVFYWUGE-GFCCVEGCSA-N 0 3 223.316 1.016 20 30 BDEDHN CCN(CC)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330376828 386680008 /nfs/dbraw/zinc/68/00/08/386680008.db2.gz ICXZTWMZLWIDPG-WDEREUQCSA-N 0 3 223.320 1.137 20 30 BDEDHN Cn1cc(CNC[C@@H](O)C(C)(C)C)cc1C#N ZINC000324291119 386722380 /nfs/dbraw/zinc/72/23/80/386722380.db2.gz AIWYUSXYUYRQHH-GFCCVEGCSA-N 0 3 235.331 1.393 20 30 BDEDHN COc1ccc(CNCC[C@@H](C)O)cc1C#N ZINC000087824500 386751672 /nfs/dbraw/zinc/75/16/72/386751672.db2.gz GCLXWBWJJVUFRW-SNVBAGLBSA-N 0 3 234.299 1.427 20 30 BDEDHN CC(C#N)C(=O)NCC1CCSCC1 ZINC000125122345 386757055 /nfs/dbraw/zinc/75/70/55/386757055.db2.gz JADSZNUKDLEAME-MRVPVSSYSA-N 0 3 212.318 1.405 20 30 BDEDHN CCCNC(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000050999545 386758483 /nfs/dbraw/zinc/75/84/83/386758483.db2.gz GLHXJRMJESXCCD-GFCCVEGCSA-N 0 3 237.347 1.528 20 30 BDEDHN C=CCCO[C@@H](C)C(=O)NCCN1CCCC1 ZINC000344823895 386784637 /nfs/dbraw/zinc/78/46/37/386784637.db2.gz ZAKGVVQJSAYWJK-LBPRGKRZSA-N 0 3 240.347 1.180 20 30 BDEDHN CCCN1CCC[C@H]1CNC(=O)C(C)(C)C#N ZINC000330670220 386819475 /nfs/dbraw/zinc/81/94/75/386819475.db2.gz LSLJXXLZKPFJLX-NSHDSACASA-N 0 3 237.347 1.527 20 30 BDEDHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCC[C@H](C#N)C1 ZINC000192992727 386805760 /nfs/dbraw/zinc/80/57/60/386805760.db2.gz 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1.890 20 30 BDEDHN C=CCCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418037735 387066291 /nfs/dbraw/zinc/06/62/91/387066291.db2.gz REDZRGWBVLMKQR-RYUDHWBXSA-N 0 3 239.363 1.735 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)c1cncc(F)c1 ZINC000334963933 387045466 /nfs/dbraw/zinc/04/54/66/387045466.db2.gz JPHOLXLHUYWCNY-JGVFFNPUSA-N 0 3 221.235 1.558 20 30 BDEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)NCC#N)C1CC1 ZINC000066666420 387090544 /nfs/dbraw/zinc/09/05/44/387090544.db2.gz ZQXBSTYJBMJQOL-GHMZBOCLSA-N 0 3 237.347 1.525 20 30 BDEDHN C=CCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418095117 387101885 /nfs/dbraw/zinc/10/18/85/387101885.db2.gz GAEWPHIMWCDUJP-WDEREUQCSA-N 0 3 225.336 1.344 20 30 BDEDHN C=CCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418095114 387102841 /nfs/dbraw/zinc/10/28/41/387102841.db2.gz GAEWPHIMWCDUJP-GHMZBOCLSA-N 0 3 225.336 1.344 20 30 BDEDHN C#CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000575477340 387159896 /nfs/dbraw/zinc/15/98/96/387159896.db2.gz QOMMRZGOQLOPLA-TZMCWYRMSA-N 0 3 242.322 1.256 20 30 BDEDHN C=CC[C@H](CC)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418147386 387169634 /nfs/dbraw/zinc/16/96/34/387169634.db2.gz MCRWPHKYWASDAT-UTUOFQBUSA-N 0 3 239.363 1.733 20 30 BDEDHN COC(=O)CC1CCN([C@H](C)CCC#N)CC1 ZINC000572098854 387234221 /nfs/dbraw/zinc/23/42/21/387234221.db2.gz ZXUODKDFYDEYNZ-LLVKDONJSA-N 0 3 238.331 1.954 20 30 BDEDHN CCN(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000097474327 387248042 /nfs/dbraw/zinc/24/80/42/387248042.db2.gz VWSJPQPNPSJRSO-NSHDSACASA-N 0 3 225.336 1.336 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@@H](C)C(C)C ZINC000392767851 387285385 /nfs/dbraw/zinc/28/53/85/387285385.db2.gz POTDEZSTHNNNQQ-LBPRGKRZSA-N 0 3 224.348 1.350 20 30 BDEDHN CC#CCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189454709 387285867 /nfs/dbraw/zinc/28/58/67/387285867.db2.gz ZFCDMOARQRSCLT-ZDUSSCGKSA-N 0 3 238.375 1.177 20 30 BDEDHN C=C(C)C(C)(C)C(=O)NCC1=CCN(C)CC1 ZINC000424754431 387298925 /nfs/dbraw/zinc/29/89/25/387298925.db2.gz NBRYXZBACICRMJ-UHFFFAOYSA-N 0 3 236.359 1.967 20 30 BDEDHN COc1ccc(CNC[C@H](C)OC)cc1C#N ZINC000191204517 387354374 /nfs/dbraw/zinc/35/43/74/387354374.db2.gz BDICQVGHOGNHOD-JTQLQIEISA-N 0 3 234.299 1.691 20 30 BDEDHN COC[C@@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191259465 387363714 /nfs/dbraw/zinc/36/37/14/387363714.db2.gz IGRDEXFNFDDYQF-SNVBAGLBSA-N 0 3 221.304 1.363 20 30 BDEDHN COC1(CCNC[C@@H](C#N)CCC#N)CCC1 ZINC000515055034 387326350 /nfs/dbraw/zinc/32/63/50/387326350.db2.gz MAKKEMOBTRVFFT-GFCCVEGCSA-N 0 3 235.331 1.979 20 30 BDEDHN C=C(C)COCCNC(=O)CN(CC)CC ZINC000162319077 387341280 /nfs/dbraw/zinc/34/12/80/387341280.db2.gz NRXBIYXULUIKAK-UHFFFAOYSA-N 0 3 228.336 1.037 20 30 BDEDHN CN(Cc1cc(C#N)cs1)CC1CC(O)C1 ZINC000191158082 387350904 /nfs/dbraw/zinc/35/09/04/387350904.db2.gz OPQUCQNXBSGNBE-UHFFFAOYSA-N 0 3 236.340 1.822 20 30 BDEDHN C#CCN1CCN(CC#C)[C@H]([C@@H](C)CC)C1 ZINC000270037468 387425437 /nfs/dbraw/zinc/42/54/37/387425437.db2.gz ZCVSKXNJWXFMGQ-KBPBESRZSA-N 0 3 218.344 1.285 20 30 BDEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)C ZINC000267540210 387409904 /nfs/dbraw/zinc/40/99/04/387409904.db2.gz VBVNFYQNKDPDFG-NSHDSACASA-N 0 3 210.321 1.505 20 30 BDEDHN C#CCN(CC)CCC(=O)OCCCC ZINC000267370926 387410301 /nfs/dbraw/zinc/41/03/01/387410301.db2.gz YCAKWPMVRPKVBB-UHFFFAOYSA-N 0 3 211.305 1.675 20 30 BDEDHN C#CCN(CC)C[C@H](O)COCc1ccccc1 ZINC000267894137 387413760 /nfs/dbraw/zinc/41/37/60/387413760.db2.gz SXHGSEWHZHITJW-HNNXBMFYSA-N 0 3 247.338 1.519 20 30 BDEDHN C#CCCN1CCC[C@H](NC(=O)OCC)C1 ZINC000268685689 387416409 /nfs/dbraw/zinc/41/64/09/387416409.db2.gz FWPOPFMQGHIRND-NSHDSACASA-N 0 3 224.304 1.220 20 30 BDEDHN C=C(Cl)CNC(=O)[C@H](C(C)C)N(C)C ZINC000269186778 387417685 /nfs/dbraw/zinc/41/76/85/387417685.db2.gz DGRKODONEGOPAT-VIFPVBQESA-N 0 3 218.728 1.441 20 30 BDEDHN C[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000051819899 387420327 /nfs/dbraw/zinc/42/03/27/387420327.db2.gz NJASWWCRNSSLQX-JTQLQIEISA-N 0 3 204.273 1.371 20 30 BDEDHN C[C@H](O)CN(C)CCOc1cccc(C#N)c1 ZINC000051819933 387420411 /nfs/dbraw/zinc/42/04/11/387420411.db2.gz LSHPZTKPUSHQTP-NSHDSACASA-N 0 3 234.299 1.250 20 30 BDEDHN C#CCN(CC)CCC(=O)N(C)c1ccccc1 ZINC000269710272 387422776 /nfs/dbraw/zinc/42/27/76/387422776.db2.gz PECWHCQUTPNBKB-UHFFFAOYSA-N 0 3 244.338 1.995 20 30 BDEDHN C#CCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375467646 387542733 /nfs/dbraw/zinc/54/27/33/387542733.db2.gz YQUFQGTXWXIGHM-NSHDSACASA-N 0 3 231.299 1.760 20 30 BDEDHN CCN(C(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424096919 387505548 /nfs/dbraw/zinc/50/55/48/387505548.db2.gz ZFSGIMTUYULOFF-LBPRGKRZSA-N 0 3 237.347 1.799 20 30 BDEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)CO ZINC000186095901 387509135 /nfs/dbraw/zinc/50/91/35/387509135.db2.gz HDGJPRUYEYIRNF-NSHDSACASA-N 0 3 218.300 1.679 20 30 BDEDHN CCN(CCOc1ccccc1C#N)[C@@H](C)CO ZINC000293488423 387516466 /nfs/dbraw/zinc/51/64/66/387516466.db2.gz SNOOECMOZSQEFJ-LBPRGKRZSA-N 0 3 248.326 1.640 20 30 BDEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424106613 387529539 /nfs/dbraw/zinc/52/95/39/387529539.db2.gz XQMFUBGSWGZHKU-IJLUTSLNSA-N 0 3 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C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccnc(C#N)c1 ZINC000528761849 387594536 /nfs/dbraw/zinc/59/45/36/387594536.db2.gz JZTSLNSLDQFTGT-KZWBYHQPSA-N 0 3 245.326 1.855 20 30 BDEDHN CCCC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000424112216 387545343 /nfs/dbraw/zinc/54/53/43/387545343.db2.gz IMJCLNLMJMRKGU-JTQLQIEISA-N 0 3 225.336 1.702 20 30 BDEDHN CCCC(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000424112217 387546376 /nfs/dbraw/zinc/54/63/76/387546376.db2.gz IMJCLNLMJMRKGU-SNVBAGLBSA-N 0 3 225.336 1.702 20 30 BDEDHN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424117638 387560703 /nfs/dbraw/zinc/56/07/03/387560703.db2.gz CUFJTXPAMXDFMU-WOPDTQHZSA-N 0 3 237.347 1.655 20 30 BDEDHN CC[C@H](C)CN(CC)C(=O)[C@@H](N)CCCC#N ZINC000424119686 387573172 /nfs/dbraw/zinc/57/31/72/387573172.db2.gz FVRKAYGEVABIOB-RYUDHWBXSA-N 0 3 239.363 1.902 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000424135887 387655453 /nfs/dbraw/zinc/65/54/53/387655453.db2.gz ZYLSOLKCIPCDCX-ZDUSSCGKSA-N 0 3 249.358 1.656 20 30 BDEDHN 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C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)C1CCCC1 ZINC000491732386 388315899 /nfs/dbraw/zinc/31/58/99/388315899.db2.gz MXLCEIZEYDERSD-ZDUSSCGKSA-N 0 3 247.338 1.960 20 30 BDEDHN C#CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000491753564 388318244 /nfs/dbraw/zinc/31/82/44/388318244.db2.gz OSYFBUQIFRHQOJ-NSHDSACASA-N 0 3 237.347 1.039 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000491781070 388320437 /nfs/dbraw/zinc/32/04/37/388320437.db2.gz MPWIJJVRAFUNFO-LBPRGKRZSA-N 0 3 244.338 1.842 20 30 BDEDHN C#CC(C)(C)N(C)CCOCC(F)(F)F ZINC000491781563 388320698 /nfs/dbraw/zinc/32/06/98/388320698.db2.gz MBBLMHYEWLIZCX-UHFFFAOYSA-N 0 3 223.238 1.909 20 30 BDEDHN C#C[C@@H](CC)NCc1cnc2n[nH]c(C)c2c1 ZINC000491821316 388324053 /nfs/dbraw/zinc/32/40/53/388324053.db2.gz VKKTVWIPJXJVBV-NSHDSACASA-N 0 3 228.299 1.768 20 30 BDEDHN C#CC(C)(C)NC(=O)[C@@H](CC)N(CC)CC ZINC000490983717 388263672 /nfs/dbraw/zinc/26/36/72/388263672.db2.gz BEJWNXDVFXXQHV-LLVKDONJSA-N 0 3 224.348 1.635 20 30 BDEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC000490986495 388263730 /nfs/dbraw/zinc/26/37/30/388263730.db2.gz SUCXWFHSQRKORO-STQMWFEESA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCN(CC)CCCO[C@@H]1CCCCO1 ZINC000491104938 388270079 /nfs/dbraw/zinc/27/00/79/388270079.db2.gz UMHFNIBHGNILTK-CYBMUJFWSA-N 0 3 225.332 1.875 20 30 BDEDHN C#CCN(CCO[C@@H](C)C#N)C1CCCC1 ZINC000491104137 388270411 /nfs/dbraw/zinc/27/04/11/388270411.db2.gz RQNOMDICZYLUHA-LBPRGKRZSA-N 0 3 220.316 1.793 20 30 BDEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1ccco1 ZINC000491118309 388270449 /nfs/dbraw/zinc/27/04/49/388270449.db2.gz CCTCLKITIVVDMV-NSHDSACASA-N 0 3 234.299 1.412 20 30 BDEDHN C#CC(C)(C)N(C)CCN1CCOC[C@@H]1C ZINC000491164752 388273287 /nfs/dbraw/zinc/27/32/87/388273287.db2.gz FJXGELNXDIVAMM-LBPRGKRZSA-N 0 3 224.348 1.051 20 30 BDEDHN C=C(CC)CN1CC[C@@](O)(C(F)F)C1 ZINC000451441822 388273906 /nfs/dbraw/zinc/27/39/06/388273906.db2.gz ZMQRXYBDVYUMFI-JTQLQIEISA-N 0 3 205.248 1.655 20 30 BDEDHN C#C[C@H](C)N(C)CCc1scnc1C ZINC000491181111 388274915 /nfs/dbraw/zinc/27/49/15/388274915.db2.gz QERDXSNEQVKXGS-VIFPVBQESA-N 0 3 208.330 1.948 20 30 BDEDHN C#CCN(CC#CC)C[C@H]1CCO[C@H](C)C1 ZINC000491230845 388278509 /nfs/dbraw/zinc/27/85/09/388278509.db2.gz PLWFOTKXQVKNNY-KGLIPLIRSA-N 0 3 219.328 1.760 20 30 BDEDHN C[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032908 388347083 /nfs/dbraw/zinc/34/70/83/388347083.db2.gz DJLMWCNDBYEETB-LLVKDONJSA-N 0 3 230.311 1.908 20 30 BDEDHN CN(C)CCn1cc(C#N)c(=O)c2ccccc21 ZINC000193490636 388357770 /nfs/dbraw/zinc/35/77/70/388357770.db2.gz MSQMABVUOFQIDS-UHFFFAOYSA-N 0 3 241.294 1.435 20 30 BDEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1CC1 ZINC000193488335 388358445 /nfs/dbraw/zinc/35/84/45/388358445.db2.gz SRLCLBXGEPDPDH-LBPRGKRZSA-N 0 3 236.359 1.917 20 30 BDEDHN C[C@@H]1CCCCN1CCNc1ccncc1C#N ZINC000548481456 388360607 /nfs/dbraw/zinc/36/06/07/388360607.db2.gz MYRQIFRQMZDNTB-GFCCVEGCSA-N 0 3 244.342 1.661 20 30 BDEDHN COc1cc(CN(C)C2CC(O)C2)ccc1C#N ZINC000442857263 388366483 /nfs/dbraw/zinc/36/64/83/388366483.db2.gz SKYPAOHVROTJEL-UHFFFAOYSA-N 0 3 246.310 1.522 20 30 BDEDHN CN(CCc1ccc(C#N)cc1)C(C)(C)C(N)=O ZINC000595506520 388387969 /nfs/dbraw/zinc/38/79/69/388387969.db2.gz DVWYXWXNPGVREC-UHFFFAOYSA-N 0 3 245.326 1.296 20 30 BDEDHN C[C@H](NCC1(CO)COC1)c1cccc(C#N)c1 ZINC000271821937 388406345 /nfs/dbraw/zinc/40/63/45/388406345.db2.gz NUYDVJBCYFHJJF-NSHDSACASA-N 0 3 246.310 1.218 20 30 BDEDHN C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000134002925 388390909 /nfs/dbraw/zinc/39/09/09/388390909.db2.gz CRWVFALTUWUQHR-BDAKNGLRSA-N 0 3 222.263 1.729 20 30 BDEDHN CN(C)C1CN(c2ncc(C#N)cc2Cl)C1 ZINC000271737548 388399765 /nfs/dbraw/zinc/39/97/65/388399765.db2.gz PHDBJEIHYYHDLB-UHFFFAOYSA-N 0 3 236.706 1.357 20 30 BDEDHN CC(C)[C@@H](CO)NCc1ccccc1C#N ZINC000174425473 388440082 /nfs/dbraw/zinc/44/00/82/388440082.db2.gz GSBXHGUIXALFGZ-CYBMUJFWSA-N 0 3 218.300 1.665 20 30 BDEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(=O)N1 ZINC000328818251 388451527 /nfs/dbraw/zinc/45/15/27/388451527.db2.gz HPHXAJDNCSBILJ-ZJUUUORDSA-N 0 3 239.319 1.546 20 30 BDEDHN C=C(C)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000336346140 388457121 /nfs/dbraw/zinc/45/71/21/388457121.db2.gz JJVZFCYFCPKGMG-SECBINFHSA-N 0 3 205.248 1.512 20 30 BDEDHN C=CCCCCN1CCC[C@H](NC(C)=O)C1 ZINC000649248803 388469192 /nfs/dbraw/zinc/46/91/92/388469192.db2.gz BARVZEBVIRFTIE-ZDUSSCGKSA-N 0 3 224.348 1.943 20 30 BDEDHN C[C@@H](CO)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271916324 388412269 /nfs/dbraw/zinc/41/22/69/388412269.db2.gz GHLAYBVJPGWYHE-NXEZZACHSA-N 0 3 236.290 1.976 20 30 BDEDHN C=CCC[C@H](CO)NCc1cnc2ccccn12 ZINC000648820946 388413395 /nfs/dbraw/zinc/41/33/95/388413395.db2.gz AKFHKRWHIIDQMA-GFCCVEGCSA-N 0 3 245.326 1.751 20 30 BDEDHN C[C@@H](CNCCC#N)CNC(=O)OC(C)(C)C ZINC000307357165 388423395 /nfs/dbraw/zinc/42/33/95/388423395.db2.gz WFMLCFZGDRBTET-JTQLQIEISA-N 0 3 241.335 1.650 20 30 BDEDHN CC(C#N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000393473872 388431632 /nfs/dbraw/zinc/43/16/32/388431632.db2.gz FNUFZXUCGVHKSD-IUCAKERBSA-N 0 3 212.293 1.059 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC[C@@H](n2ccnc2)C1 ZINC000649287100 388543756 /nfs/dbraw/zinc/54/37/56/388543756.db2.gz BYTBOFXRIXTACY-OLZOCXBDSA-N 0 3 235.331 1.457 20 30 BDEDHN N#Cc1ccc(CN2CCCc3[nH]ncc3C2)o1 ZINC000597258999 388489150 /nfs/dbraw/zinc/48/91/50/388489150.db2.gz VIWMCKXHJPIKCR-UHFFFAOYSA-N 0 3 242.282 1.823 20 30 BDEDHN COCCN(CCO)Cc1ccc(CC#N)cc1 ZINC000343518382 388501572 /nfs/dbraw/zinc/50/15/72/388501572.db2.gz BOTMHBWFGSUVDC-UHFFFAOYSA-N 0 3 248.326 1.193 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc2cn(C)nc2c1 ZINC000529812286 388590322 /nfs/dbraw/zinc/59/03/22/388590322.db2.gz XORAKQFYTCHNQF-SECBINFHSA-N 0 3 242.282 1.349 20 30 BDEDHN CO[C@H]1C[C@@H](N(C)CCOCCC#N)C1 ZINC000550096392 388599169 /nfs/dbraw/zinc/59/91/69/388599169.db2.gz HYVSQFADVDXVQP-PHIMTYICSA-N 0 3 212.293 1.026 20 30 BDEDHN C[C@H](CCCC#N)N1CCN(C2COC2)CC1 ZINC001172493680 974841410 /nfs/dbraw/zinc/84/14/10/974841410.db2.gz NTYRXOPFTOMHST-GFCCVEGCSA-N 0 3 237.347 1.085 20 30 BDEDHN C#CCN1CCC[C@H](C2(C)OCCO2)C1 ZINC000183857149 388571622 /nfs/dbraw/zinc/57/16/22/388571622.db2.gz MNXCTYGJYAOFRW-NSHDSACASA-N 0 3 209.289 1.095 20 30 BDEDHN CCOC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000113498957 388675575 /nfs/dbraw/zinc/67/55/75/388675575.db2.gz UJMFOIIGVQKHMO-CQSZACIVSA-N 0 3 248.326 1.387 20 30 BDEDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)o1 ZINC000313138722 388681828 /nfs/dbraw/zinc/68/18/28/388681828.db2.gz HDFFSVDABAWSAE-VXGBXAGGSA-N 0 3 222.288 1.790 20 30 BDEDHN CC(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360060550 388633054 /nfs/dbraw/zinc/63/30/54/388633054.db2.gz NEKJILSYRNHPSY-LBPRGKRZSA-N 0 3 245.326 1.720 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)c1ncccc1F ZINC000530238093 388637761 /nfs/dbraw/zinc/63/77/61/388637761.db2.gz LQRAWBJMGILSLH-SFYZADRCSA-N 0 3 221.235 1.558 20 30 BDEDHN C[C@H](C#N)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000246631917 388645892 /nfs/dbraw/zinc/64/58/92/388645892.db2.gz BAGFJGWTCWWJHE-WYUUTHIRSA-N 0 3 237.347 1.524 20 30 BDEDHN C[C@H](O)CCN(C)CCOc1cccc(C#N)c1 ZINC000075783970 388662258 /nfs/dbraw/zinc/66/22/58/388662258.db2.gz ZXDBKLXUCVLPPW-LBPRGKRZSA-N 0 3 248.326 1.640 20 30 BDEDHN CN(Cc1ccc(C#N)o1)[C@H]1CC[C@H](O)CC1 ZINC000275935945 388737170 /nfs/dbraw/zinc/73/71/70/388737170.db2.gz HUNJMLLOGLKRDE-XYPYZODXSA-N 0 3 234.299 1.887 20 30 BDEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194651579 388738033 /nfs/dbraw/zinc/73/80/33/388738033.db2.gz GHMBQNPBXVXBSY-NEPJUHHUSA-N 0 3 240.347 1.178 20 30 BDEDHN N#Cc1ncn(CCN2CCCCC2)c1C#N ZINC000154639642 388740327 /nfs/dbraw/zinc/74/03/27/388740327.db2.gz HFBWWLHPFZQQPJ-UHFFFAOYSA-N 0 3 229.287 1.112 20 30 BDEDHN CO[C@@H]1CCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276979811 388744771 /nfs/dbraw/zinc/74/47/71/388744771.db2.gz SDJGHMQVWSKCGS-ZIAGYGMSSA-N 0 3 247.342 1.944 20 30 BDEDHN N#Cc1ccc(C2(NCCO)CCOCC2)cc1 ZINC000528779218 388708906 /nfs/dbraw/zinc/70/89/06/388708906.db2.gz SNXXBRBZAKZYKU-UHFFFAOYSA-N 0 3 246.310 1.146 20 30 BDEDHN N#Cc1cc(CNC2(CO)CCCC2)ccn1 ZINC000068754884 388717522 /nfs/dbraw/zinc/71/75/22/388717522.db2.gz OKPBEBRUMTWLIR-UHFFFAOYSA-N 0 3 231.299 1.348 20 30 BDEDHN CC(C)N(CCN(C)C)c1ncccc1C#N ZINC000274388624 388732079 /nfs/dbraw/zinc/73/20/79/388732079.db2.gz UWFHFPSLVKQPEH-UHFFFAOYSA-N 0 3 232.331 1.730 20 30 BDEDHN C#C[C@@H](CC)NCc1ccc(C(=O)OC)[nH]1 ZINC000229895024 388803273 /nfs/dbraw/zinc/80/32/73/388803273.db2.gz LYPRLMFNAVDFSI-VIFPVBQESA-N 0 3 220.272 1.303 20 30 BDEDHN C=CCCC(=O)NC[C@H](C)N1CCCC1 ZINC000522601125 388763862 /nfs/dbraw/zinc/76/38/62/388763862.db2.gz BGBNXGLIZHESKC-NSHDSACASA-N 0 3 210.321 1.553 20 30 BDEDHN C[C@@H](NC[C@]1(O)CCOC1)c1cccc(C#N)c1 ZINC000224758805 388812681 /nfs/dbraw/zinc/81/26/81/388812681.db2.gz KXDRKLKTWZVCKH-BXUZGUMPSA-N 0 3 246.310 1.360 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(N(C)C)nc1 ZINC000648745373 388785532 /nfs/dbraw/zinc/78/55/32/388785532.db2.gz ORRDWQGRXAVSOD-OLZOCXBDSA-N 0 3 247.342 1.581 20 30 BDEDHN Cc1noc(C)c1C[C@@H](C)NC(=O)C(C)C#N ZINC000523408613 388837992 /nfs/dbraw/zinc/83/79/92/388837992.db2.gz BDNBYVWZRJFWPU-HTQZYQBOSA-N 0 3 235.287 1.498 20 30 BDEDHN C#CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000575476625 388860693 /nfs/dbraw/zinc/86/06/93/388860693.db2.gz GDJTVFVRDBGBFF-TZMCWYRMSA-N 0 3 242.322 1.399 20 30 BDEDHN C=C(C)COCCNCc1cnc(C)n1C ZINC000565844968 388974229 /nfs/dbraw/zinc/97/42/29/388974229.db2.gz GJMOHBOCQYYMJQ-UHFFFAOYSA-N 0 3 223.320 1.411 20 30 BDEDHN N#CCCC[C@@H](N)C(=O)NCCCC1CC1 ZINC000566062785 388985606 /nfs/dbraw/zinc/98/56/06/388985606.db2.gz SESDVFOYRJGVPJ-LLVKDONJSA-N 0 3 223.320 1.314 20 30 BDEDHN C#C[C@H](C)N[C@H]1C[C@H](OCC)C12CCC2 ZINC000166528946 533297671 /nfs/dbraw/zinc/29/76/71/533297671.db2.gz OMLNUTSTTQPNTE-SRVKXCTJSA-N 0 3 207.317 1.945 20 30 BDEDHN C=C(C)CCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000352045900 533485325 /nfs/dbraw/zinc/48/53/25/533485325.db2.gz JGMOXGHIOZHMKY-LLVKDONJSA-N 0 3 231.361 1.319 20 30 BDEDHN C=C(C)CN(CC)C(=O)CN(CC)CC ZINC000052867873 533500074 /nfs/dbraw/zinc/50/00/74/533500074.db2.gz ZPRPZVDQLKGZNR-UHFFFAOYSA-N 0 3 212.337 1.753 20 30 BDEDHN CC(=O)N1CCN([C@@H](C)CCCC#N)C[C@@H]1C ZINC001172498223 974846799 /nfs/dbraw/zinc/84/67/99/974846799.db2.gz KBWZRTFJAPYVPH-RYUDHWBXSA-N 0 3 237.347 1.621 20 30 BDEDHN CCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000299021010 132222740 /nfs/dbraw/zinc/22/27/40/132222740.db2.gz IEAVDVGHYCZBBJ-UHFFFAOYSA-N 0 3 244.342 1.875 20 30 BDEDHN C[C@H]1CNCCN1c1cccc(F)c1C#N ZINC000054375169 132233685 /nfs/dbraw/zinc/23/36/85/132233685.db2.gz HHFBMKHOMMPYSI-VIFPVBQESA-N 0 3 219.263 1.495 20 30 BDEDHN CC1(C)CN(c2ncccc2C#N)CCN1 ZINC000133189182 132237563 /nfs/dbraw/zinc/23/75/63/132237563.db2.gz IJLPQTWBDBWHFM-UHFFFAOYSA-N 0 3 216.288 1.141 20 30 BDEDHN C[C@@H](CCCC#N)n1[n-]c(=O)c2c1CC[NH2+]C2 ZINC001172497903 974847488 /nfs/dbraw/zinc/84/74/88/974847488.db2.gz HJCRRNGERGNEMJ-VIFPVBQESA-N 0 3 234.303 1.489 20 30 BDEDHN N#Cc1cnc(N2CCNCC2)c(Cl)c1 ZINC000113356130 132268180 /nfs/dbraw/zinc/26/81/80/132268180.db2.gz JDIRHSZPPWZEPV-UHFFFAOYSA-N 0 3 222.679 1.016 20 30 BDEDHN CC[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000055079948 132365252 /nfs/dbraw/zinc/36/52/52/132365252.db2.gz OJBXQOKAMYSYGQ-LBPRGKRZSA-N 0 3 244.342 1.874 20 30 BDEDHN N#C[C@@H]1CC[C@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000331502591 134000391 /nfs/dbraw/zinc/00/03/91/134000391.db2.gz BZTFUBBSZXBNHN-WCUVEOEZSA-N 0 3 242.322 1.927 20 30 BDEDHN CCOC1CC(N(C)C(=O)C(C)C#N)C1 ZINC000331963200 134003093 /nfs/dbraw/zinc/00/30/93/134003093.db2.gz AMWCETHZMRDATH-IDKOKCKLSA-N 0 3 210.277 1.172 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000332405925 134004917 /nfs/dbraw/zinc/00/49/17/134004917.db2.gz XQYUAQQNCDWUHV-OUAUKWLOSA-N 0 3 222.288 1.031 20 30 BDEDHN C=C(C)CCN1CCN(Cc2cnn(C)c2)CC1 ZINC000352048222 134046128 /nfs/dbraw/zinc/04/61/28/134046128.db2.gz LFPYWRDZIAUBGX-UHFFFAOYSA-N 0 3 248.374 1.504 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000336000670 134046993 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C[C@H]1C[C@@H](N(C)c2cnc(C#N)cn2)CCN1C ZINC000125448238 177327466 /nfs/dbraw/zinc/32/74/66/177327466.db2.gz NQJACAMFTNLDOO-JQWIXIFHSA-N 0 3 245.330 1.267 20 30 BDEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)o2)CN1C1CC1 ZINC000151127514 177332519 /nfs/dbraw/zinc/33/25/19/177332519.db2.gz KTAFFCRDQYMMTM-WDEREUQCSA-N 0 3 245.326 1.866 20 30 BDEDHN CN(C)C/C=C/C(=O)N1CCC(CC#N)CC1 ZINC000492451961 226001545 /nfs/dbraw/zinc/00/15/45/226001545.db2.gz BLEZLHWBHSOFJF-ONEGZZNKSA-N 0 3 235.331 1.256 20 30 BDEDHN CN(C)C/C=C\C(=O)NCC(C)(C)CCC#N ZINC000493043476 226110980 /nfs/dbraw/zinc/11/09/80/226110980.db2.gz FLSNKEWOBNSWTC-ALCCZGGFSA-N 0 3 237.347 1.550 20 30 BDEDHN C[C@]1(CO)CCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000493378640 226200589 /nfs/dbraw/zinc/20/05/89/226200589.db2.gz BIAFNAPINXVZMH-JHJVBQTASA-N 0 3 235.331 1.571 20 30 BDEDHN CN(C)C(=O)O[C@H]1CCN(CCCCC#N)C1 ZINC000496392406 226303619 /nfs/dbraw/zinc/30/36/19/226303619.db2.gz MKDOBLNKWIZBBW-NSHDSACASA-N 0 3 239.319 1.453 20 30 BDEDHN 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C=C[C@H](C)NC[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894333238 583425793 /nfs/dbraw/zinc/42/57/93/583425793.db2.gz VMPBAONNBYPEOH-BIIVOSGPSA-N 0 3 219.231 1.205 20 30 BDEDHN C#C[C@H](C)NC[C@H]1C[C@]1(C)Br ZINC000894385273 583443355 /nfs/dbraw/zinc/44/33/55/583443355.db2.gz YJGGSYSCNMDEFC-YIZRAAEISA-N 0 3 216.122 1.771 20 30 BDEDHN C=CCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000894512244 583475714 /nfs/dbraw/zinc/47/57/14/583475714.db2.gz UULHZFDXSIVHIE-LBPRGKRZSA-N 0 3 239.363 1.688 20 30 BDEDHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000894774456 583517833 /nfs/dbraw/zinc/51/78/33/583517833.db2.gz SRDXRGSHKAIDGW-FXBDTBDDSA-N 0 3 219.292 1.456 20 30 BDEDHN N#Cc1cc(CNC[C@H]2CCC[C@@H]2O)cs1 ZINC000894816961 583525485 /nfs/dbraw/zinc/52/54/85/583525485.db2.gz LYNAJJLIHBXFSP-PWSUYJOCSA-N 0 3 236.340 1.870 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000894938111 583558556 /nfs/dbraw/zinc/55/85/56/583558556.db2.gz YBIJGKFBNKNBRF-RYUDHWBXSA-N 0 3 237.347 1.134 20 30 BDEDHN C#CCN(C)CCCNC(=O)NC(C)(C)C=C ZINC000895058078 583575798 /nfs/dbraw/zinc/57/57/98/583575798.db2.gz YRYZCCVLJYJPCP-UHFFFAOYSA-N 0 3 237.347 1.205 20 30 BDEDHN CC#CC[C@@H](CO)N[C@H](C)c1cnc(C)nc1C ZINC000895102974 583589159 /nfs/dbraw/zinc/58/91/59/583589159.db2.gz JELNNWDAUYJACK-YPMHNXCESA-N 0 3 247.342 1.518 20 30 BDEDHN CC#CC[C@H](CO)NCc1cnn(C)c1C1CC1 ZINC000895132086 583600927 /nfs/dbraw/zinc/60/09/27/583600927.db2.gz NSDQAFGULFSKIV-CYBMUJFWSA-N 0 3 247.342 1.161 20 30 BDEDHN CC#CC[C@@H](CO)N[C@@H]1COC2(CCC2)C1 ZINC000895132818 583601467 /nfs/dbraw/zinc/60/14/67/583601467.db2.gz YKXDAGMIXJLDQZ-RYUDHWBXSA-N 0 3 223.316 1.062 20 30 BDEDHN C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159468 583608316 /nfs/dbraw/zinc/60/83/16/583608316.db2.gz GICHBHHCUKHKJR-GRYCIOLGSA-N 0 3 240.347 1.783 20 30 BDEDHN CC(C)C[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161141 583609490 /nfs/dbraw/zinc/60/94/90/583609490.db2.gz FBCWPWFWDMKKRO-ZJUUUORDSA-N 0 3 214.309 1.391 20 30 BDEDHN CCN1CC[C@H]1CNc1cc(C)cc(C#N)n1 ZINC000895160412 583609574 /nfs/dbraw/zinc/60/95/74/583609574.db2.gz LVUVIONCYIFLIQ-LBPRGKRZSA-N 0 3 230.315 1.768 20 30 BDEDHN CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162097 583610340 /nfs/dbraw/zinc/61/03/40/583610340.db2.gz WQXAMJWJRXRMJG-TUAOUCFPSA-N 0 3 240.347 1.781 20 30 BDEDHN CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161264 583610511 /nfs/dbraw/zinc/61/05/11/583610511.db2.gz FMCWLLZCJKJVML-IVZWLZJFSA-N 0 3 214.309 1.391 20 30 BDEDHN O=C1[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCCN1[O-] ZINC000895161971 583610555 /nfs/dbraw/zinc/61/05/55/583610555.db2.gz JALYTLKDCAYCSH-MNOVXSKESA-N 0 3 224.304 1.313 20 30 BDEDHN C=CCCCN(CC)C(=O)NC[C@H](C)N(C)C ZINC000895208961 583626011 /nfs/dbraw/zinc/62/60/11/583626011.db2.gz PBOOQCXGISGVMH-LBPRGKRZSA-N 0 3 241.379 1.934 20 30 BDEDHN C#CCC1(O)CCN(Cc2cccn2C)CC1 ZINC000895675606 583704120 /nfs/dbraw/zinc/70/41/20/583704120.db2.gz RONPPMQQSBJUTL-UHFFFAOYSA-N 0 3 232.327 1.375 20 30 BDEDHN C#CCC1(O)CCN(CC2=CCCOC2)CC1 ZINC000895675015 583704341 /nfs/dbraw/zinc/70/43/41/583704341.db2.gz JJQKHBCACVKCIA-UHFFFAOYSA-N 0 3 235.327 1.183 20 30 BDEDHN C#C[C@@H](C)NC(=O)NCCN1CCC(C)(C)C1 ZINC000895679312 583705174 /nfs/dbraw/zinc/70/51/74/583705174.db2.gz MQFJGCIVJLUCPP-LLVKDONJSA-N 0 3 237.347 1.039 20 30 BDEDHN C#CC[C@@H](CO)NCc1ccc(C)c(OC)c1 ZINC000883124320 583709544 /nfs/dbraw/zinc/70/95/44/583709544.db2.gz DFDIVRUCNFUDBO-ZDUSSCGKSA-N 0 3 233.311 1.477 20 30 BDEDHN C=C(C)C[C@H](CO)NCc1cccc(C#N)n1 ZINC000895713936 583711388 /nfs/dbraw/zinc/71/13/88/583711388.db2.gz WXSVMQALKFJKLH-CYBMUJFWSA-N 0 3 231.299 1.370 20 30 BDEDHN C[C@H]1[C@H](Nc2ncc(C#N)cc2F)CCN1C ZINC000895735694 583717898 /nfs/dbraw/zinc/71/78/98/583717898.db2.gz DZMAKDFDASSAKX-GZMMTYOYSA-N 0 3 234.278 1.597 20 30 BDEDHN C[C@H]1[C@@H](Nc2ccc(C#N)c(N)n2)CCN1C ZINC000895736907 583717921 /nfs/dbraw/zinc/71/79/21/583717921.db2.gz MCOKGEMNZGPJBF-WPRPVWTQSA-N 0 3 231.303 1.040 20 30 BDEDHN C[C@@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C ZINC000895735696 583718526 /nfs/dbraw/zinc/71/85/26/583718526.db2.gz DZMAKDFDASSAKX-KCJUWKMLSA-N 0 3 234.278 1.597 20 30 BDEDHN C#CCN(C[C@H](C)CCC#N)C1CSC1 ZINC000895813732 583734299 /nfs/dbraw/zinc/73/42/99/583734299.db2.gz FNZMKBSGNKEXBV-LLVKDONJSA-N 0 3 222.357 1.977 20 30 BDEDHN C=CCC1(O)CCN(Cc2cccn2C)CC1 ZINC000895835659 583736069 /nfs/dbraw/zinc/73/60/69/583736069.db2.gz KMCYWSFVWAMPLI-UHFFFAOYSA-N 0 3 234.343 1.928 20 30 BDEDHN CCO[C@H](CNc1cc(C#N)ccn1)CN(C)C ZINC000896116529 583772394 /nfs/dbraw/zinc/77/23/94/583772394.db2.gz HWHJNBCZNNNSSN-GFCCVEGCSA-N 0 3 248.330 1.332 20 30 BDEDHN C=C(C)C[C@@H](CO)NCc1cn(C)nc1C ZINC000883400432 583795805 /nfs/dbraw/zinc/79/58/05/583795805.db2.gz MKDGYXIZJSBYDV-LBPRGKRZSA-N 0 3 223.320 1.145 20 30 BDEDHN CN1CCC2(CCN2c2cc(C#N)ncn2)CC1 ZINC000897133726 583882779 /nfs/dbraw/zinc/88/27/79/583882779.db2.gz OIPFEZCEWBFCJG-UHFFFAOYSA-N 0 3 243.314 1.023 20 30 BDEDHN CC[C@@H](CN(C)C)OC(=O)c1ccc(C#N)n1C ZINC000870547481 583922324 /nfs/dbraw/zinc/92/23/24/583922324.db2.gz HZQAVOLTEQHPEH-NSHDSACASA-N 0 3 249.314 1.394 20 30 BDEDHN C=CC[C@H](C)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897436231 583976756 /nfs/dbraw/zinc/97/67/56/583976756.db2.gz WFQCJLPNKWJWQG-NEPJUHHUSA-N 0 3 239.363 1.592 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1cnn2c1CCC2 ZINC000858334480 588946348 /nfs/dbraw/zinc/94/63/48/588946348.db2.gz NWFREOPLDSGAGN-ZDUSSCGKSA-N 0 3 247.342 1.347 20 30 BDEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000858368425 588949196 /nfs/dbraw/zinc/94/91/96/588949196.db2.gz KINDLLDUOBSSSY-WCQYABFASA-N 0 3 249.358 1.324 20 30 BDEDHN Cc1ccc(C2CC(N=NC(=N)N)C2)cc1 ZINC000729818185 584026834 /nfs/dbraw/zinc/02/68/34/584026834.db2.gz JGXGOMYYVLTDPL-UHFFFAOYSA-N 0 3 216.288 1.711 20 30 BDEDHN CC[C@H](CN1CCCC1)NC(=O)NCCC#N ZINC000787365816 584119085 /nfs/dbraw/zinc/11/90/85/584119085.db2.gz HYZQVHMLHHSZLF-LLVKDONJSA-N 0 3 238.335 1.074 20 30 BDEDHN C=CC(C)(C)NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000898458027 584137350 /nfs/dbraw/zinc/13/73/50/584137350.db2.gz VJCLFELJARRLPJ-UHFFFAOYSA-N 0 3 235.331 1.771 20 30 BDEDHN C=CC(C)(C)NCc1cnc(N(C)C)nc1 ZINC000898457999 584137588 /nfs/dbraw/zinc/13/75/88/584137588.db2.gz UMNZDEOOPLAMIN-UHFFFAOYSA-N 0 3 220.320 1.597 20 30 BDEDHN C=CC(C)(C)NCc1cnc2n1CCC2 ZINC000898460634 584137871 /nfs/dbraw/zinc/13/78/71/584137871.db2.gz QIODBYWLKGWUDG-UHFFFAOYSA-N 0 3 205.305 1.884 20 30 BDEDHN C=C[C@H](C)NC(=O)NCCN1CCC(C)(C)C1 ZINC000898594464 584144493 /nfs/dbraw/zinc/14/44/93/584144493.db2.gz OPUMNWGAZWJDGW-NSHDSACASA-N 0 3 239.363 1.592 20 30 BDEDHN C=C1CN(C(=O)CN2CCC(C)CC2)C1 ZINC000898698057 584154834 /nfs/dbraw/zinc/15/48/34/584154834.db2.gz BHOYYXQVXZEJSW-UHFFFAOYSA-N 0 3 208.305 1.117 20 30 BDEDHN C#CC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000899077954 584175131 /nfs/dbraw/zinc/17/51/31/584175131.db2.gz FTVDMGADPPVVCR-QWRGUYRKSA-N 0 3 234.299 1.458 20 30 BDEDHN C#CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000899161339 584179437 /nfs/dbraw/zinc/17/94/37/584179437.db2.gz ICYOCYUSFPPKFT-UHFFFAOYSA-N 0 3 220.247 1.459 20 30 BDEDHN CCn1cc(/C=C2\C(=O)c3nccn3C2C)nn1 ZINC000899393251 584211573 /nfs/dbraw/zinc/21/15/73/584211573.db2.gz YQODDPIULYXONH-NDVARNPJSA-N 0 3 243.270 1.335 20 30 BDEDHN CC(C#N)C(=O)N(CC(F)F)C1CCC1 ZINC000899784622 584237651 /nfs/dbraw/zinc/23/76/51/584237651.db2.gz BXJZZERZLOYLQI-SSDOTTSWSA-N 0 3 216.231 1.792 20 30 BDEDHN C=CC(C)(C)CC(=O)NCCN1CCCC1 ZINC000900010954 584266374 /nfs/dbraw/zinc/26/63/74/584266374.db2.gz FXHYPZUBNAIJSD-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN C=CCOCCCNc1ccnc(CO)c1 ZINC000858626716 588971968 /nfs/dbraw/zinc/97/19/68/588971968.db2.gz BVWGXBOTLYWRPX-UHFFFAOYSA-N 0 3 222.288 1.579 20 30 BDEDHN C=CCN1CCC(NC(=O)CCF)CC1 ZINC000900599139 584330403 /nfs/dbraw/zinc/33/04/03/584330403.db2.gz OMQHRQIQRZFUMM-UHFFFAOYSA-N 0 3 214.284 1.113 20 30 BDEDHN C=C(Cl)CNC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000900759675 584346026 /nfs/dbraw/zinc/34/60/26/584346026.db2.gz MIMVPVQNPXWZPN-MNOVXSKESA-N 0 3 242.750 1.872 20 30 BDEDHN CS[C@@H]1CCCC(=NNC2=N[C@H](C)CN2)C1 ZINC000901216087 584401651 /nfs/dbraw/zinc/40/16/51/584401651.db2.gz OOBQLIOOLCBOKG-PSASIEDQSA-N 0 3 240.376 1.585 20 30 BDEDHN CC(=NNCCC(C)(C)C)c1c[nH]c(N)n1 ZINC000901217757 584401822 /nfs/dbraw/zinc/40/18/22/584401822.db2.gz RDEREMAKOKYZEV-UHFFFAOYSA-N 0 3 223.324 1.742 20 30 BDEDHN Cn1nccc1N=NC1CCN2CCC[C@H]12 ZINC000901219779 584402967 /nfs/dbraw/zinc/40/29/67/584402967.db2.gz GEHJCPGBTVAPIE-SNVBAGLBSA-N 0 3 219.292 1.056 20 30 BDEDHN CC(=NNC1CCSCC1)c1c[nH]c(N)n1 ZINC000901276974 584413131 /nfs/dbraw/zinc/41/31/31/584413131.db2.gz ZXYUIAGHCUCRSQ-UHFFFAOYSA-N 0 3 239.348 1.201 20 30 BDEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(N)cc1 ZINC000901338522 584426743 /nfs/dbraw/zinc/42/67/43/584426743.db2.gz AQGRKQFMWINZBZ-ZIAGYGMSSA-N 0 3 247.342 1.886 20 30 BDEDHN Cc1cc(/C=C2/C(=O)c3nccn3C2C)nn1C ZINC000901564167 584463461 /nfs/dbraw/zinc/46/34/61/584463461.db2.gz FQULVQNXRYUGDQ-MXFUOJGSSA-N 0 3 242.282 1.766 20 30 BDEDHN C#CCCCCNCc1cn(CC)cn1 ZINC000902313862 584555770 /nfs/dbraw/zinc/55/57/70/584555770.db2.gz UGNKHVQYLNKHQE-UHFFFAOYSA-N 0 3 205.305 1.796 20 30 BDEDHN CC[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902720154 584659609 /nfs/dbraw/zinc/65/96/09/584659609.db2.gz DUKSXMFVBHKRHE-GXSJLCMTSA-N 0 3 219.288 1.375 20 30 BDEDHN C[C@H](NC[C@@H]1CCCO1)c1cc(C#N)ccn1 ZINC000902722559 584660445 /nfs/dbraw/zinc/66/04/45/584660445.db2.gz GBISKDDHNWMCEM-JQWIXIFHSA-N 0 3 231.299 1.783 20 30 BDEDHN C[C@@H](NCCn1ccnc1)c1cc(C#N)ccn1 ZINC000902724742 584661080 /nfs/dbraw/zinc/66/10/80/584661080.db2.gz ICCCMYGDVXQIBQ-LLVKDONJSA-N 0 3 241.298 1.501 20 30 BDEDHN CC[C@@H](N[C@H](C)CO)c1cccc(C#N)c1 ZINC000902762328 584663106 /nfs/dbraw/zinc/66/31/06/584663106.db2.gz LHICZDVKFQPOHX-ZWNOBZJWSA-N 0 3 218.300 1.980 20 30 BDEDHN C[C@@H](NC1CCOCC1)c1cc(C#N)ccn1 ZINC000902757271 584665185 /nfs/dbraw/zinc/66/51/85/584665185.db2.gz PJOKYNWBPXPHRU-SNVBAGLBSA-N 0 3 231.299 1.783 20 30 BDEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902792858 584673540 /nfs/dbraw/zinc/67/35/40/584673540.db2.gz DTWNMXURCKVUHN-GHMZBOCLSA-N 0 3 232.331 1.554 20 30 BDEDHN CC[C@@H](O)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902844133 584680918 /nfs/dbraw/zinc/68/09/18/584680918.db2.gz GMBODWJEJRBRLH-ZYHUDNBSSA-N 0 3 233.315 1.765 20 30 BDEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902950458 584704108 /nfs/dbraw/zinc/70/41/08/584704108.db2.gz GWGKWMJABYBMJG-CMPLNLGQSA-N 0 3 231.299 1.541 20 30 BDEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](C)O ZINC000903008686 584717359 /nfs/dbraw/zinc/71/73/59/584717359.db2.gz RYGFZJMHHBYEDF-UMNHJUIQSA-N 0 3 233.315 1.763 20 30 BDEDHN C[C@@H](NC[C@H](O)C1CCC1)c1cc(C#N)ccn1 ZINC000903014135 584717881 /nfs/dbraw/zinc/71/78/81/584717881.db2.gz NPNDMAWNHWWVNC-YGRLFVJLSA-N 0 3 245.326 1.765 20 30 BDEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903012369 584718042 /nfs/dbraw/zinc/71/80/42/584718042.db2.gz OXTASQJGQAOTGK-YPMHNXCESA-N 0 3 245.326 1.931 20 30 BDEDHN CC(C)(C#N)CN[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903101724 584727547 /nfs/dbraw/zinc/72/75/47/584727547.db2.gz LFSLVPZHYYNKPW-KIJLLGNVSA-N 0 3 234.343 1.939 20 30 BDEDHN CCCCN([O-])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000904213276 584855149 /nfs/dbraw/zinc/85/51/49/584855149.db2.gz NGOXBLBASUWGPX-UHFFFAOYSA-N 0 3 240.347 1.879 20 30 BDEDHN CC[C@@H](SC)C(=O)C(C#N)c1ccncn1 ZINC000760337386 584907639 /nfs/dbraw/zinc/90/76/39/584907639.db2.gz AAWZSEHXYPDBJB-WCBMZHEXSA-N 0 3 235.312 1.794 20 30 BDEDHN C#CCCNC(=O)NC[C@H](C)N1CCCCC1 ZINC000733648782 584951513 /nfs/dbraw/zinc/95/15/13/584951513.db2.gz VYYHEXJPNBXYOC-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000734001303 584956323 /nfs/dbraw/zinc/95/63/23/584956323.db2.gz QHKOWLQJNWLKBS-OAHLLOKOSA-N 0 3 246.354 1.558 20 30 BDEDHN CC(N=NC(=N)N)C(C)(C)c1ccc(F)cc1 ZINC000734976928 584970629 /nfs/dbraw/zinc/97/06/29/584970629.db2.gz VHJWWCFWQRAPIY-UHFFFAOYSA-N 0 3 236.294 1.962 20 30 BDEDHN Cc1ccc2[nH]cc(C=NNC(=N)N)c2c1 ZINC000735608667 584980103 /nfs/dbraw/zinc/98/01/03/584980103.db2.gz FKBWPDBHZQXINU-UHFFFAOYSA-N 0 3 215.260 1.293 20 30 BDEDHN COC(=O)CCCCCCNC(=O)C(C)C#N ZINC000736666352 585009106 /nfs/dbraw/zinc/00/91/06/585009106.db2.gz FDTAXSWRVSANAH-JTQLQIEISA-N 0 3 240.303 1.386 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000736671716 585009343 /nfs/dbraw/zinc/00/93/43/585009343.db2.gz FWRKTRMNBRMSFG-KWQFWETISA-N 0 3 236.246 1.135 20 30 BDEDHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(C)C#N ZINC000736684474 585009769 /nfs/dbraw/zinc/00/97/69/585009769.db2.gz WOJFSYXTHYONAF-UFBFGSQYSA-N 0 3 244.298 1.438 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000838253408 585051198 /nfs/dbraw/zinc/05/11/98/585051198.db2.gz UOXUEKOSEJQXFT-GRYCIOLGSA-N 0 3 222.332 1.409 20 30 BDEDHN C=CCONC(=O)NC[C@@H](C)N1CCCCC1 ZINC000838705081 585065184 /nfs/dbraw/zinc/06/51/84/585065184.db2.gz YTXJUOWGPILBEQ-LLVKDONJSA-N 0 3 241.335 1.278 20 30 BDEDHN C=CCCCCN1CCCN(C=O)CC1 ZINC000839021734 585087828 /nfs/dbraw/zinc/08/78/28/585087828.db2.gz MTCGJQNGBYSBEV-UHFFFAOYSA-N 0 3 210.321 1.507 20 30 BDEDHN CC(C#N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000740125083 585094649 /nfs/dbraw/zinc/09/46/49/585094649.db2.gz BVOHMPWLGNNSBS-IONNQARKSA-N 0 3 224.285 1.057 20 30 BDEDHN C[C@](O)(CN1CCC[C@H](CC#N)C1)C(F)F ZINC000886274448 585116668 /nfs/dbraw/zinc/11/66/68/585116668.db2.gz UANNMWJTBUAAGL-KOLCDFICSA-N 0 3 232.274 1.628 20 30 BDEDHN C#CCCCNC(=O)[C@H]1CCCN1CCC ZINC000742786754 585131431 /nfs/dbraw/zinc/13/14/31/585131431.db2.gz RIIXEEBUIYAGRX-GFCCVEGCSA-N 0 3 222.332 1.390 20 30 BDEDHN CCC(C#N)C(=O)N(CC)C(C)(C)C(=O)OC ZINC000886431419 585136275 /nfs/dbraw/zinc/13/62/75/585136275.db2.gz VHIAEEHOBSTTFU-VIFPVBQESA-N 0 3 240.303 1.336 20 30 BDEDHN CCC(=NNC(=N)N)c1cc(F)ccc1F ZINC000743417403 585136525 /nfs/dbraw/zinc/13/65/25/585136525.db2.gz IIUHXEZROOFRMS-UHFFFAOYSA-N 0 3 226.230 1.562 20 30 BDEDHN CCN(CCC(N)=O)Cc1cccc(C#N)c1 ZINC000746651237 585171499 /nfs/dbraw/zinc/17/14/99/585171499.db2.gz 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232.287 1.474 20 30 BDEDHN Cn1cccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753941224 585272595 /nfs/dbraw/zinc/27/25/95/585272595.db2.gz YKWHNZGIDDVFLT-TXEJJXNPSA-N 0 3 245.330 1.219 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccn1 ZINC000753937640 585272629 /nfs/dbraw/zinc/27/26/29/585272629.db2.gz FENWKZCEZQQUFK-VXGBXAGGSA-N 0 3 243.314 1.276 20 30 BDEDHN C#CCNC(=O)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000754186016 585279849 /nfs/dbraw/zinc/27/98/49/585279849.db2.gz XBCKLXLCOKDKOV-QWHCGFSZSA-N 0 3 244.338 1.518 20 30 BDEDHN COc1cccc2c1CCC(N=NC(=N)N)C2 ZINC000754922727 585292570 /nfs/dbraw/zinc/29/25/70/585292570.db2.gz JNSNUFASADDFHO-UHFFFAOYSA-N 0 3 232.287 1.023 20 30 BDEDHN C#CCCCN1CCCC[C@@]1(C)C(N)=O ZINC000755255049 585296950 /nfs/dbraw/zinc/29/69/50/585296950.db2.gz MRBCWZNSORYACS-LBPRGKRZSA-N 0 3 208.305 1.130 20 30 BDEDHN C=CCCOCCNC(=O)C1(N(C)C)CCC1 ZINC000757234463 585330693 /nfs/dbraw/zinc/33/06/93/585330693.db2.gz VZAHNTWALLQREL-UHFFFAOYSA-N 0 3 240.347 1.180 20 30 BDEDHN C=C(Cl)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000839613979 585332377 /nfs/dbraw/zinc/33/23/77/585332377.db2.gz NKNUYXWBDJSPRZ-VXGBXAGGSA-N 0 3 245.750 1.649 20 30 BDEDHN C=CCO[N-]C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000839788857 585342171 /nfs/dbraw/zinc/34/21/71/585342171.db2.gz LUOUYNGQOZTGDR-LLVKDONJSA-N 0 3 226.320 1.485 20 30 BDEDHN C=CCO[N-]C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000839788857 585342172 /nfs/dbraw/zinc/34/21/72/585342172.db2.gz LUOUYNGQOZTGDR-LLVKDONJSA-N 0 3 226.320 1.485 20 30 BDEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000758337718 585353931 /nfs/dbraw/zinc/35/39/31/585353931.db2.gz YAEBUPDKAAXRGV-CYBMUJFWSA-N 0 3 234.343 1.485 20 30 BDEDHN C#CCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000758710670 585358877 /nfs/dbraw/zinc/35/88/77/585358877.db2.gz UCIMRGGTYFNGIF-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN C#CCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000758710673 585358946 /nfs/dbraw/zinc/35/89/46/585358946.db2.gz UCIMRGGTYFNGIF-LBPRGKRZSA-N 0 3 237.347 1.183 20 30 BDEDHN C#CCCCCNC(=O)NCCN(C)C1CC1 ZINC000758766608 585359538 /nfs/dbraw/zinc/35/95/38/585359538.db2.gz NVINZPZGPCCVIH-UHFFFAOYSA-N 0 3 237.347 1.183 20 30 BDEDHN CCCOCC(=O)C(C#N)c1ccncn1 ZINC000760332869 585390485 /nfs/dbraw/zinc/39/04/85/585390485.db2.gz HKZFFOFSSOZSDJ-VIFPVBQESA-N 0 3 219.244 1.079 20 30 BDEDHN CCO[C@H](CC)C(=O)C(C#N)c1ccncn1 ZINC000760341623 585390812 /nfs/dbraw/zinc/39/08/12/585390812.db2.gz SPUICGMFDRVIFF-GXSJLCMTSA-N 0 3 233.271 1.468 20 30 BDEDHN CC[C@@H](C)OCC(=O)C(C#N)c1ccncn1 ZINC000760345731 585390898 /nfs/dbraw/zinc/39/08/98/585390898.db2.gz NBIONHVIWQYZCG-ZJUUUORDSA-N 0 3 233.271 1.468 20 30 BDEDHN C#CCCCC(=O)N(C)CCN(C)C1CC1 ZINC000760516263 585393667 /nfs/dbraw/zinc/39/36/67/585393667.db2.gz FSNHPFNJXNNYKW-UHFFFAOYSA-N 0 3 222.332 1.343 20 30 BDEDHN C#CCOCCN(C)CCc1cccs1 ZINC000761110596 585410344 /nfs/dbraw/zinc/41/03/44/585410344.db2.gz UCDAOQPBMIMPLG-UHFFFAOYSA-N 0 3 223.341 1.872 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCSC(C)C ZINC000805226820 585416611 /nfs/dbraw/zinc/41/66/11/585416611.db2.gz NEYZCTMDMOMTOZ-UHFFFAOYSA-N 0 3 230.377 1.362 20 30 BDEDHN CC(C#N)C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000761868976 585421254 /nfs/dbraw/zinc/42/12/54/585421254.db2.gz YWXDUGQXDHILKA-OPRDCNLKSA-N 0 3 236.271 1.367 20 30 BDEDHN C=CCN(CCOC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763791317 585454513 /nfs/dbraw/zinc/45/45/13/585454513.db2.gz VQXYGPAZOKJYFW-LLVKDONJSA-N 0 3 239.315 1.217 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@H](C)C1 ZINC000763902808 585456708 /nfs/dbraw/zinc/45/67/08/585456708.db2.gz RHFYMWCJKIBYIO-JTQLQIEISA-N 0 3 210.321 1.363 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000763953229 585457763 /nfs/dbraw/zinc/45/77/63/585457763.db2.gz UDXRODNUOHLVEW-UHFFFAOYSA-N 0 3 243.310 1.809 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCCC)C1CC1 ZINC000764266274 585463036 /nfs/dbraw/zinc/46/30/36/585463036.db2.gz PLWQJSOUDAGCEL-UHFFFAOYSA-N 0 3 224.348 1.895 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CC)CC(C)C ZINC000764255837 585463145 /nfs/dbraw/zinc/46/31/45/585463145.db2.gz XLPYMASKVRKSIJ-UHFFFAOYSA-N 0 3 212.337 1.609 20 30 BDEDHN C=C(CN(C)C)C(=O)NC(C)(CC)CC ZINC000764511074 585466976 /nfs/dbraw/zinc/46/69/76/585466976.db2.gz ZJKMBRGUIGLBJI-UHFFFAOYSA-N 0 3 212.337 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000764541212 585467508 /nfs/dbraw/zinc/46/75/08/585467508.db2.gz PWTJPPWXTSIPGY-RISCZKNCSA-N 0 3 249.358 1.693 20 30 BDEDHN C[C@H]1CCCN1CCNc1cc(C#N)ncn1 ZINC000764838930 585475484 /nfs/dbraw/zinc/47/54/84/585475484.db2.gz DDGGLMCZLBUOEK-JTQLQIEISA-N 0 3 231.303 1.244 20 30 BDEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2ccco2)C1 ZINC000765927720 585494058 /nfs/dbraw/zinc/49/40/58/585494058.db2.gz DKUGQQVHHIKOLN-UTUOFQBUSA-N 0 3 234.299 1.985 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000805323996 585499304 /nfs/dbraw/zinc/49/93/04/585499304.db2.gz WZQONLOSBHQBID-SNVBAGLBSA-N 0 3 210.321 1.409 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000805323991 585499616 /nfs/dbraw/zinc/49/96/16/585499616.db2.gz WZQONLOSBHQBID-JTQLQIEISA-N 0 3 210.321 1.409 20 30 BDEDHN C#CCCCN1CCC[C@@H]1C(=O)N(CC)CC ZINC000766894231 585509525 /nfs/dbraw/zinc/50/95/25/585509525.db2.gz ANMAJHSWZNQXGO-CYBMUJFWSA-N 0 3 236.359 1.733 20 30 BDEDHN C#CCCCN1CCN(CCOCC)CC1 ZINC000766896108 585509650 /nfs/dbraw/zinc/50/96/50/585509650.db2.gz PNHHRGCNJGOFJH-UHFFFAOYSA-N 0 3 224.348 1.054 20 30 BDEDHN C#CCC(C)(C)C(=O)NCCN(C)C1CC1 ZINC000767066968 585513239 /nfs/dbraw/zinc/51/32/39/585513239.db2.gz BTWHECROKQTRIN-UHFFFAOYSA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000767085370 585513724 /nfs/dbraw/zinc/51/37/24/585513724.db2.gz HOZWAYQPPAUWID-VXGBXAGGSA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000767092824 585513931 /nfs/dbraw/zinc/51/39/31/585513931.db2.gz YZYOJYCGFKLJTR-DGCLKSJQSA-N 0 3 248.370 1.635 20 30 BDEDHN C=C1CCN(C2CCN(C(C)=O)CC2)CC1 ZINC000769338651 585554362 /nfs/dbraw/zinc/55/43/62/585554362.db2.gz MZZSRLTVKCOWNY-UHFFFAOYSA-N 0 3 222.332 1.649 20 30 BDEDHN C[C@@H]1CNC(NN=C2CC[C@@H]2c2ccccc2)=N1 ZINC000769799032 585563889 /nfs/dbraw/zinc/56/38/89/585563889.db2.gz QUVRVTWXDOBBNQ-ZYHUDNBSSA-N 0 3 242.326 1.857 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1ccc(OCC(N)=O)cc1 ZINC000769962201 585567773 /nfs/dbraw/zinc/56/77/73/585567773.db2.gz CCXFDCKYJQTLGT-LLVKDONJSA-N 0 3 246.310 1.004 20 30 BDEDHN C#Cc1ccc(C(=O)OCCN(CC)CC)cn1 ZINC000772086095 585608143 /nfs/dbraw/zinc/60/81/43/585608143.db2.gz ACTQCYSIWRMAGC-UHFFFAOYSA-N 0 3 246.310 1.562 20 30 BDEDHN C=CCN(CCN1CCOC1=O)C1CC1 ZINC000772383139 585613871 /nfs/dbraw/zinc/61/38/71/585613871.db2.gz UFYFVHUQFPSNIA-UHFFFAOYSA-N 0 3 210.277 1.089 20 30 BDEDHN C=C(CC)CN1CCC(OC(C)=O)CC1 ZINC000773475243 585637666 /nfs/dbraw/zinc/63/76/66/585637666.db2.gz YJMRNQFRNNAWJC-UHFFFAOYSA-N 0 3 211.305 1.980 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C ZINC000773982849 585647678 /nfs/dbraw/zinc/64/76/78/585647678.db2.gz RXJPWXMTIXUORV-RKDXNWHRSA-N 0 3 224.304 1.514 20 30 BDEDHN C1C[C@H]2C(=NOC3CCOCC3)CCN2C1 ZINC000774440572 585659004 /nfs/dbraw/zinc/65/90/04/585659004.db2.gz HZBOMWBUIYMGBR-LBPRGKRZSA-N 0 3 224.304 1.406 20 30 BDEDHN C#C[C@H](NCc1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000775343309 585676099 /nfs/dbraw/zinc/67/60/99/585676099.db2.gz VZPROTGSQRNXSS-ZFWWWQNUSA-N 0 3 245.322 1.971 20 30 BDEDHN C#C[C@@H](NCCn1nc(C)cc1C)[C@H]1CCCO1 ZINC000775785557 585684779 /nfs/dbraw/zinc/68/47/79/585684779.db2.gz PRANZIPQFARMTJ-ZIAGYGMSSA-N 0 3 247.342 1.270 20 30 BDEDHN C#C[C@H](NCC[C@H]1CCCCO1)[C@H]1CCCO1 ZINC000775797020 585685040 /nfs/dbraw/zinc/68/50/40/585685040.db2.gz BTKZOYVCSJWWMN-HZSPNIEDSA-N 0 3 237.343 1.716 20 30 BDEDHN C#C[C@@H](NCC1(O)CCCCC1)[C@@H]1CCCO1 ZINC000775799665 585685190 /nfs/dbraw/zinc/68/51/90/585685190.db2.gz LNNUYNFUUWDQAB-OLZOCXBDSA-N 0 3 237.343 1.452 20 30 BDEDHN C#C[C@H](NCCOCCC(C)C)[C@H]1CCCO1 ZINC000775792919 585685239 /nfs/dbraw/zinc/68/52/39/585685239.db2.gz UFMHEQUOCPDMIE-UONOGXRCSA-N 0 3 239.359 1.820 20 30 BDEDHN C#C[C@@H](NCc1cccc(C)c1O)[C@@H]1CCCO1 ZINC000775999963 585689277 /nfs/dbraw/zinc/68/92/77/585689277.db2.gz JHILXGBCNAOVRQ-KGLIPLIRSA-N 0 3 245.322 1.971 20 30 BDEDHN CNC(=O)C1(NCCC(C)(C)C#N)CCCC1 ZINC000776592382 585702394 /nfs/dbraw/zinc/70/23/94/585702394.db2.gz NHDGRLXMPXTZTA-UHFFFAOYSA-N 0 3 237.347 1.575 20 30 BDEDHN C#CCCN1CCN(C[C@H](C)CC)CC1 ZINC000776595099 585702481 /nfs/dbraw/zinc/70/24/81/585702481.db2.gz CPXDGBFKGSOBSJ-CYBMUJFWSA-N 0 3 208.349 1.673 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000778735917 585739849 /nfs/dbraw/zinc/73/98/49/585739849.db2.gz BUAXRXAMKWQUEP-GFCCVEGCSA-N 0 3 248.330 1.202 20 30 BDEDHN CC(C)N(CC(=O)NCCC#N)C(C)C ZINC000778958261 585743122 /nfs/dbraw/zinc/74/31/22/585743122.db2.gz LEZPKQDSBRZMCN-UHFFFAOYSA-N 0 3 211.309 1.135 20 30 BDEDHN CC(Cc1ccccc1C)=NNC1=N[C@H](C)CN1 ZINC000779791431 585763802 /nfs/dbraw/zinc/76/38/02/585763802.db2.gz JCDFEORWPHLIFN-GFCCVEGCSA-N 0 3 244.342 1.851 20 30 BDEDHN CC(C)[C@@H]1CC(=NNC2=N[C@H](C)CN2)CCO1 ZINC000779792898 585764052 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CC#CCN(C)C[C@]1(O)CCc2ccccc21 ZINC000829337389 587493635 /nfs/dbraw/zinc/49/36/35/587493635.db2.gz GDCVXVMBKMBWLU-OAHLLOKOSA-N 0 3 229.323 1.776 20 30 BDEDHN C#CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC000829466844 587499142 /nfs/dbraw/zinc/49/91/42/587499142.db2.gz VXEHVDWSOCCZIS-CYBMUJFWSA-N 0 3 248.370 1.921 20 30 BDEDHN C#CC[C@@H]1CCCN(CC(=O)NC2CCCC2)C1 ZINC000829773925 587514994 /nfs/dbraw/zinc/51/49/94/587514994.db2.gz LHJWICPBZNHQFR-CYBMUJFWSA-N 0 3 248.370 1.781 20 30 BDEDHN C#CC[C@H]1CCCN(Cc2ccnn2C)C1 ZINC000829810317 587518689 /nfs/dbraw/zinc/51/86/89/587518689.db2.gz NTNMQWFNMFKWIV-LBPRGKRZSA-N 0 3 217.316 1.655 20 30 BDEDHN C#CC[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC000829815459 587519839 /nfs/dbraw/zinc/51/98/39/587519839.db2.gz MCICWVUNKVLLMW-ZDUSSCGKSA-N 0 3 231.343 1.964 20 30 BDEDHN C#CC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000830311859 587545538 /nfs/dbraw/zinc/54/55/38/587545538.db2.gz XYEQTMBURAASRW-LBPRGKRZSA-N 0 3 247.342 1.092 20 30 BDEDHN C#CC1CCN(CCn2ccccc2=O)CC1 ZINC000830321620 587545772 /nfs/dbraw/zinc/54/57/72/587545772.db2.gz UKVFBBSMQSOAAD-UHFFFAOYSA-N 0 3 230.311 1.194 20 30 BDEDHN CC[C@@H](NC(=O)C(C)C#N)C(=O)c1ccccc1 ZINC000831609153 587623301 /nfs/dbraw/zinc/62/33/01/587623301.db2.gz TVQZYFQFSMFVIK-CMPLNLGQSA-N 0 3 244.294 1.924 20 30 BDEDHN C=CCCCC(=O)NC[C@H](CN(C)C)OCC ZINC000831743199 587629832 /nfs/dbraw/zinc/62/98/32/587629832.db2.gz CIXGBPFWEXFVAJ-GFCCVEGCSA-N 0 3 242.363 1.426 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)C#Cc1cccs1 ZINC000832534811 587665619 /nfs/dbraw/zinc/66/56/19/587665619.db2.gz OKFPUJQEGWZCCV-JTQLQIEISA-N 0 3 236.340 1.166 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCS[C@@H](C)C1 ZINC000834650683 587762793 /nfs/dbraw/zinc/76/27/93/587762793.db2.gz QPVPHUCJGHEVPZ-QWRGUYRKSA-N 0 3 242.388 1.505 20 30 BDEDHN CC(C#N)C(=O)NCc1noc2ccccc12 ZINC000834692241 587764277 /nfs/dbraw/zinc/76/42/77/587764277.db2.gz ZBPVLZCLJUHIKJ-MRVPVSSYSA-N 0 3 229.239 1.604 20 30 BDEDHN C#C[C@H](N[C@H](C)Cc1cnccn1)[C@@H]1CCCO1 ZINC000834770131 587766435 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YRYFRWSFBLXAEI-CYBMUJFWSA-N 0 3 225.332 1.615 20 30 BDEDHN CC(=O)C1CCN(CCCSCC#N)CC1 ZINC000846952472 588298439 /nfs/dbraw/zinc/29/84/39/588298439.db2.gz YTXWJUMDQLAYRR-UHFFFAOYSA-N 0 3 240.372 1.934 20 30 BDEDHN CC[C@H](CC#N)NCCCN1CCOC1=O ZINC000846996987 588300940 /nfs/dbraw/zinc/30/09/40/588300940.db2.gz YYRQQHIBDMOTCP-SNVBAGLBSA-N 0 3 225.292 1.111 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)NC2CCN(C)CC2)C1 ZINC000847265273 588309967 /nfs/dbraw/zinc/30/99/67/588309967.db2.gz XHNFGLDQMZNKSF-LBPRGKRZSA-N 0 3 249.358 1.135 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)NCCN(C)C2CC2)C1 ZINC000847317226 588310941 /nfs/dbraw/zinc/31/09/41/588310941.db2.gz QAPHQJMFIQDNKV-LBPRGKRZSA-N 0 3 249.358 1.135 20 30 BDEDHN C#CCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847447750 588313042 /nfs/dbraw/zinc/31/30/42/588313042.db2.gz TYTRLVZXVITCKI-QWHCGFSZSA-N 0 3 249.358 1.278 20 30 BDEDHN c1cnc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848404600 588378293 /nfs/dbraw/zinc/37/82/93/588378293.db2.gz MPEVMDNMFBDSMK-LBPRGKRZSA-N 0 3 245.330 1.893 20 30 BDEDHN c1cc(N=NC2CCCN3CCCC[C@H]23)ncn1 ZINC000848412554 588380602 /nfs/dbraw/zinc/38/06/02/588380602.db2.gz UPCJUUAPORRBIN-GFCCVEGCSA-N 0 3 245.330 1.893 20 30 BDEDHN c1cn(CCCN=NC2CCN3CCC[C@H]23)cn1 ZINC000848418682 588382604 /nfs/dbraw/zinc/38/26/04/588382604.db2.gz PGZFKRAZPWFFEO-CYBMUJFWSA-N 0 3 247.346 1.087 20 30 BDEDHN C=CC[C@@H](CO)CNCc1cnc(Cl)n1C ZINC000848546582 588395139 /nfs/dbraw/zinc/39/51/39/588395139.db2.gz BSCLTNQKPABORV-SECBINFHSA-N 0 3 243.738 1.348 20 30 BDEDHN C=CC[C@H](CO)NCc1cnc(Cl)n1C ZINC000848546853 588396015 /nfs/dbraw/zinc/39/60/15/588396015.db2.gz HSCYZNBZYZRCAM-MRVPVSSYSA-N 0 3 229.711 1.100 20 30 BDEDHN CCNC(=NOC1CCCCC1)NCC ZINC000849214779 588461803 /nfs/dbraw/zinc/46/18/03/588461803.db2.gz PLICYPQRKOITLO-UHFFFAOYSA-N 0 3 213.325 1.826 20 30 BDEDHN C#CCOc1ccc(CN[C@@H]2C[C@]2(C)OC)cc1 ZINC000850408788 588544449 /nfs/dbraw/zinc/54/44/49/588544449.db2.gz FNODGGFWYPHEEB-CABCVRRESA-N 0 3 245.322 1.966 20 30 BDEDHN C=CCOCCCN[C@H](C)c1ncc[nH]1 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ZINC000309561302 385689017 /nfs/dbraw/zinc/68/90/17/385689017.db2.gz LCRBXPDBGLXIFE-JTQLQIEISA-N 0 3 218.304 1.765 20 30 BDEDHN CC(C#N)C(=O)NCC1CC(F)(F)C1 ZINC000307553936 385704454 /nfs/dbraw/zinc/70/44/54/385704454.db2.gz LWWAONRBYPYAJQ-ZCFIWIBFSA-N 0 3 202.204 1.308 20 30 BDEDHN N#Cc1cccc(CNCC2=CCOCC2)c1 ZINC000397763246 385706726 /nfs/dbraw/zinc/70/67/26/385706726.db2.gz QZUKMICGIPYZLW-UHFFFAOYSA-N 0 3 228.295 1.995 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601661329 385716033 /nfs/dbraw/zinc/71/60/33/385716033.db2.gz WQGFAHHRCJKDFX-AAEUAGOBSA-N 0 3 243.310 1.947 20 30 BDEDHN C=CC[C@@H](CO)N[C@H](C)c1cncc(C)c1 ZINC000184490987 385666963 /nfs/dbraw/zinc/66/69/63/385666963.db2.gz HYWWIYCNYSBNPR-YPMHNXCESA-N 0 3 220.316 1.978 20 30 BDEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000495795543 385740629 /nfs/dbraw/zinc/74/06/29/385740629.db2.gz POMVSBFNVUJPJN-WYUUTHIRSA-N 0 3 249.314 1.109 20 30 BDEDHN CN(C)C1(CNc2ccc(C#N)nc2)CC1 ZINC000397845021 385724582 /nfs/dbraw/zinc/72/45/82/385724582.db2.gz RUYMSQWVNMGQOY-UHFFFAOYSA-N 0 3 216.288 1.459 20 30 BDEDHN CN(Cc1ccc(C#N)cn1)CC1CCOCC1 ZINC000574137098 385839749 /nfs/dbraw/zinc/83/97/49/385839749.db2.gz KHCBRQPINAUZAD-UHFFFAOYSA-N 0 3 245.326 1.812 20 30 BDEDHN CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C)C1 ZINC000182168591 385850656 /nfs/dbraw/zinc/85/06/56/385850656.db2.gz PFCMIDIQNMOHSH-GFCCVEGCSA-N 0 3 246.314 1.053 20 30 BDEDHN CC(=O)N[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000408380656 385790319 /nfs/dbraw/zinc/79/03/19/385790319.db2.gz BOIDJSSSZCHBMD-UPJWGTAASA-N 0 3 235.331 1.279 20 30 BDEDHN C=CCCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000189463628 386010310 /nfs/dbraw/zinc/01/03/10/386010310.db2.gz FFANMTDLHOTODA-CYBMUJFWSA-N 0 3 240.391 1.730 20 30 BDEDHN CCOCCNCc1cc(C#N)cs1 ZINC000086500191 386161616 /nfs/dbraw/zinc/16/16/16/386161616.db2.gz DXXLYSRUGZBCSA-UHFFFAOYSA-N 0 3 210.302 1.746 20 30 BDEDHN C=C(CC)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425499946 386183342 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C=C(C)CCN1CCN(C(C)=O)C[C@@H]1C ZINC000274805021 387493958 /nfs/dbraw/zinc/49/39/58/387493958.db2.gz SIUPOOOHHFBMCX-NSHDSACASA-N 0 3 210.321 1.505 20 30 BDEDHN C=C(C)CCN(CCC)CC(=O)N(C)C ZINC000274805179 387494516 /nfs/dbraw/zinc/49/45/16/387494516.db2.gz WLWCEDQJSQVAHG-UHFFFAOYSA-N 0 3 212.337 1.753 20 30 BDEDHN C=C(C)CCN1CCc2nn(C)c(=O)cc2C1 ZINC000274819601 387495391 /nfs/dbraw/zinc/49/53/91/387495391.db2.gz XUSAZSGHGQMGBH-UHFFFAOYSA-N 0 3 233.315 1.105 20 30 BDEDHN C#CCN(C)CCCNc1nc(C)c(C)nc1C ZINC000396813571 387498842 /nfs/dbraw/zinc/49/88/42/387498842.db2.gz FCAUKNROHZJRQC-UHFFFAOYSA-N 0 3 246.358 1.769 20 30 BDEDHN CC#CCN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275155627 387499893 /nfs/dbraw/zinc/49/98/93/387499893.db2.gz YXKPQSXPCNYFQN-SECBINFHSA-N 0 3 248.248 1.010 20 30 BDEDHN Cc1cc(C#N)ccc1CN(C)CCO ZINC000186092303 387509868 /nfs/dbraw/zinc/50/98/68/387509868.db2.gz QSGVMBBBZLDUFQ-UHFFFAOYSA-N 0 3 204.273 1.291 20 30 BDEDHN C=C(C)CNCc1cnc(N(C)C)nc1 ZINC000275850325 387514087 /nfs/dbraw/zinc/51/40/87/387514087.db2.gz HULBDXPLDFECAA-UHFFFAOYSA-N 0 3 206.293 1.208 20 30 BDEDHN C=C[C@@](C)(CC)C(=O)NCC1=CCN(C)CC1 ZINC000275928089 387514693 /nfs/dbraw/zinc/51/46/93/387514693.db2.gz BVRUHODYGBSCRS-AWEZNQCLSA-N 0 3 236.359 1.967 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000424099357 387519373 /nfs/dbraw/zinc/51/93/73/387519373.db2.gz FNMPIEGCOAIIAP-AVGNSLFASA-N 0 3 249.358 1.799 20 30 BDEDHN N#Cc1ccc(CNCCCCO)cc1F ZINC000404117041 387468055 /nfs/dbraw/zinc/46/80/55/387468055.db2.gz GGUMPLNTGLOYSL-UHFFFAOYSA-N 0 3 222.263 1.559 20 30 BDEDHN C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424075736 387477530 /nfs/dbraw/zinc/47/75/30/387477530.db2.gz KGELDHUCQCVFMX-WDEREUQCSA-N 0 3 223.320 1.266 20 30 BDEDHN CCC(CC)NC(=O)[C@@H](N)CCCC#N ZINC000424073921 387478124 /nfs/dbraw/zinc/47/81/24/387478124.db2.gz GCJXZUGONLYSRI-JTQLQIEISA-N 0 3 211.309 1.312 20 30 BDEDHN CC(=O)CN(CC(C)C)C(=O)C(C)C#N ZINC000421905426 387478508 /nfs/dbraw/zinc/47/85/08/387478508.db2.gz MHXLEDGZNNLJSR-SECBINFHSA-N 0 3 210.277 1.220 20 30 BDEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424077069 387480179 /nfs/dbraw/zinc/48/01/79/387480179.db2.gz NHKVNQKSKAWMIW-AAEUAGOBSA-N 0 3 245.326 1.885 20 30 BDEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424082186 387486743 /nfs/dbraw/zinc/48/67/43/387486743.db2.gz WEANKXITFFIREE-GFCCVEGCSA-N 0 3 231.299 1.955 20 30 BDEDHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424123128 387588568 /nfs/dbraw/zinc/58/85/68/387588568.db2.gz LINGQFRUAIBMCM-UTUOFQBUSA-N 0 3 237.347 1.702 20 30 BDEDHN C[C@H]1CN(C(=O)[C@H](N)CCCC#N)C(C)(C)C1 ZINC000424124110 387593820 /nfs/dbraw/zinc/59/38/20/387593820.db2.gz LWOKRHDYWBRETR-GHMZBOCLSA-N 0 3 237.347 1.655 20 30 BDEDHN C=CCNC(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430268786 387604959 /nfs/dbraw/zinc/60/49/59/387604959.db2.gz OBXSSZOUJPQTHU-JQWIXIFHSA-N 0 3 222.332 1.575 20 30 BDEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000527535280 387629389 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/nfs/dbraw/zinc/11/91/05/584119105.db2.gz HYZQVHMLHHSZLF-NSHDSACASA-N 0 3 238.335 1.074 20 30 BDEDHN C=C1CN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000898703669 584152483 /nfs/dbraw/zinc/15/24/83/584152483.db2.gz VVMBCRGRXKNLQC-SNVBAGLBSA-N 0 3 208.305 1.258 20 30 BDEDHN C=CCCC[C@H](N)c1nc([C@@H]2CCCN2)no1 ZINC000900010340 584265526 /nfs/dbraw/zinc/26/55/26/584265526.db2.gz QDCNCRMMMKFDBD-UWVGGRQHSA-N 0 3 236.319 1.850 20 30 BDEDHN N#CC[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858621506 588971321 /nfs/dbraw/zinc/97/13/21/588971321.db2.gz UCRMNWIDVYRKIH-NSHDSACASA-N 0 3 231.299 1.704 20 30 BDEDHN C[C@H]1CC(N=Nc2ccnn2C)CCN1C ZINC000901220075 584403070 /nfs/dbraw/zinc/40/30/70/584403070.db2.gz JGTJEJNRIUMNJZ-VIFPVBQESA-N 0 3 221.308 1.302 20 30 BDEDHN CC(=NN[C@@H]1CCCC1(C)C)c1c[nH]c(N)n1 ZINC000901232245 584404482 /nfs/dbraw/zinc/40/44/82/584404482.db2.gz WCLPMDZAZNVOFX-SNVBAGLBSA-N 0 3 235.335 1.884 20 30 BDEDHN CCNN=C1CCCc2cc(N)ccc21 ZINC000901282591 584415410 /nfs/dbraw/zinc/41/54/10/584415410.db2.gz MFDDZWLWWSNDLY-UHFFFAOYSA-N 0 3 203.289 1.919 20 30 BDEDHN Cc1cc(NN=Cc2nccn2C2CC2)ccn1 ZINC000901267137 584418194 /nfs/dbraw/zinc/41/81/94/584418194.db2.gz FUULJBXKLQQLJL-UHFFFAOYSA-N 0 3 241.298 1.789 20 30 BDEDHN C#CCCOC(=O)NC[C@H](C)N1CCCC1 ZINC000858899974 588982430 /nfs/dbraw/zinc/98/24/30/588982430.db2.gz JMLZTHYKOMIQTP-NSHDSACASA-N 0 3 224.304 1.220 20 30 BDEDHN C#CCCOC(=O)NC[C@@H](C)N1CCCC1 ZINC000858899973 588982478 /nfs/dbraw/zinc/98/24/78/588982478.db2.gz JMLZTHYKOMIQTP-LLVKDONJSA-N 0 3 224.304 1.220 20 30 BDEDHN C#CCCOC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000858934948 588986507 /nfs/dbraw/zinc/98/65/07/588986507.db2.gz CTLIZTAXGJQIEK-LBPRGKRZSA-N 0 3 236.315 1.316 20 30 BDEDHN C#CCCOC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000858961589 588987145 /nfs/dbraw/zinc/98/71/45/588987145.db2.gz QTVPDVPFACITLA-GFCCVEGCSA-N 0 3 236.315 1.220 20 30 BDEDHN C#CCCOC(=O)NC[C@H]1CCCCN1CC ZINC000858971380 588987738 /nfs/dbraw/zinc/98/77/38/588987738.db2.gz ALGIANSTSFJKHH-GFCCVEGCSA-N 0 3 238.331 1.610 20 30 BDEDHN C#CCCOC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000859057161 588994887 /nfs/dbraw/zinc/99/48/87/588994887.db2.gz BGHYPXDDVSJLCM-MNOVXSKESA-N 0 3 236.315 1.361 20 30 BDEDHN C#CCCOC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000859062568 588996017 /nfs/dbraw/zinc/99/60/17/588996017.db2.gz RCQQLVHNOMEIIH-JQWIXIFHSA-N 0 3 236.315 1.219 20 30 BDEDHN C=CC[C@H](CO)CNCc1cn(CC)cn1 ZINC000902456079 584609195 /nfs/dbraw/zinc/60/91/95/584609195.db2.gz NONRJPXQNFXPPB-NSHDSACASA-N 0 3 223.320 1.177 20 30 BDEDHN C[C@@H](NCC1(C)COC1)c1cc(C#N)ccn1 ZINC000902802671 584671473 /nfs/dbraw/zinc/67/14/73/584671473.db2.gz QFJPTNDLGOZCNF-SNVBAGLBSA-N 0 3 231.299 1.640 20 30 BDEDHN CC(C)[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902805489 584671835 /nfs/dbraw/zinc/67/18/35/584671835.db2.gz AGHMEWGXWFSQQE-GXFFZTMASA-N 0 3 233.315 1.621 20 30 BDEDHN CC(C)N(C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902786913 584672225 /nfs/dbraw/zinc/67/22/25/584672225.db2.gz VAXCPIRGEYYDAC-LBPRGKRZSA-N 0 3 246.358 1.944 20 30 BDEDHN C[C@H](N[C@@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000902888364 584689845 /nfs/dbraw/zinc/68/98/45/584689845.db2.gz SRORWFBGFXFEMB-GXFFZTMASA-N 0 3 245.326 1.765 20 30 BDEDHN C#CCCOC(=O)NCCN1CCC[C@@H]1C ZINC000859120637 589004960 /nfs/dbraw/zinc/00/49/60/589004960.db2.gz BSIRXSHVNFSWJR-NSHDSACASA-N 0 3 224.304 1.220 20 30 BDEDHN CO[C@@H](C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902966765 584702560 /nfs/dbraw/zinc/70/25/60/584702560.db2.gz JDBJZGQUJJFYPW-VHSXEESVSA-N 0 3 219.288 1.639 20 30 BDEDHN C[C@H](NCC1(CO)CCC1)c1cc(C#N)ccn1 ZINC000902952348 584704601 /nfs/dbraw/zinc/70/46/01/584704601.db2.gz WGJNCSAHXMCUQX-NSHDSACASA-N 0 3 245.326 1.766 20 30 BDEDHN C[C@@H](O)CCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902976275 584707603 /nfs/dbraw/zinc/70/76/03/584707603.db2.gz NQHFTQSXRIXVSC-MNOVXSKESA-N 0 3 233.315 1.765 20 30 BDEDHN COCC[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902979217 584707763 /nfs/dbraw/zinc/70/77/63/584707763.db2.gz PTIYCOJAOJUCNQ-ZYHUDNBSSA-N 0 3 249.314 1.001 20 30 BDEDHN CC(C)[C@H](CO)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902987934 584708716 /nfs/dbraw/zinc/70/87/16/584708716.db2.gz LSOHDCQUQKVPIU-AAEUAGOBSA-N 0 3 247.342 1.868 20 30 BDEDHN C=CCCN1CC[C@H](Nc2ncccn2)C1 ZINC000903018378 584713749 /nfs/dbraw/zinc/71/37/49/584713749.db2.gz AIHCMFSONYRULF-NSHDSACASA-N 0 3 218.304 1.539 20 30 BDEDHN C=C(C)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903018636 584713799 /nfs/dbraw/zinc/71/37/99/584713799.db2.gz DEMTXMYZSORKQJ-LLVKDONJSA-N 0 3 218.304 1.539 20 30 BDEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H](C)O ZINC000903008685 584717265 /nfs/dbraw/zinc/71/72/65/584717265.db2.gz RYGFZJMHHBYEDF-SCVCMEIPSA-N 0 3 233.315 1.763 20 30 BDEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H](C)O ZINC000903008682 584717470 /nfs/dbraw/zinc/71/74/70/584717470.db2.gz RYGFZJMHHBYEDF-FOGDFJRCSA-N 0 3 233.315 1.763 20 30 BDEDHN COC1([C@@H](C)NCC2(C#N)CC2)CCOCC1 ZINC000903105555 584727993 /nfs/dbraw/zinc/72/79/93/584727993.db2.gz DSIBUPNNCMVJMJ-LLVKDONJSA-N 0 3 238.331 1.464 20 30 BDEDHN N#CC1(CN[C@@H]2CCC23CCOCC3)CC1 ZINC000903106409 584728712 /nfs/dbraw/zinc/72/87/12/584728712.db2.gz PLVYZCJCDSVYFX-LLVKDONJSA-N 0 3 220.316 1.839 20 30 BDEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903095196 584729189 /nfs/dbraw/zinc/72/91/89/584729189.db2.gz SQCCSPLDVMWJOE-YPMHNXCESA-N 0 3 245.326 1.931 20 30 BDEDHN C#C[C@H](N[C@@H]1CCC[C@@H]1OC)[C@H]1CCCO1 ZINC000903151492 584732052 /nfs/dbraw/zinc/73/20/52/584732052.db2.gz GBKSEPZVVTUXKB-QNWHQSFQSA-N 0 3 223.316 1.324 20 30 BDEDHN COCCC[C@H](C)NCc1nc(C#N)cs1 ZINC000903263964 584740739 /nfs/dbraw/zinc/74/07/39/584740739.db2.gz PJLKXTSUQBYJJS-VIFPVBQESA-N 0 3 239.344 1.919 20 30 BDEDHN C=C1CC(c2noc(C[C@@H]3CCN(C)C3)n2)C1 ZINC000904107959 584841702 /nfs/dbraw/zinc/84/17/02/584841702.db2.gz BWHZHWUHLDGTTJ-JTQLQIEISA-N 0 3 233.315 1.997 20 30 BDEDHN C[C@@H](CO)N(C)N=C1CCc2cc(N)ccc21 ZINC000842539303 584900594 /nfs/dbraw/zinc/90/05/94/584900594.db2.gz UPCYQFHMWVOPHL-VIFPVBQESA-N 0 3 233.315 1.232 20 30 BDEDHN C=CC[C@@H](C)NC(=S)NC1CCN(C)CC1 ZINC000734986371 584970912 /nfs/dbraw/zinc/97/09/12/584970912.db2.gz KUUWJSPDXDELTG-SNVBAGLBSA-N 0 3 241.404 1.509 20 30 BDEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000736669184 585009041 /nfs/dbraw/zinc/00/90/41/585009041.db2.gz YJSASGQOMZBKHY-QMMMGPOBSA-N 0 3 237.690 1.853 20 30 BDEDHN CC(C#N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000736668863 585009062 /nfs/dbraw/zinc/00/90/62/585009062.db2.gz JJZOEPRZEQIACN-KCJUWKMLSA-N 0 3 236.246 1.135 20 30 BDEDHN C=C(CO)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000838278792 585053104 /nfs/dbraw/zinc/05/31/04/585053104.db2.gz FRSADTOEUGRGRW-UHFFFAOYSA-N 0 3 248.326 1.544 20 30 BDEDHN C[C@H](C#N)OC(=O)C1CN(C2CCCCC2)C1 ZINC000838464965 585059022 /nfs/dbraw/zinc/05/90/22/585059022.db2.gz VRCWNXJYFHXMEM-SNVBAGLBSA-N 0 3 236.315 1.706 20 30 BDEDHN C#C[C@H](C)NCC(C)(C)CC(=O)OCC ZINC000839088097 585090512 /nfs/dbraw/zinc/09/05/12/585090512.db2.gz MNQBPXZUQATEET-JTQLQIEISA-N 0 3 211.305 1.577 20 30 BDEDHN C#C[C@H](C)N[C@@H]1C[C@H](OCC)[C@H]1SC ZINC000839088024 585090596 /nfs/dbraw/zinc/09/05/96/585090596.db2.gz KTYVCIGKPLKFRA-VLEAKVRGSA-N 0 3 213.346 1.507 20 30 BDEDHN CC(C#N)C(=O)NC[C@@](C)(O)c1cccs1 ZINC000740174467 585097566 /nfs/dbraw/zinc/09/75/66/585097566.db2.gz FPINDYINDZCDJF-LDYMZIIASA-N 0 3 238.312 1.231 20 30 BDEDHN C[C@@H]1CC(=NNCC(F)F)CCN1C ZINC000741460475 585114305 /nfs/dbraw/zinc/11/43/05/585114305.db2.gz NKSPAXAOXUGXKQ-SSDOTTSWSA-N 0 3 205.252 1.311 20 30 BDEDHN C=CCNC(=S)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000741485210 585114696 /nfs/dbraw/zinc/11/46/96/585114696.db2.gz IBOPALPPRRELKX-GHMZBOCLSA-N 0 3 241.404 1.461 20 30 BDEDHN C#CCNC(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC000741794473 585119746 /nfs/dbraw/zinc/11/97/46/585119746.db2.gz UTMFTWMCITXSOO-NWDGAFQWSA-N 0 3 222.332 1.246 20 30 BDEDHN C[C@@H]1CCCN1CCNCc1ccc(C#N)o1 ZINC000742387747 585125525 /nfs/dbraw/zinc/12/55/25/585125525.db2.gz VSDNPJJMKHEQCX-LLVKDONJSA-N 0 3 233.315 1.725 20 30 BDEDHN C=CCNC(=S)NCCN1CCC[C@@H]1C ZINC000743017719 585132627 /nfs/dbraw/zinc/13/26/27/585132627.db2.gz YTNQYMMUXIMOMZ-JTQLQIEISA-N 0 3 227.377 1.121 20 30 BDEDHN C#CC[C@@H]1CCN([C@@H]2CCN(CC=C)C2=O)C1 ZINC000886364139 585134458 /nfs/dbraw/zinc/13/44/58/585134458.db2.gz PPONASZCXPJVKW-CHWSQXEVSA-N 0 3 232.327 1.119 20 30 BDEDHN C#CC[C@H]1CCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000886365996 585134676 /nfs/dbraw/zinc/13/46/76/585134676.db2.gz UXFZZZSFBBWSIZ-GXTWGEPZSA-N 0 3 246.354 1.485 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744030250 585142327 /nfs/dbraw/zinc/14/23/27/585142327.db2.gz BQIUAJLCJYDNIR-UWVGGRQHSA-N 0 3 246.266 1.394 20 30 BDEDHN C=C(Cl)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000745856370 585161059 /nfs/dbraw/zinc/16/10/59/585161059.db2.gz CFZACPGQKJUHFX-VHSXEESVSA-N 0 3 245.754 1.521 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000748323141 585190806 /nfs/dbraw/zinc/19/08/06/585190806.db2.gz XMJQGNCSZQLYGP-LBPRGKRZSA-N 0 3 248.330 1.202 20 30 BDEDHN C=CCNC(=S)N1CCCN(CC)CC1 ZINC000748593345 585194445 /nfs/dbraw/zinc/19/44/45/585194445.db2.gz WMEFUJXYHJIMPF-UHFFFAOYSA-N 0 3 227.377 1.075 20 30 BDEDHN N=C(N)NN=C1CCc2c1c(F)ccc2F ZINC000749612219 585204199 /nfs/dbraw/zinc/20/41/99/585204199.db2.gz LSHUHILOGDZSNM-UHFFFAOYSA-N 0 3 224.214 1.098 20 30 BDEDHN C[C@@H](CO)NN=Cc1ccc(N(C)C)cc1 ZINC000749817038 585206944 /nfs/dbraw/zinc/20/69/44/585206944.db2.gz XWIWNJJZMZWQQE-JTQLQIEISA-N 0 3 221.304 1.057 20 30 BDEDHN CC(=NNC(=N)N)c1sc(C(C)C)nc1C ZINC000751127563 585224491 /nfs/dbraw/zinc/22/44/91/585224491.db2.gz OPPWMLLDHZJAQP-UHFFFAOYSA-N 0 3 239.348 1.782 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753803609 585269713 /nfs/dbraw/zinc/26/97/13/585269713.db2.gz WMZOODDZJGWKGG-MRVPVSSYSA-N 0 3 242.225 1.043 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000753933970 585272042 /nfs/dbraw/zinc/27/20/42/585272042.db2.gz DTEAAOHAJFVZBS-TXEJJXNPSA-N 0 3 243.314 1.276 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000753933969 585272280 /nfs/dbraw/zinc/27/22/80/585272280.db2.gz DTEAAOHAJFVZBS-RYUDHWBXSA-N 0 3 243.314 1.276 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccco1 ZINC000753941036 585272543 /nfs/dbraw/zinc/27/25/43/585272543.db2.gz WHMNGSJCVDFQMW-PHIMTYICSA-N 0 3 232.287 1.474 20 30 BDEDHN C=CCNC(=S)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000753963969 585273622 /nfs/dbraw/zinc/27/36/22/585273622.db2.gz QZGNZLAIRSZSBP-UWVGGRQHSA-N 0 3 239.388 1.262 20 30 BDEDHN C=C[C@H](C)NC(=S)NC[C@@H]1CCCN1CC ZINC000756796010 585323441 /nfs/dbraw/zinc/32/34/41/585323441.db2.gz JVEXTOQCIGLKGH-QWRGUYRKSA-N 0 3 241.404 1.509 20 30 BDEDHN C=C(Cl)CN[C@H](CC(=O)OC)C1CC1 ZINC000839550127 585330207 /nfs/dbraw/zinc/33/02/07/585330207.db2.gz AEZLJHZGVSLWQZ-SECBINFHSA-N 0 3 217.696 1.670 20 30 BDEDHN C#C[C@@H](NCCc1ccccn1)[C@@H]1CCCO1 ZINC000839562772 585331292 /nfs/dbraw/zinc/33/12/92/585331292.db2.gz CCMDTEKKQCQTOO-KGLIPLIRSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@H](NCCC1(O)CCC1)[C@H]1CCCO1 ZINC000839563634 585331295 /nfs/dbraw/zinc/33/12/95/585331295.db2.gz KLYRGBUOHXCJQU-NWDGAFQWSA-N 0 3 223.316 1.062 20 30 BDEDHN C#CCCN1CCCc2c(cnn2C)C1 ZINC000839625379 585332553 /nfs/dbraw/zinc/33/25/53/585332553.db2.gz QGTCOPIXSHHFOF-UHFFFAOYSA-N 0 3 203.289 1.192 20 30 BDEDHN C=CCNC(=S)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757539737 585340839 /nfs/dbraw/zinc/34/08/39/585340839.db2.gz BLOZTWMKEQBJKV-MWLCHTKSSA-N 0 3 239.388 1.119 20 30 BDEDHN CC(C)N1CC(=NOCC(F)F)[C@H](C)C1 ZINC000758899643 585361854 /nfs/dbraw/zinc/36/18/54/585361854.db2.gz KCENXYOSTCPQDH-MRVPVSSYSA-N 0 3 220.263 1.984 20 30 BDEDHN C#CCNC(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000759392978 585372104 /nfs/dbraw/zinc/37/21/04/585372104.db2.gz UGVCSYQEPMHJCV-ZDUSSCGKSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000760306595 585389874 /nfs/dbraw/zinc/38/98/74/585389874.db2.gz FPOOLUCEXSKVOB-CYBMUJFWSA-N 0 3 234.343 1.390 20 30 BDEDHN CC(C)SCC(=O)C(C#N)c1ccncn1 ZINC000760353626 585390026 /nfs/dbraw/zinc/39/00/26/585390026.db2.gz QTJWMIUPOZYISE-SECBINFHSA-N 0 3 235.312 1.794 20 30 BDEDHN CCC1(C(=O)C(C#N)c2ccncn2)COC1 ZINC000760343017 585390706 /nfs/dbraw/zinc/39/07/06/585390706.db2.gz ZXJGZAYSZGAJTK-VIFPVBQESA-N 0 3 231.255 1.079 20 30 BDEDHN C#CCCN1CCC[C@H]1C(=O)N(CC)CC ZINC000760817768 585397978 /nfs/dbraw/zinc/39/79/78/585397978.db2.gz FSVIVUPZVNCFHR-LBPRGKRZSA-N 0 3 222.332 1.343 20 30 BDEDHN C#CCCN1CCC(O[C@@H]2CCOC2)CC1 ZINC000760845275 585399660 /nfs/dbraw/zinc/39/96/60/585399660.db2.gz ZGOOJBQFTOZPRH-CYBMUJFWSA-N 0 3 223.316 1.280 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(OC)nc1 ZINC000763899425 585456612 /nfs/dbraw/zinc/45/66/12/585456612.db2.gz DSSKLWDNNDKBRI-UHFFFAOYSA-N 0 3 235.287 1.147 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCOC(C)C ZINC000763923002 585457013 /nfs/dbraw/zinc/45/70/13/585457013.db2.gz MQFLNAHQICNQMX-UHFFFAOYSA-N 0 3 228.336 1.036 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCOCCCC ZINC000763918554 585457115 /nfs/dbraw/zinc/45/71/15/585457115.db2.gz IEDVRXVYSTYJIA-UHFFFAOYSA-N 0 3 242.363 1.427 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000764171272 585460915 /nfs/dbraw/zinc/46/09/15/585460915.db2.gz KUAOJRAEZRSPNJ-UHFFFAOYSA-N 0 3 243.310 1.292 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCCC1(C)C ZINC000764586318 585468463 /nfs/dbraw/zinc/46/84/63/585468463.db2.gz YRAOEDAKPZOSLN-UHFFFAOYSA-N 0 3 210.321 1.505 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000764613552 585469177 /nfs/dbraw/zinc/46/91/77/585469177.db2.gz PWHGGWWYKCNCAG-STQMWFEESA-N 0 3 236.359 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC[C@@H]1CCCCO1 ZINC000764667486 585470462 /nfs/dbraw/zinc/47/04/62/585470462.db2.gz RSMMLNSSBPKZEG-LBPRGKRZSA-N 0 3 240.347 1.180 20 30 BDEDHN C#CCNC(=O)CCN[C@H]1CCc2ccccc21 ZINC000765507584 585488571 /nfs/dbraw/zinc/48/85/71/585488571.db2.gz QNTCZIDBDZQTFM-AWEZNQCLSA-N 0 3 242.322 1.403 20 30 BDEDHN CC#CC(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000805332444 585504454 /nfs/dbraw/zinc/50/44/54/585504454.db2.gz VMBHZZYXQAKMIP-NWDGAFQWSA-N 0 3 220.316 1.095 20 30 BDEDHN C#CCCCN(C)C1(C(=O)OC)CCCC1 ZINC000766923380 585511671 /nfs/dbraw/zinc/51/16/71/585511671.db2.gz NROROBAQUIMBQG-UHFFFAOYSA-N 0 3 223.316 1.817 20 30 BDEDHN C[C@H]1C(N=NC(=N)N)C[C@@H]1c1ccccc1 ZINC000767743341 585525383 /nfs/dbraw/zinc/52/53/83/585525383.db2.gz IKZBAERNJPISDB-SCZZXKLOSA-N 0 3 216.288 1.649 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CCCC#CC ZINC000767960034 585528851 /nfs/dbraw/zinc/52/88/51/585528851.db2.gz OLTDTVWRUFZZDW-LLVKDONJSA-N 0 3 232.283 1.191 20 30 BDEDHN Cc1cccc([C@H](O)CNC(=O)C(C)C#N)c1 ZINC000768305564 585535462 /nfs/dbraw/zinc/53/54/62/585535462.db2.gz AYAQJHNASUQKST-ZYHUDNBSSA-N 0 3 232.283 1.304 20 30 BDEDHN C=CCCCCNC(=S)NCCN(C)C ZINC000769759854 585563156 /nfs/dbraw/zinc/56/31/56/585563156.db2.gz HQIGJWAKUDSCSJ-UHFFFAOYSA-N 0 3 229.393 1.368 20 30 BDEDHN C#CCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769897967 585566193 /nfs/dbraw/zinc/56/61/93/585566193.db2.gz KMTDKMUHSSNTAB-ZJUUUORDSA-N 0 3 235.249 1.645 20 30 BDEDHN C#CCOCCC(=O)OCCN1CCCCC1 ZINC000770399600 585573819 /nfs/dbraw/zinc/57/38/19/585573819.db2.gz OCWWCVNDTHEGCW-UHFFFAOYSA-N 0 3 239.315 1.055 20 30 BDEDHN OC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC000771818457 585601368 /nfs/dbraw/zinc/60/13/68/585601368.db2.gz JLPDJWHFAURWJD-CQSZACIVSA-N 0 3 233.286 1.538 20 30 BDEDHN N#Cc1ccc(CN[C@@H](CO)C2CC2)c(F)c1 ZINC000772920509 585627539 /nfs/dbraw/zinc/62/75/39/585627539.db2.gz GMDWPNLDLMXTBK-ZDUSSCGKSA-N 0 3 234.274 1.558 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000773930161 585646356 /nfs/dbraw/zinc/64/63/56/585646356.db2.gz AJEZCDMVYQDQIU-CYBMUJFWSA-N 0 3 236.359 1.895 20 30 BDEDHN CC1(C)OCC(N[C@@H]2CCC[C@H](C#N)C2)CO1 ZINC000774347890 585656872 /nfs/dbraw/zinc/65/68/72/585656872.db2.gz LRRQMWRTNWNLML-WDEREUQCSA-N 0 3 238.331 1.810 20 30 BDEDHN CCOCCON=C1CCN(CC)C[C@@H]1C ZINC000774432641 585658493 /nfs/dbraw/zinc/65/84/93/585658493.db2.gz JXRMKWHTBUPTAJ-NSHDSACASA-N 0 3 228.336 1.757 20 30 BDEDHN C#C[C@H](NCc1cc(C)ccc1O)[C@H]1CCCO1 ZINC000775343304 585676227 /nfs/dbraw/zinc/67/62/27/585676227.db2.gz VZPROTGSQRNXSS-DZGCQCFKSA-N 0 3 245.322 1.971 20 30 BDEDHN C#C[C@H](C)NC(=O)[C@H](CC)N(CC)CC ZINC000775382838 585676809 /nfs/dbraw/zinc/67/68/09/585676809.db2.gz ZYFNTVFLIWDKBU-QWRGUYRKSA-N 0 3 210.321 1.245 20 30 BDEDHN C#C[C@H](N[C@H](CCCC)COC)[C@H]1CCCO1 ZINC000775572987 585680604 /nfs/dbraw/zinc/68/06/04/585680604.db2.gz VVQOOAKRJNRQHF-HZSPNIEDSA-N 0 3 239.359 1.962 20 30 BDEDHN C#C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCCO1 ZINC000775574014 585680628 /nfs/dbraw/zinc/68/06/28/585680628.db2.gz MZPSBSUVWHPBNM-RJZRQDKASA-N 0 3 248.370 1.382 20 30 BDEDHN C=C(C)CCN(C)[C@@H]1CCCCNC1=O ZINC000775594403 585681156 /nfs/dbraw/zinc/68/11/56/585681156.db2.gz UQGZYIYMZQZLTG-LLVKDONJSA-N 0 3 210.321 1.553 20 30 BDEDHN C#C[C@H](NCCc1ccccc1)[C@H]1CCCO1 ZINC000775784138 585684652 /nfs/dbraw/zinc/68/46/52/585684652.db2.gz HBLYCYCFFUZFFQ-LSDHHAIUSA-N 0 3 229.323 2.000 20 30 BDEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1=NO[C@@H](C)C1 ZINC000777435741 585711900 /nfs/dbraw/zinc/71/19/00/585711900.db2.gz KOVLXWVJLPJXDY-AEJSXWLSSA-N 0 3 239.319 1.098 20 30 BDEDHN CC(=NNC1=NC[C@H](C)N1)c1sccc1C ZINC000779790876 585763688 /nfs/dbraw/zinc/76/36/88/585763688.db2.gz BVJRLBFRCYTTEE-QMMMGPOBSA-N 0 3 236.344 1.718 20 30 BDEDHN C[C@@H]1CN=C(NN=C2c3ccccc3C[C@@H]2C)N1 ZINC000779792861 585763972 /nfs/dbraw/zinc/76/39/72/585763972.db2.gz VMRXBXWMJFEENM-VHSXEESVSA-N 0 3 242.326 1.520 20 30 BDEDHN CC(CSC(C)(C)C)=NNC1=N[C@H](C)CN1 ZINC000779795313 585764314 /nfs/dbraw/zinc/76/43/14/585764314.db2.gz RVOKUUVZWLOQMR-MRVPVSSYSA-N 0 3 242.392 1.831 20 30 BDEDHN Cc1ccsc1C=NNC1=NC[C@H](C)N1 ZINC000779799328 585764771 /nfs/dbraw/zinc/76/47/71/585764771.db2.gz KBQPKUVPJIHGQV-QMMMGPOBSA-N 0 3 222.317 1.328 20 30 BDEDHN c1cc2n(c1)CCC2N=Nc1ccncc1 ZINC000779811077 585766400 /nfs/dbraw/zinc/76/64/00/585766400.db2.gz CNFITNGOJGDZIM-UHFFFAOYSA-N 0 3 212.256 1.525 20 30 BDEDHN COc1cccc(N=NC2CCN3CCC[C@@H]23)n1 ZINC000779816601 585766801 /nfs/dbraw/zinc/76/68/01/585766801.db2.gz HMRBJWZNQOENAA-NSHDSACASA-N 0 3 246.314 1.726 20 30 BDEDHN C[C@@H]1CC(=NN[C@@H]2CCCOC2)CCN1C ZINC000780250937 585774965 /nfs/dbraw/zinc/77/49/65/585774965.db2.gz LYQHDWCUISAMPS-ZYHUDNBSSA-N 0 3 225.336 1.225 20 30 BDEDHN C#CCCCCCC(=O)N1CCNC(C)(C)C1 ZINC000780964946 585787561 /nfs/dbraw/zinc/78/75/61/585787561.db2.gz YFKORIMZKDMYOQ-UHFFFAOYSA-N 0 3 236.359 1.781 20 30 BDEDHN Fc1cc(N=NC2CCN3CCC[C@H]23)ccn1 ZINC000781130148 585791211 /nfs/dbraw/zinc/79/12/11/585791211.db2.gz OWLPJFGAGUGYJD-LLVKDONJSA-N 0 3 234.278 1.857 20 30 BDEDHN C#CCCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000782004298 585806391 /nfs/dbraw/zinc/80/63/91/585806391.db2.gz KGZTUUFSMCISDY-CYBMUJFWSA-N 0 3 238.375 1.177 20 30 BDEDHN N=C(N)NN=Cc1ccc2cnccc2c1 ZINC000782188868 585811152 /nfs/dbraw/zinc/81/11/52/585811152.db2.gz ZJNHZMVUPMODRH-UHFFFAOYSA-N 0 3 213.244 1.052 20 30 BDEDHN C=CCNC(=S)N(C)CC1(N(C)C)CCC1 ZINC000782211998 585812125 /nfs/dbraw/zinc/81/21/25/585812125.db2.gz NYSHPAFXXYNQQP-UHFFFAOYSA-N 0 3 241.404 1.463 20 30 BDEDHN C#CCNC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000784349058 585856422 /nfs/dbraw/zinc/85/64/22/585856422.db2.gz MJDRADLVGMXIPF-NSHDSACASA-N 0 3 222.332 1.104 20 30 BDEDHN C[C@H]1CN(CC(=O)NCCC#N)CC(C)(C)C1 ZINC000784347226 585856434 /nfs/dbraw/zinc/85/64/34/585856434.db2.gz BTAMFBJGNKXBCB-LLVKDONJSA-N 0 3 237.347 1.384 20 30 BDEDHN Cc1cc(C(F)(F)F)ccc1C=NNC(=N)N ZINC000785452308 585874014 /nfs/dbraw/zinc/87/40/14/585874014.db2.gz DMJKLTADOIKFDT-UHFFFAOYSA-N 0 3 244.220 1.831 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)OC)[C@H]1C ZINC000787326650 585907184 /nfs/dbraw/zinc/90/71/84/585907184.db2.gz JCDIGJFAUSLCGK-TUAOUCFPSA-N 0 3 223.316 1.672 20 30 BDEDHN C[C@H]1CC(=NNCCc2ccncc2)CCN1C ZINC000789097097 585935127 /nfs/dbraw/zinc/93/51/27/585935127.db2.gz LRODTJUDQIVMQE-LBPRGKRZSA-N 0 3 246.358 1.684 20 30 BDEDHN C[C@@H]1CC(=NNCCc2ccccn2)CCN1C ZINC000789125209 585935627 /nfs/dbraw/zinc/93/56/27/585935627.db2.gz UCALQMDDNVOOGG-GFCCVEGCSA-N 0 3 246.358 1.684 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000791027809 585972384 /nfs/dbraw/zinc/97/23/84/585972384.db2.gz ZKSKVHTWZXYOSM-NWDGAFQWSA-N 0 3 237.347 1.182 20 30 BDEDHN C#C[C@H](CCC)NC(=O)C1(N(C)C)CCC1 ZINC000791744199 585986987 /nfs/dbraw/zinc/98/69/87/585986987.db2.gz ZJHNNLDZSSONNS-LLVKDONJSA-N 0 3 222.332 1.389 20 30 BDEDHN C#CCOCCN(C)Cc1cccs1 ZINC000792269399 585998797 /nfs/dbraw/zinc/99/87/97/585998797.db2.gz YQAGUPUEBDWGMJ-UHFFFAOYSA-N 0 3 209.314 1.830 20 30 BDEDHN C=CCCOCCN[C@@H](C)c1cc(C)nn1C ZINC000793548927 586022763 /nfs/dbraw/zinc/02/27/63/586022763.db2.gz MNQJONUFNNNQDG-LBPRGKRZSA-N 0 3 237.347 1.972 20 30 BDEDHN C#CC(C)(C)N(C)Cc1ccn(C)c(=O)c1 ZINC000794579268 586045001 /nfs/dbraw/zinc/04/50/01/586045001.db2.gz XVEUFGOYGGBVBZ-UHFFFAOYSA-N 0 3 218.300 1.229 20 30 BDEDHN C#CCSCCN[C@@H]1CCCc2nn(C)cc21 ZINC000794820234 586049782 /nfs/dbraw/zinc/04/97/82/586049782.db2.gz ZJGQQQIAWSWJLM-GFCCVEGCSA-N 0 3 249.383 1.754 20 30 BDEDHN N#Cc1ccc2c(c1)CCCCC2=NNC(=N)N ZINC000794853826 586051377 /nfs/dbraw/zinc/05/13/77/586051377.db2.gz UCHSIVNWARNOTQ-UHFFFAOYSA-N 0 3 241.298 1.472 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796800410 586113036 /nfs/dbraw/zinc/11/30/36/586113036.db2.gz UFXOZFCHPNTZAU-JTQLQIEISA-N 0 3 234.299 1.434 20 30 BDEDHN CCC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000796891514 586116365 /nfs/dbraw/zinc/11/63/65/586116365.db2.gz GHZOWLLLWSYPCT-LBPRGKRZSA-N 0 3 244.294 1.764 20 30 BDEDHN C=CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000797284485 586125091 /nfs/dbraw/zinc/12/50/91/586125091.db2.gz YTMLNWILTQJFHZ-QMMMGPOBSA-N 0 3 215.249 1.797 20 30 BDEDHN C=C[C@H](OC(=O)C1CCN(C)C1=O)C(C)(C)C ZINC000798902188 586153185 /nfs/dbraw/zinc/15/31/85/586153185.db2.gz UUZOHNCIAAQINB-UWVGGRQHSA-N 0 3 239.315 1.609 20 30 BDEDHN C=CCCCCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000799124778 586159745 /nfs/dbraw/zinc/15/97/45/586159745.db2.gz QBJGAQSPDAVEEZ-LLVKDONJSA-N 0 3 238.331 1.470 20 30 BDEDHN C#CCCN1CC[C@H](c2ccccn2)C1 ZINC000799195574 586167246 /nfs/dbraw/zinc/16/72/46/586167246.db2.gz YLZZYWOISGJSJQ-LBPRGKRZSA-N 0 3 200.285 1.894 20 30 BDEDHN CNC(=O)C(C#N)C(=O)CCc1ccccc1C ZINC000103639866 586175184 /nfs/dbraw/zinc/17/51/84/586175184.db2.gz MVNFIIDMVAEBDH-LBPRGKRZSA-N 0 3 244.294 1.383 20 30 BDEDHN C=CC[C@@H]1CCN(C[C@@H]2CN(CC)C(=O)O2)C1 ZINC000859445136 589037980 /nfs/dbraw/zinc/03/79/80/589037980.db2.gz BWATUZGVJKOANN-VXGBXAGGSA-N 0 3 238.331 1.725 20 30 BDEDHN C[C@H](C#N)OCCN1CC[C@H](c2ccco2)C1 ZINC000801921227 586277773 /nfs/dbraw/zinc/27/77/73/586277773.db2.gz ZUUOEWZMDFRTPD-NEPJUHHUSA-N 0 3 234.299 1.998 20 30 BDEDHN CCN1C[C@H](C)N(CCO[C@@H](C)C#N)C[C@@H]1C ZINC000801936520 586280156 /nfs/dbraw/zinc/28/01/56/586280156.db2.gz VEPYHAAUHCFNTP-AVGNSLFASA-N 0 3 239.363 1.330 20 30 BDEDHN C#CCCN1CCC(NC(=O)C23CC(C2)C3)CC1 ZINC000859525010 589043022 /nfs/dbraw/zinc/04/30/22/589043022.db2.gz PJPAPGXQOPIUGF-UHFFFAOYSA-N 0 3 246.354 1.390 20 30 BDEDHN CC[C@](C)(C#N)C(=O)OCCN1CCCCC1 ZINC000803785743 586375110 /nfs/dbraw/zinc/37/51/10/586375110.db2.gz SLNMONHYNDLURV-CYBMUJFWSA-N 0 3 238.331 1.955 20 30 BDEDHN CN1CCCC[C@@H]1CCC(=O)OCC#N ZINC000803854436 586377156 /nfs/dbraw/zinc/37/71/56/586377156.db2.gz QNKVSFOUUHACPX-SNVBAGLBSA-N 0 3 210.277 1.318 20 30 BDEDHN CCc1ccc([C@H](O)CNC(=O)C(C)C#N)cc1 ZINC000804157525 586384650 /nfs/dbraw/zinc/38/46/50/586384650.db2.gz XUYXMVJBNPWBQP-ZWNOBZJWSA-N 0 3 246.310 1.558 20 30 BDEDHN C[C@@H]1CC(=NNC2=NC[C@H](C)N2)c2ccccc21 ZINC000807981353 586454613 /nfs/dbraw/zinc/45/46/13/586454613.db2.gz LXNSVUVWJWCMHY-ZJUUUORDSA-N 0 3 242.326 1.835 20 30 BDEDHN CCC[C@@]1(CO)CCN(CCO[C@@H](C)C#N)C1 ZINC000808797146 586490404 /nfs/dbraw/zinc/49/04/04/586490404.db2.gz XNXRVLQQIWNCQL-QWHCGFSZSA-N 0 3 240.347 1.400 20 30 BDEDHN N#CC[C@@H](O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000809576495 586507828 /nfs/dbraw/zinc/50/78/28/586507828.db2.gz BEIRIKUDHIXUJG-GRYCIOLGSA-N 0 3 240.372 1.621 20 30 BDEDHN C#C[C@H](C)NCc1cccc(OCCOC)c1 ZINC000809684333 586512276 /nfs/dbraw/zinc/51/22/76/586512276.db2.gz YWLVWVHJJXMOEL-LBPRGKRZSA-N 0 3 233.311 1.823 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000811536995 586560933 /nfs/dbraw/zinc/56/09/33/586560933.db2.gz KQJRKJLZYZYIIS-SCVCMEIPSA-N 0 3 232.283 1.384 20 30 BDEDHN CC[C@@H](O)CNN=Cc1ccc(N(C)C)cc1 ZINC000811652247 586563409 /nfs/dbraw/zinc/56/34/09/586563409.db2.gz FFXLOSYKEJWCEP-CYBMUJFWSA-N 0 3 235.331 1.447 20 30 BDEDHN CN1CCC2(CCN2C(=O)CCCC#N)CC1 ZINC000812519198 586578372 /nfs/dbraw/zinc/57/83/72/586578372.db2.gz WXGJELNITLADIS-UHFFFAOYSA-N 0 3 235.331 1.377 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)CCCC#N ZINC000812518480 586578385 /nfs/dbraw/zinc/57/83/85/586578385.db2.gz FRNJBWRKZLUAKL-NSHDSACASA-N 0 3 225.336 1.383 20 30 BDEDHN CC#CCCN1CCC(C(=O)N(C)OC)CC1 ZINC000812869174 586588298 /nfs/dbraw/zinc/58/82/98/586588298.db2.gz YKAIWKJJRKYKDT-UHFFFAOYSA-N 0 3 238.331 1.132 20 30 BDEDHN CC(COC(=O)Cc1ccc(C#N)cc1)[N+](=O)[O-] ZINC000813107753 586592719 /nfs/dbraw/zinc/59/27/19/586592719.db2.gz VTKDQGQANYTRAB-SECBINFHSA-N 0 3 248.238 1.309 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC(C)(C)COCC ZINC000813879241 586608025 /nfs/dbraw/zinc/60/80/25/586608025.db2.gz JGFVXOODSZGEDY-UHFFFAOYSA-N 0 3 242.363 1.283 20 30 BDEDHN C=CCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000814144896 586614987 /nfs/dbraw/zinc/61/49/87/586614987.db2.gz JSRWIXWABHLMIZ-VXGBXAGGSA-N 0 3 222.332 1.505 20 30 BDEDHN CCCC(=NNC1=NC[C@@H](C)N1)c1cccnc1 ZINC000814896933 586645013 /nfs/dbraw/zinc/64/50/13/586645013.db2.gz ASACFSVUVPHLSS-SNVBAGLBSA-N 0 3 245.330 1.523 20 30 BDEDHN CCC(=NN[C@H]1CCOC1)c1cccc(N)c1 ZINC000814917937 586650589 /nfs/dbraw/zinc/65/05/89/586650589.db2.gz WMGBRDXHAHHUJH-LBPRGKRZSA-N 0 3 233.315 1.761 20 30 BDEDHN C#CCON=C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000814936390 586655207 /nfs/dbraw/zinc/65/52/07/586655207.db2.gz PONRKUUKUKPDMB-BETUJISGSA-N 0 3 236.315 1.265 20 30 BDEDHN C#CCN(C)CCCN[C@H](C)c1cc(C)nn1C ZINC000815651986 586690300 /nfs/dbraw/zinc/69/03/00/586690300.db2.gz LAJSNJGPOKJDGI-CYBMUJFWSA-N 0 3 248.374 1.334 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1occc1C ZINC000817026564 586779438 /nfs/dbraw/zinc/77/94/38/586779438.db2.gz JJMPXTVRFHOIJX-UHFFFAOYSA-N 0 3 236.315 1.664 20 30 BDEDHN FC(F)(F)C=CNN=c1nc[nH]c2[nH]cnc21 ZINC000817323010 586793889 /nfs/dbraw/zinc/79/38/89/586793889.db2.gz FPWTVZPNHXBDIP-UHFFFAOYSA-N 0 3 244.180 1.703 20 30 BDEDHN C#CCN1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000859952338 589074169 /nfs/dbraw/zinc/07/41/69/589074169.db2.gz XRTTUKJRSADJGO-SDDRHHMPSA-N 0 3 221.300 1.283 20 30 BDEDHN C#CCOCCNC[C@@H](O)c1ccc(F)cc1 ZINC000819231570 586941073 /nfs/dbraw/zinc/94/10/73/586941073.db2.gz YJQDEPJCJOGWFE-CYBMUJFWSA-N 0 3 237.274 1.099 20 30 BDEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)c2ccc(F)cn2)C1 ZINC000819383161 586959777 /nfs/dbraw/zinc/95/97/77/586959777.db2.gz IRJVMDLLAQVSAT-UFGOTCBOSA-N 0 3 249.289 1.536 20 30 BDEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000820271019 587039206 /nfs/dbraw/zinc/03/92/06/587039206.db2.gz FFJUHDBQZHHEMS-UPJWGTAASA-N 0 3 236.359 1.751 20 30 BDEDHN C#C[C@@](C)(CC)NC(=O)[C@@H]1CCCN1C(C)C ZINC000821003515 587087445 /nfs/dbraw/zinc/08/74/45/587087445.db2.gz CDSBIPIRFXOGRF-JSGCOSHPSA-N 0 3 236.359 1.777 20 30 BDEDHN C#CCCN1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000860186658 589088252 /nfs/dbraw/zinc/08/82/52/589088252.db2.gz DHQJQNQEAYWBCF-ZSBIGDGJSA-N 0 3 223.316 1.672 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@@H]1SC)[C@@H]1CCCO1 ZINC000822470343 587170323 /nfs/dbraw/zinc/17/03/23/587170323.db2.gz NELOPDLKDVJNBQ-USZNOCQGSA-N 0 3 225.357 1.651 20 30 BDEDHN C#C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC000822473547 587170540 /nfs/dbraw/zinc/17/05/40/587170540.db2.gz ZQCKFDYJKHNMMZ-LLVKDONJSA-N 0 3 224.348 1.444 20 30 BDEDHN CS[C@@H]1CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000822476354 587170620 /nfs/dbraw/zinc/17/06/20/587170620.db2.gz LTSNFSHRKWLJEL-NWDGAFQWSA-N 0 3 233.340 1.937 20 30 BDEDHN CC(C)[C@@H]1CN(C)CCN1CCO[C@H](C)C#N ZINC000823179303 587206862 /nfs/dbraw/zinc/20/68/62/587206862.db2.gz KWGWLMCDFWRNRX-OLZOCXBDSA-N 0 3 239.363 1.187 20 30 BDEDHN CC(C)[C@H]1CN(C)CCN1CCO[C@H](C)C#N ZINC000823179302 587207049 /nfs/dbraw/zinc/20/70/49/587207049.db2.gz KWGWLMCDFWRNRX-CHWSQXEVSA-N 0 3 239.363 1.187 20 30 BDEDHN C=CCCc1noc(-c2ccnc(CN)c2)n1 ZINC000823263353 587212314 /nfs/dbraw/zinc/21/23/14/587212314.db2.gz HCOIQKQDKJAKAU-UHFFFAOYSA-N 0 3 230.271 1.709 20 30 BDEDHN C=CCCNC(=O)[C@@H]1CCCN1C(C)C ZINC000824910044 587293278 /nfs/dbraw/zinc/29/32/78/587293278.db2.gz MKHAPCWVXGBGJT-NSHDSACASA-N 0 3 210.321 1.552 20 30 BDEDHN C=CCC[C@H](CO)NCc1ccc(F)nc1 ZINC000825169259 587307304 /nfs/dbraw/zinc/30/73/04/587307304.db2.gz ZVHUCBSODMJCBS-LLVKDONJSA-N 0 3 224.279 1.637 20 30 BDEDHN C#Cc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1 ZINC000825316455 587315111 /nfs/dbraw/zinc/31/51/11/587315111.db2.gz OHNRMWSSKLCVGJ-DOMZBBRYSA-N 0 3 229.323 1.871 20 30 BDEDHN CN1CC[C@@H](CNC(=O)C#Cc2cccs2)C1 ZINC000825378543 587317368 /nfs/dbraw/zinc/31/73/68/587317368.db2.gz CIJRCYPSNNHFSU-NSHDSACASA-N 0 3 248.351 1.168 20 30 BDEDHN N#CCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000826381322 587352604 /nfs/dbraw/zinc/35/26/04/587352604.db2.gz HFMJXMHWPSRTST-UHFFFAOYSA-N 0 3 242.286 1.260 20 30 BDEDHN CC(C)C#CC(=O)N(CCN(C)C)CC(C)C ZINC000826538573 587354381 /nfs/dbraw/zinc/35/43/81/587354381.db2.gz GMDLILJRHOKRLR-UHFFFAOYSA-N 0 3 238.375 1.692 20 30 BDEDHN CC(C#N)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000826717850 587359917 /nfs/dbraw/zinc/35/99/17/587359917.db2.gz KPXIZGWAUCZTAB-MFKMUULPSA-N 0 3 243.310 1.449 20 30 BDEDHN CCN1CCCC[C@@H]1CNC(=O)C#CC(C)C ZINC000827203667 587372882 /nfs/dbraw/zinc/37/28/82/587372882.db2.gz FYRWNZIBQBRFAD-CYBMUJFWSA-N 0 3 236.359 1.636 20 30 BDEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000827285301 587375288 /nfs/dbraw/zinc/37/52/88/587375288.db2.gz ZVDIGGUZPMYSFB-CYBMUJFWSA-N 0 3 234.343 1.341 20 30 BDEDHN C#C[C@H](NCc1cnn(C=C)c1)C1CCOCC1 ZINC000827559791 587387898 /nfs/dbraw/zinc/38/78/98/587387898.db2.gz JJXVRWPYDRGESP-AWEZNQCLSA-N 0 3 245.326 1.502 20 30 BDEDHN C#Cc1cnc(NC[C@H]2CCCN(C)C2)nc1 ZINC000827601808 587392003 /nfs/dbraw/zinc/39/20/03/587392003.db2.gz KUWDJSJSGJNXLC-GFCCVEGCSA-N 0 3 230.315 1.212 20 30 BDEDHN C#Cc1cnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000827740159 587400730 /nfs/dbraw/zinc/40/07/30/587400730.db2.gz VZFXIUJUIYAWOP-PWSUYJOCSA-N 0 3 242.326 1.495 20 30 BDEDHN C#C[C@H](NCCc1cccc(C)n1)[C@H]1CCCO1 ZINC000828307459 587433310 /nfs/dbraw/zinc/43/33/10/587433310.db2.gz ORHFLUCERZVZJW-LSDHHAIUSA-N 0 3 244.338 1.703 20 30 BDEDHN C#Cc1cnc(N2CCN([C@@H](C)CC)CC2)nc1 ZINC000829253526 587490367 /nfs/dbraw/zinc/49/03/67/587490367.db2.gz UETZZGCIZWKHLP-LBPRGKRZSA-N 0 3 244.342 1.378 20 30 BDEDHN C=CC[C@@H](NC(=O)CNC1CC1)c1ccncc1 ZINC000829690261 587510064 /nfs/dbraw/zinc/51/00/64/587510064.db2.gz OYJJELNJNWNUKV-CYBMUJFWSA-N 0 3 245.326 1.567 20 30 BDEDHN C#CC[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000829768512 587514551 /nfs/dbraw/zinc/51/45/51/587514551.db2.gz FEIRZUWDBWCDCW-NSHDSACASA-N 0 3 220.316 1.000 20 30 BDEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)CC)C1 ZINC000829778509 587514999 /nfs/dbraw/zinc/51/49/99/587514999.db2.gz DCVDEDCHZPEJPN-GFCCVEGCSA-N 0 3 222.332 1.200 20 30 BDEDHN C#CC[C@@H]1CCCN([C@@H](C(=O)OC)C2CC2)C1 ZINC000829810871 587518110 /nfs/dbraw/zinc/51/81/10/587518110.db2.gz VJTWAANARGTERF-DGCLKSJQSA-N 0 3 235.327 1.673 20 30 BDEDHN C#CC[C@@H]1CCCN([C@@H]2CCN(CC=C)C2=O)C1 ZINC000829815663 587519395 /nfs/dbraw/zinc/51/93/95/587519395.db2.gz QJJMSMRCZHUNSU-ZIAGYGMSSA-N 0 3 246.354 1.509 20 30 BDEDHN C#CCCN[C@@](C)(CO)c1cccc(O)c1 ZINC000829921733 587528194 /nfs/dbraw/zinc/52/81/94/587528194.db2.gz WQHKCRCPQHPEIZ-ZDUSSCGKSA-N 0 3 219.284 1.213 20 30 BDEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000830241497 587543487 /nfs/dbraw/zinc/54/34/87/587543487.db2.gz UJZPYARIBDFFGV-INTQDDNPSA-N 0 3 222.288 1.077 20 30 BDEDHN CC(C#N)C(=O)NN1CCC(C(C)(C)C)CC1 ZINC000830259346 587544037 /nfs/dbraw/zinc/54/40/37/587544037.db2.gz KEACJKPTFQTBCI-SNVBAGLBSA-N 0 3 237.347 1.935 20 30 BDEDHN C#CC1CCN(Cc2ccccn2)CC1 ZINC000830321734 587545849 /nfs/dbraw/zinc/54/58/49/587545849.db2.gz ZIAODJYBESYNDO-UHFFFAOYSA-N 0 3 200.285 1.927 20 30 BDEDHN C#CC1CCN([C@H]2CCN(CC=C)C2=O)CC1 ZINC000830345746 587546772 /nfs/dbraw/zinc/54/67/72/587546772.db2.gz QTSWKHDKKLQQJG-ZDUSSCGKSA-N 0 3 232.327 1.119 20 30 BDEDHN CC(C)C#CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000831936804 587637327 /nfs/dbraw/zinc/63/73/27/587637327.db2.gz OWVSIRICDWPKTN-GFCCVEGCSA-N 0 3 234.343 1.412 20 30 BDEDHN C[C@@H](C#N)OCCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000832778887 587688623 /nfs/dbraw/zinc/68/86/23/587688623.db2.gz QLKSQENDTSKXOR-TUAOUCFPSA-N 0 3 238.331 1.272 20 30 BDEDHN N=C(N)N=NC1CCc2ccccc2CC1 ZINC000834939086 587771842 /nfs/dbraw/zinc/77/18/42/587771842.db2.gz QDQAGEUTZKWFNK-UHFFFAOYSA-N 0 3 216.288 1.404 20 30 BDEDHN FC1(F)CC1=CNN=c1nc[nH]c2[nH]cnc21 ZINC000834941203 587772114 /nfs/dbraw/zinc/77/21/14/587772114.db2.gz DUYLMOCZTVDEBD-YFKPBYRVSA-N 0 3 238.201 1.406 20 30 BDEDHN C[C@@H](O)CNN=C1CCCc2cc(N)ccc21 ZINC000834983503 587775921 /nfs/dbraw/zinc/77/59/21/587775921.db2.gz YENRPTAFZYRFJY-SECBINFHSA-N 0 3 233.315 1.280 20 30 BDEDHN C[C@@H](NN=C1CCN(C)[C@H](C)C1)C(F)(F)F ZINC000835001481 587777027 /nfs/dbraw/zinc/77/70/27/587777027.db2.gz OPGGDHCNUCQYPB-HTQZYQBOSA-N 0 3 237.269 1.997 20 30 BDEDHN C=CCON=Cc1cnccc1N(C)C ZINC000835013805 587778001 /nfs/dbraw/zinc/77/80/01/587778001.db2.gz YLKVTRVGNYHNOZ-UHFFFAOYSA-N 0 3 205.261 1.684 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@H](SC)C1 ZINC000836795677 587837237 /nfs/dbraw/zinc/83/72/37/587837237.db2.gz IJVSMAKBGGHSIY-JTQLQIEISA-N 0 3 228.361 1.068 20 30 BDEDHN C=C(CC)CNC(=O)C1(N(C)C)CCC1 ZINC000837099793 587853291 /nfs/dbraw/zinc/85/32/91/587853291.db2.gz ZPIUDNCIDFYNOI-UHFFFAOYSA-N 0 3 210.321 1.553 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC(C)(C)C(C)(C)O ZINC000837094526 587853488 /nfs/dbraw/zinc/85/34/88/587853488.db2.gz YRLFQXQCQARQHX-UHFFFAOYSA-N 0 3 242.363 1.018 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCOC(C)(C)CC ZINC000837278804 587863433 /nfs/dbraw/zinc/86/34/33/587863433.db2.gz TYPJWSZBSAMSIJ-UHFFFAOYSA-N 0 3 242.363 1.426 20 30 BDEDHN CC(C)(C)C#CC(=O)NCCN1CCCC1 ZINC000837318450 587865752 /nfs/dbraw/zinc/86/57/52/587865752.db2.gz TZIDYZJJMJDRGV-UHFFFAOYSA-N 0 3 222.332 1.248 20 30 BDEDHN C[C@H]1CCCCN1CCNC(=O)C#CC1CC1 ZINC000837345255 587868298 /nfs/dbraw/zinc/86/82/98/587868298.db2.gz POCGWRNSCRAISP-LBPRGKRZSA-N 0 3 234.343 1.390 20 30 BDEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000837401814 587870825 /nfs/dbraw/zinc/87/08/25/587870825.db2.gz IEMNEEZBAXGSOB-ZDUSSCGKSA-N 0 3 248.370 1.636 20 30 BDEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC000837465225 587874961 /nfs/dbraw/zinc/87/49/61/587874961.db2.gz OBOXKMDGTUAGEU-YPMHNXCESA-N 0 3 248.370 1.635 20 30 BDEDHN CN(C)CC1(NC(=O)C#CC2CC2)CCC1 ZINC000837597361 587884753 /nfs/dbraw/zinc/88/47/53/587884753.db2.gz TYEUAPQKUBFYCN-UHFFFAOYSA-N 0 3 220.316 1.000 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC[C@@H](C2CCC2)C1 ZINC000840574478 587912428 /nfs/dbraw/zinc/91/24/28/587912428.db2.gz VVJJMVLVOCNNGY-CYBMUJFWSA-N 0 3 236.359 1.753 20 30 BDEDHN CC(=NNC1=NCCN1)c1ccc(C)s1 ZINC000841659877 587969739 /nfs/dbraw/zinc/96/97/39/587969739.db2.gz AFLLIWXMCXKUGD-UHFFFAOYSA-N 0 3 222.317 1.329 20 30 BDEDHN C#CC1CCN(Cc2c[nH]nc2C)CC1 ZINC000843427293 588108848 /nfs/dbraw/zinc/10/88/48/588108848.db2.gz YPONXSPMGFSRHQ-UHFFFAOYSA-N 0 3 203.289 1.563 20 30 BDEDHN C#CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000844045744 588157840 /nfs/dbraw/zinc/15/78/40/588157840.db2.gz NNLYLKFWVULQQG-ZDUSSCGKSA-N 0 3 236.359 1.444 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000844107576 588168180 /nfs/dbraw/zinc/16/81/80/588168180.db2.gz PGTLOSCXCIOHMH-ZJUUUORDSA-N 0 3 228.361 1.114 20 30 BDEDHN COCC(CC(C)(C)C)=NNC1=N[C@@H](C)CN1 ZINC000844589995 588206109 /nfs/dbraw/zinc/20/61/09/588206109.db2.gz MLDSVYZZZFTVFT-VIFPVBQESA-N 0 3 240.351 1.362 20 30 BDEDHN C=C[C@@H](C)ONC(=O)NC[C@H]1CCCN1CC ZINC000845632434 588238582 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588643561 /nfs/dbraw/zinc/64/35/61/588643561.db2.gz JFMLOEIJSRSWOX-AWEZNQCLSA-N 0 3 233.311 1.268 20 30 BDEDHN N#CCC1CCN(CCOC(F)F)CC1 ZINC000851919313 588643563 /nfs/dbraw/zinc/64/35/63/588643563.db2.gz IHJNVSHMDSHZRJ-UHFFFAOYSA-N 0 3 218.247 1.851 20 30 BDEDHN C#C[C@H](N[C@@H]1CC[C@H](OC)C1)[C@@H]1CCCO1 ZINC000851950273 588646909 /nfs/dbraw/zinc/64/69/09/588646909.db2.gz NBBLKBFUHYWGDE-VOAKCMCISA-N 0 3 223.316 1.324 20 30 BDEDHN C#C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CCCO1 ZINC000851950679 588646972 /nfs/dbraw/zinc/64/69/72/588646972.db2.gz RAVIOCQFIILKFM-AXFHLTTASA-N 0 3 245.269 1.181 20 30 BDEDHN C#CCOCCN1CCC(c2ccncc2)CC1 ZINC000851985754 588651782 /nfs/dbraw/zinc/65/17/82/588651782.db2.gz QIPRRUPRLACASL-UHFFFAOYSA-N 0 3 244.338 1.911 20 30 BDEDHN C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)O1 ZINC000851993972 588652845 /nfs/dbraw/zinc/65/28/45/588652845.db2.gz GDPDEOGOUZMAOQ-MNOVXSKESA-N 0 3 209.289 1.733 20 30 BDEDHN C#C[C@@](C)(CC)NCCC(=O)OC(C)C ZINC000852101103 588663072 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C[C@H](CC#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874822545 590141150 /nfs/dbraw/zinc/14/11/50/590141150.db2.gz BQHTWBAVWYYPNU-UTUOFQBUSA-N 0 3 235.331 1.231 20 30 BDEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874825030 590142544 /nfs/dbraw/zinc/14/25/44/590142544.db2.gz ICVQGWYBMUSRBM-VXGBXAGGSA-N 0 3 236.359 1.894 20 30 BDEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874825028 590142761 /nfs/dbraw/zinc/14/27/61/590142761.db2.gz ICVQGWYBMUSRBM-RYUDHWBXSA-N 0 3 236.359 1.894 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000888696499 590186037 /nfs/dbraw/zinc/18/60/37/590186037.db2.gz SJRFYUZHNLCFFR-GFCCVEGCSA-N 0 3 236.359 1.943 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCCC1 ZINC000876543558 590212823 /nfs/dbraw/zinc/21/28/23/590212823.db2.gz FHWUGVJGJKNAQI-SNVBAGLBSA-N 0 3 230.739 1.859 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](CC)C1 ZINC000876574494 590217642 /nfs/dbraw/zinc/21/76/42/590217642.db2.gz FVVKBGGHLQMRIK-ZJUUUORDSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCCOCCCC ZINC000876609574 590221872 /nfs/dbraw/zinc/22/18/72/590221872.db2.gz OKCPIJICNDWOKU-JTQLQIEISA-N 0 3 248.754 1.389 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000876643411 590222807 /nfs/dbraw/zinc/22/28/07/590222807.db2.gz XSYLDBOGFKFCAV-ZJUUUORDSA-N 0 3 246.738 1.094 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H](C)C1 ZINC000876645220 590225575 /nfs/dbraw/zinc/22/55/75/590225575.db2.gz HUDGHGNLJKXMPI-BDAKNGLRSA-N 0 3 248.779 1.420 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C ZINC000876655489 590226172 /nfs/dbraw/zinc/22/61/72/590226172.db2.gz LVYLYYVVEBEBHO-DTWKUNHWSA-N 0 3 216.712 1.467 20 30 BDEDHN N#CC1CCN(CCC[C@H]2CCO2)CC1 ZINC000876653559 590226416 /nfs/dbraw/zinc/22/64/16/590226416.db2.gz OHRKIKXQEPTXEB-LBPRGKRZSA-N 0 3 208.305 1.791 20 30 BDEDHN C[C@H](CCC#N)CN(C)[C@H]1CCCCNC1=O ZINC000876654077 590226425 /nfs/dbraw/zinc/22/64/25/590226425.db2.gz YHOABBSIQSWNLK-NEPJUHHUSA-N 0 3 237.347 1.527 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@]1(C)CCCO1 ZINC000876657714 590226886 /nfs/dbraw/zinc/22/68/86/590226886.db2.gz IKPKXFAWKBVTHC-MWLCHTKSSA-N 0 3 246.738 1.142 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCS1 ZINC000876667996 590227777 /nfs/dbraw/zinc/22/77/77/590227777.db2.gz DZOAFRUUBKUJNQ-RKDXNWHRSA-N 0 3 248.779 1.468 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)C1CCC1 ZINC000876674764 590229183 /nfs/dbraw/zinc/22/91/83/590229183.db2.gz SMIPXMZWWBMMMH-JTQLQIEISA-N 0 3 230.739 1.857 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C)CCC1 ZINC000876677941 590229892 /nfs/dbraw/zinc/22/98/92/590229892.db2.gz GEIRLZHGQYTYKQ-VIFPVBQESA-N 0 3 230.739 1.763 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cscn1 ZINC000876746647 590237329 /nfs/dbraw/zinc/23/73/29/590237329.db2.gz MUXYSCFZRMTJDL-QMMMGPOBSA-N 0 3 245.735 1.229 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCOCC1 ZINC000876885466 590253464 /nfs/dbraw/zinc/25/34/64/590253464.db2.gz XPJLDXWQCHHPSE-NXEZZACHSA-N 0 3 246.738 1.142 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cnn1C ZINC000876958402 590261368 /nfs/dbraw/zinc/26/13/68/590261368.db2.gz BMQRVSMZYXHHMY-QMMMGPOBSA-N 0 3 242.710 1.137 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccoc1 ZINC000876967363 590262558 /nfs/dbraw/zinc/26/25/58/590262558.db2.gz GMOXCWLXSNGNOX-JTQLQIEISA-N 0 3 242.706 1.408 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(F)F ZINC000876972153 590262931 /nfs/dbraw/zinc/26/29/31/590262931.db2.gz QLEQRZRLXYNNMB-ZCFIWIBFSA-N 0 3 226.654 1.228 20 30 BDEDHN C=CC[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000876995020 590266964 /nfs/dbraw/zinc/26/69/64/590266964.db2.gz UBEQEVTWXXTLFP-ZYHUDNBSSA-N 0 3 226.295 1.113 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC ZINC000877079590 590279522 /nfs/dbraw/zinc/27/95/22/590279522.db2.gz GHKFUEKCGFEHCN-IWSPIJDZSA-N 0 3 216.712 1.371 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C)c[nH]1 ZINC000877146721 590292399 /nfs/dbraw/zinc/29/23/99/590292399.db2.gz ZPEFONAIGUCPSA-SSDOTTSWSA-N 0 3 228.683 1.127 20 30 BDEDHN CC(=O)NCC1CCC(NC[C@@H](C)C#N)CC1 ZINC000877321823 590316610 /nfs/dbraw/zinc/31/66/10/590316610.db2.gz UBYOJSVPPGAWKN-PKSQDBQZSA-N 0 3 237.347 1.431 20 30 BDEDHN C#C[C@H](N[C@H](C)[C@@H]1CC1(F)F)[C@@H]1CCCO1 ZINC000877418408 590324711 /nfs/dbraw/zinc/32/47/11/590324711.db2.gz YODIKEVQWRREFZ-RCWTZXSCSA-N 0 3 229.270 1.801 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)C(F)F ZINC000877456837 590330515 /nfs/dbraw/zinc/33/05/15/590330515.db2.gz WYKMCOCXBRLKBU-RNFRBKRXSA-N 0 3 240.681 1.616 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)C(F)F ZINC000877456835 590330600 /nfs/dbraw/zinc/33/06/00/590330600.db2.gz WYKMCOCXBRLKBU-BQBZGAKWSA-N 0 3 240.681 1.616 20 30 BDEDHN C#CCCCCCCN1CCc2nn[nH]c2C1 ZINC000877641774 590382868 /nfs/dbraw/zinc/38/28/68/590382868.db2.gz JFFWEOSRTVAMMN-UHFFFAOYSA-N 0 3 232.331 1.747 20 30 BDEDHN C#CCCCCCCN1CCc2n[nH]nc2C1 ZINC000877641774 590382871 /nfs/dbraw/zinc/38/28/71/590382871.db2.gz JFFWEOSRTVAMMN-UHFFFAOYSA-N 0 3 232.331 1.747 20 30 BDEDHN CCn1ncc(CNC[C@@H](C)CCC#N)n1 ZINC000877648533 590384618 /nfs/dbraw/zinc/38/46/18/590384618.db2.gz PMHKVSJOFUUEKW-JTQLQIEISA-N 0 3 221.308 1.327 20 30 BDEDHN C=CC[C@H](C)N(C)CC(=O)N1CCCC1 ZINC000877892893 590441079 /nfs/dbraw/zinc/44/10/79/590441079.db2.gz GRVXRNWEHUDNNT-NSHDSACASA-N 0 3 210.321 1.505 20 30 BDEDHN C=CC[C@@H](C)N(C)CC(=O)NCCCOC ZINC000877950392 590455479 /nfs/dbraw/zinc/45/54/79/590455479.db2.gz FTEUOMFWGXDGSH-LLVKDONJSA-N 0 3 228.336 1.036 20 30 BDEDHN C=CC[C@@H](C(=O)OC)N(CC)CC1CC1 ZINC000878097407 590492794 /nfs/dbraw/zinc/49/27/94/590492794.db2.gz CAQFJPSGYNLFKE-NSHDSACASA-N 0 3 211.305 1.836 20 30 BDEDHN C=CC[C@@H](C)N1CCN([C@@H](CC)CO)CC1 ZINC000878141922 590504635 /nfs/dbraw/zinc/50/46/35/590504635.db2.gz PBGCLFYXBDHZNJ-OLZOCXBDSA-N 0 3 226.364 1.340 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](C)[C@@H]1C ZINC000878164923 590511465 /nfs/dbraw/zinc/51/14/65/590511465.db2.gz PIRBEMMEFFIFJV-OUAUKWLOSA-N 0 3 211.305 1.834 20 30 BDEDHN C#CCN(CC)C[C@H](O)CC1(CO)CCCC1 ZINC000878167045 590513529 /nfs/dbraw/zinc/51/35/29/590513529.db2.gz MMGNRVZIWMLKEX-CYBMUJFWSA-N 0 3 239.359 1.245 20 30 BDEDHN C#CCN(CC)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878166962 590514247 /nfs/dbraw/zinc/51/42/47/590514247.db2.gz KPRYPPBTWAMUFK-CABCVRRESA-N 0 3 247.338 1.426 20 30 BDEDHN C=CC[C@H](C)N1CCSC[C@H]1CC(=O)OC ZINC000878194552 590521147 /nfs/dbraw/zinc/52/11/47/590521147.db2.gz ZSWBGOVFAMNWPO-WDEREUQCSA-N 0 3 243.372 1.932 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CCC[C@H]1C[C@@H](C)O ZINC000878294830 590536882 /nfs/dbraw/zinc/53/68/82/590536882.db2.gz RPRXCDXMZSKWDB-GRYCIOLGSA-N 0 3 241.331 1.339 20 30 BDEDHN C#CCCCCCN1CCc2n[nH]cc2C1 ZINC000878311299 590540926 /nfs/dbraw/zinc/54/09/26/590540926.db2.gz HRMBMMPXUAGVCI-UHFFFAOYSA-N 0 3 217.316 1.961 20 30 BDEDHN C=CC[C@@H](C)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000878325952 590546152 /nfs/dbraw/zinc/54/61/52/590546152.db2.gz OCAGRMWZNVCDNL-GHMZBOCLSA-N 0 3 224.304 1.478 20 30 BDEDHN C=CC[C@H](C(=O)OC)N(C)CC1CCOCC1 ZINC000878334374 590548086 /nfs/dbraw/zinc/54/80/86/590548086.db2.gz WZUGFAZIXFIMGE-GFCCVEGCSA-N 0 3 241.331 1.463 20 30 BDEDHN C=CC(C)(C)CC(=O)NCCNc1ccncc1 ZINC000878338411 590551004 /nfs/dbraw/zinc/55/10/04/590551004.db2.gz RWFDJGNOXWTSIX-UHFFFAOYSA-N 0 3 247.342 1.634 20 30 BDEDHN C#CCN(CCc1ccc(C(N)=O)cc1)C1CC1 ZINC000878434898 590567391 /nfs/dbraw/zinc/56/73/91/590567391.db2.gz WFTZUGXXEATNLI-UHFFFAOYSA-N 0 3 242.322 1.426 20 30 BDEDHN C#C[C@H](NCCCC1CC1)[C@@H]1CCCO1 ZINC000878454396 590570351 /nfs/dbraw/zinc/57/03/51/590570351.db2.gz WUSRVWUHDLBNGI-STQMWFEESA-N 0 3 207.317 1.947 20 30 BDEDHN C#CCCCCCN1C[C@H](COC)O[C@@H](C)C1 ZINC000878484416 590577194 /nfs/dbraw/zinc/57/71/94/590577194.db2.gz XQDSVQUZQAWPDX-UONOGXRCSA-N 0 3 239.359 1.916 20 30 BDEDHN C=CC[C@H](C)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000878545164 590590071 /nfs/dbraw/zinc/59/00/71/590590071.db2.gz PSVVRBHLIXMADE-YNEHKIRRSA-N 0 3 225.332 1.831 20 30 BDEDHN C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000878794717 590624238 /nfs/dbraw/zinc/62/42/38/590624238.db2.gz GBPWDJNJYOJYGX-NXEZZACHSA-N 0 3 249.314 1.642 20 30 BDEDHN C=CC[C@@H](C)[N@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000878794717 590624239 /nfs/dbraw/zinc/62/42/39/590624239.db2.gz GBPWDJNJYOJYGX-NXEZZACHSA-N 0 3 249.314 1.642 20 30 BDEDHN CCN1[C@H](C)CN(CCO[C@@H](C)C#N)C[C@@H]1C ZINC000878836902 590629498 /nfs/dbraw/zinc/62/94/98/590629498.db2.gz NYKZTSPWJZVZPV-XQQFMLRXSA-N 0 3 239.363 1.330 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000878843397 590632126 /nfs/dbraw/zinc/63/21/26/590632126.db2.gz CCIHDWVNCRGOIU-VXGBXAGGSA-N 0 3 230.315 1.111 20 30 BDEDHN CC(C)(O)C[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000878886153 590639668 /nfs/dbraw/zinc/63/96/68/590639668.db2.gz BJBJNMFLYBRGPF-NEPJUHHUSA-N 0 3 240.347 1.134 20 30 BDEDHN C#CCN(CCN1CCCCC1)C1CSC1 ZINC000878909390 590645686 /nfs/dbraw/zinc/64/56/86/590645686.db2.gz BKYUIFWXEBBOQY-UHFFFAOYSA-N 0 3 238.400 1.523 20 30 BDEDHN C#CCCN(CCOC)C[C@H]1CC(C)(C)CO1 ZINC000878998671 590673972 /nfs/dbraw/zinc/67/39/72/590673972.db2.gz UIEUPUOQMGDVQM-CYBMUJFWSA-N 0 3 239.359 1.773 20 30 BDEDHN C=C(C)CN1CCc2c(CC(N)=O)cccc2C1 ZINC000879228525 590717813 /nfs/dbraw/zinc/71/78/13/590717813.db2.gz KBBJCZVJIVDITM-UHFFFAOYSA-N 0 3 244.338 1.649 20 30 BDEDHN C=CC[C@@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000879294322 590728637 /nfs/dbraw/zinc/72/86/37/590728637.db2.gz OXFPDBSCDZJVAA-VXGBXAGGSA-N 0 3 224.348 1.894 20 30 BDEDHN CC#CCCN1CCCC[C@@H]1CNC(=O)NC ZINC000879333887 590749679 /nfs/dbraw/zinc/74/96/79/590749679.db2.gz FPIIBOLHCZDSEU-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN C[C@@H](O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000879459407 590774618 /nfs/dbraw/zinc/77/46/18/590774618.db2.gz OCBKYVUTKKBTOJ-MDZLAQPJSA-N 0 3 222.332 1.771 20 30 BDEDHN CC1(C)C[C@H](O)CN(CCOCCC#N)C1 ZINC000879624723 590825645 /nfs/dbraw/zinc/82/56/45/590825645.db2.gz ZWWQLKLWVTVYNE-NSHDSACASA-N 0 3 226.320 1.009 20 30 BDEDHN C[C@@H](NCCCSCC#N)c1ccnn1C ZINC000879685169 590848534 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C[C@@H](NCC(=O)NCC#N)[C@@H](C)c1ccccc1 ZINC000183347084 367017308 /nfs/dbraw/zinc/01/73/08/367017308.db2.gz HLYWFUWRGDRBEF-VXGBXAGGSA-N 0 3 245.326 1.408 20 30 BDEDHN CO[C@@H](C)CCNC[C@@H](C#N)CCC#N ZINC000581006961 367232407 /nfs/dbraw/zinc/23/24/07/367232407.db2.gz YIIGHSXNFZGTTL-WDEREUQCSA-N 0 3 209.293 1.445 20 30 BDEDHN CCN1CCCC[C@H]1CNC[C@H](C#N)CCC#N ZINC000581721578 367784731 /nfs/dbraw/zinc/78/47/31/367784731.db2.gz DJJJSTQQBUAXME-KBPBESRZSA-N 0 3 248.374 1.894 20 30 BDEDHN C[C@@H]1CN(CCOCCC#N)C[C@@H](C)S1 ZINC000385268719 367815278 /nfs/dbraw/zinc/81/52/78/367815278.db2.gz WXBNCPXDUYYJGD-GHMZBOCLSA-N 0 3 228.361 1.742 20 30 BDEDHN N#CCCN1CCN(CC[C@H]2CCCO2)CC1 ZINC000615793446 368313508 /nfs/dbraw/zinc/31/35/08/368313508.db2.gz PNCHBKPHWKICHB-CYBMUJFWSA-N 0 3 237.347 1.087 20 30 BDEDHN C=CCCCC(=O)NC(C)(C)CN(C)C ZINC000457213093 203020718 /nfs/dbraw/zinc/02/07/18/203020718.db2.gz UNNIRTQKNYLMJR-UHFFFAOYSA-N 0 3 212.337 1.799 20 30 BDEDHN CN(C)CC(C)(C)NC(=O)c1cc(C#N)ccn1 ZINC000457249310 203027634 /nfs/dbraw/zinc/02/76/34/203027634.db2.gz TZAMBORRLDCALW-UHFFFAOYSA-N 0 3 246.314 1.023 20 30 BDEDHN CN(C)CC(C)(C)NC(=O)c1ccc(C#N)nc1 ZINC000457198740 203016627 /nfs/dbraw/zinc/01/66/27/203016627.db2.gz BOPMOTBBKWZRKE-UHFFFAOYSA-N 0 3 246.314 1.023 20 30 BDEDHN C=CCOCCCNC(=O)CN(C)CCC ZINC000618522924 369166242 /nfs/dbraw/zinc/16/62/42/369166242.db2.gz YTICADFQEIGLTB-UHFFFAOYSA-N 0 3 228.336 1.037 20 30 BDEDHN C=CCC(C)(C)CNC(=O)NCCN(C)CC ZINC000458017033 203126258 /nfs/dbraw/zinc/12/62/58/203126258.db2.gz OXRPJGMZRUVTHI-UHFFFAOYSA-N 0 3 241.379 1.840 20 30 BDEDHN CC#CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000458532667 203179396 /nfs/dbraw/zinc/17/93/96/203179396.db2.gz WZIJAXWRRUUOOD-VXGBXAGGSA-N 0 3 249.358 1.276 20 30 BDEDHN CC(=O)N1CCCN(C[C@H](C)CCC#N)CC1 ZINC000618887388 369226601 /nfs/dbraw/zinc/22/66/01/369226601.db2.gz WQVQDLNAGDAZEI-GFCCVEGCSA-N 0 3 237.347 1.480 20 30 BDEDHN C[C@@H](CN(C)C)NC(=O)NCC(C)(C)CC#N ZINC000458753910 203194759 /nfs/dbraw/zinc/19/47/59/203194759.db2.gz IBOFIHPTKMHXDX-JTQLQIEISA-N 0 3 240.351 1.176 20 30 BDEDHN C=C(CC)CNC(=O)N(C)CCN(C)C ZINC000459068216 203227568 /nfs/dbraw/zinc/22/75/68/203227568.db2.gz CILLRRICRXPHEU-UHFFFAOYSA-N 0 3 213.325 1.156 20 30 BDEDHN C=CCN(CCOC)CCc1cncn1C ZINC000459428798 203276255 /nfs/dbraw/zinc/27/62/55/203276255.db2.gz WHRKYRWKRNHVDJ-UHFFFAOYSA-N 0 3 223.320 1.097 20 30 BDEDHN CC(C#N)C(=O)NCC1(CO)CC2(CCC2)C1 ZINC000619136673 369294543 /nfs/dbraw/zinc/29/45/43/369294543.db2.gz JEWZEJIBTOBXTJ-JTQLQIEISA-N 0 3 236.315 1.205 20 30 BDEDHN C=CCOCCCN[C@H]1CCC[C@@H]1C#N ZINC000459454979 203285136 /nfs/dbraw/zinc/28/51/36/203285136.db2.gz DQUSBQHXBBBIGW-NEPJUHHUSA-N 0 3 208.305 1.861 20 30 BDEDHN CC(C#N)C(=O)N1CCC2(CCCC2=O)CC1 ZINC000619331012 369311542 /nfs/dbraw/zinc/31/15/42/369311542.db2.gz LSHSNRQLISFHKD-JTQLQIEISA-N 0 3 234.299 1.508 20 30 BDEDHN C=C(CC)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000567748081 326254490 /nfs/dbraw/zinc/25/44/90/326254490.db2.gz JRRKHXWOLAHYPA-LLVKDONJSA-N 0 3 210.321 1.505 20 30 BDEDHN N#CCC1(CN(CCCO)C2CC2)CC1 ZINC000404308593 369426757 /nfs/dbraw/zinc/42/67/57/369426757.db2.gz LUOBYGLKOITCAF-UHFFFAOYSA-N 0 3 208.305 1.527 20 30 BDEDHN CC(C)(CC#N)CNCc1cccc(C(N)=O)c1 ZINC000459739970 203348746 /nfs/dbraw/zinc/34/87/46/203348746.db2.gz ZVWHVUCMESYUKL-UHFFFAOYSA-N 0 3 245.326 1.815 20 30 BDEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCCC1 ZINC000072937926 369511079 /nfs/dbraw/zinc/51/10/79/369511079.db2.gz KDPUMDVLXBABEO-LLVKDONJSA-N 0 3 223.320 1.233 20 30 BDEDHN CC(C)(N)c1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972136 369582432 /nfs/dbraw/zinc/58/24/32/369582432.db2.gz ALNRBKOAHQTYOW-UHFFFAOYSA-N 0 3 241.298 1.392 20 30 BDEDHN CN1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000601995580 369731708 /nfs/dbraw/zinc/73/17/08/369731708.db2.gz FOEFYMUAFXVKKA-UHFFFAOYSA-N 0 3 247.317 1.881 20 30 BDEDHN N#Cc1c(F)cccc1CNC[C@@H]1CC[C@H](O)C1 ZINC000602017849 369735088 /nfs/dbraw/zinc/73/50/88/369735088.db2.gz SDMATZZISVPHEV-PWSUYJOCSA-N 0 3 248.301 1.948 20 30 BDEDHN N#Cc1cccc(CN[C@@H](CO)C2CCCC2)n1 ZINC000602678327 369839811 /nfs/dbraw/zinc/83/98/11/369839811.db2.gz UXJUYDWSGITVNN-AWEZNQCLSA-N 0 3 245.326 1.594 20 30 BDEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN ZINC000602532210 369809076 /nfs/dbraw/zinc/80/90/76/369809076.db2.gz RSIGGCOUXFIWTF-UHFFFAOYSA-N 0 3 245.326 1.502 20 30 BDEDHN C[C@H](O)CC(C)(C)CNCc1cccc(C#N)n1 ZINC000602550145 369811261 /nfs/dbraw/zinc/81/12/61/369811261.db2.gz HLXUUVMQBGVCEM-NSHDSACASA-N 0 3 247.342 1.840 20 30 BDEDHN C[C@@H](O)C[C@@H](C)CNCc1cccc(C#N)n1 ZINC000602561695 369813947 /nfs/dbraw/zinc/81/39/47/369813947.db2.gz ZMYKKUOEISUUGO-GHMZBOCLSA-N 0 3 233.315 1.450 20 30 BDEDHN N#Cc1cccc(CN[C@H]2CC[C@@H](CO)CC2)n1 ZINC000602566825 369814873 /nfs/dbraw/zinc/81/48/73/369814873.db2.gz BNWHTAWWPFGYNV-TXEJJXNPSA-N 0 3 245.326 1.594 20 30 BDEDHN N#Cc1cccc(CN[C@@H](CO)CC2CC2)n1 ZINC000602583448 369818995 /nfs/dbraw/zinc/81/89/95/369818995.db2.gz WTYOZMPTVUXEDE-CYBMUJFWSA-N 0 3 231.299 1.204 20 30 BDEDHN C[C@@H]1CCN(CCNCc2cccc(C#N)n2)C1 ZINC000602593079 369823738 /nfs/dbraw/zinc/82/37/38/369823738.db2.gz HWBYTXSZEPBFFJ-GFCCVEGCSA-N 0 3 244.342 1.385 20 30 BDEDHN CO[C@H](C)CNCc1cccc(C#N)n1 ZINC000602625625 369831049 /nfs/dbraw/zinc/83/10/49/369831049.db2.gz DZKPGAAWRFKQPJ-SECBINFHSA-N 0 3 205.261 1.078 20 30 BDEDHN CN(CCCCCO)Cc1cccc(C#N)n1 ZINC000602641122 369833901 /nfs/dbraw/zinc/83/39/01/369833901.db2.gz URJGJAYOPRITAY-UHFFFAOYSA-N 0 3 233.315 1.548 20 30 BDEDHN CC[C@@H](CNCc1cccc(C#N)n1)OC ZINC000602668825 369838468 /nfs/dbraw/zinc/83/84/68/369838468.db2.gz XEGTYMGWSPYLSL-LBPRGKRZSA-N 0 3 219.288 1.468 20 30 BDEDHN C[C@@H](CC(C)(C)O)NCc1cccc(C#N)n1 ZINC000602678144 369838774 /nfs/dbraw/zinc/83/87/74/369838774.db2.gz CPENBWLREMFZHE-JTQLQIEISA-N 0 3 233.315 1.592 20 30 BDEDHN CC(C)(C)CN(CCO)Cc1cccc(C#N)n1 ZINC000602460132 369789795 /nfs/dbraw/zinc/78/97/95/369789795.db2.gz CRTXIPRBWUOVFJ-UHFFFAOYSA-N 0 3 247.342 1.794 20 30 BDEDHN Cc1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1C#N ZINC000603085763 369881655 /nfs/dbraw/zinc/88/16/55/369881655.db2.gz GUQWBDWIPJKRJV-ZIAGYGMSSA-N 0 3 228.295 1.433 20 30 BDEDHN CC[C@H](N)c1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603222313 369899274 /nfs/dbraw/zinc/89/92/74/369899274.db2.gz JJWMVFGGCVRSKA-NSHDSACASA-N 0 3 242.286 1.003 20 30 BDEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H](CO)C2)n1 ZINC000602691611 369843055 /nfs/dbraw/zinc/84/30/55/369843055.db2.gz FAUOZOBTRAPKRM-VXGBXAGGSA-N 0 3 245.326 1.594 20 30 BDEDHN CCCC[C@](C)(CO)NCc1cccc(C#N)n1 ZINC000602698680 369843119 /nfs/dbraw/zinc/84/31/19/369843119.db2.gz ULNKJOLDJOVPSY-CQSZACIVSA-N 0 3 247.342 1.984 20 30 BDEDHN N#Cc1cccnc1NC[C@@H]1CSCCN1 ZINC000603418301 369961371 /nfs/dbraw/zinc/96/13/71/369961371.db2.gz FUKSMLIASUBMDG-SNVBAGLBSA-N 0 3 234.328 1.070 20 30 BDEDHN CCN1CCN(CCC(C)(C)C#N)C[C@H]1C ZINC000252664601 370108252 /nfs/dbraw/zinc/10/82/52/370108252.db2.gz DGDLEDWKTOCDQF-GFCCVEGCSA-N 0 3 223.364 1.952 20 30 BDEDHN C[C@@H](CC#N)N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000063093252 370131649 /nfs/dbraw/zinc/13/16/49/370131649.db2.gz YFYSOMGUAUNZEP-WCQYABFASA-N 0 3 245.326 1.837 20 30 BDEDHN C=CC[C@@H](CO)NCc1cncc(OCC)c1 ZINC000621344760 370278600 /nfs/dbraw/zinc/27/86/00/370278600.db2.gz SIRLZZVQRSDDPY-LBPRGKRZSA-N 0 3 236.315 1.507 20 30 BDEDHN C[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1CO ZINC000621371890 370308301 /nfs/dbraw/zinc/30/83/01/370308301.db2.gz LXRBHYXVOGESJJ-ZBFHGGJFSA-N 0 3 243.350 1.988 20 30 BDEDHN CCN1CCCN(c2ncccc2C#N)CC1 ZINC000064632837 370353483 /nfs/dbraw/zinc/35/34/83/370353483.db2.gz JCMFLKGMHIVEBK-UHFFFAOYSA-N 0 3 230.315 1.485 20 30 BDEDHN COCC#CCN1CC(C)(C)CC[C@@H]1CO ZINC000621380891 370324584 /nfs/dbraw/zinc/32/45/84/370324584.db2.gz HMUQIZRPOWGPKS-GFCCVEGCSA-N 0 3 225.332 1.119 20 30 BDEDHN N#Cc1cc(NCCN2CCCCC2)ncn1 ZINC000310387142 370341566 /nfs/dbraw/zinc/34/15/66/370341566.db2.gz QRHPPMDSXAIALM-UHFFFAOYSA-N 0 3 231.303 1.246 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1CNC[C@H](C#N)CCC#N ZINC000568618264 326367735 /nfs/dbraw/zinc/36/77/35/326367735.db2.gz BCJFAOJVJKRWJR-AVGNSLFASA-N 0 3 233.315 1.611 20 30 BDEDHN CCN1CCC[C@@H]1CNc1cc(C#N)ccn1 ZINC000019424930 371142668 /nfs/dbraw/zinc/14/26/68/371142668.db2.gz VBVBZDDMYHZAJN-GFCCVEGCSA-N 0 3 230.315 1.849 20 30 BDEDHN CN(C[C@H]1CCCN1C)[C@@H]1CCC[C@@H]1C#N ZINC000092628547 371107060 /nfs/dbraw/zinc/10/70/60/371107060.db2.gz UXMWNZYMWLTBKL-JHJVBQTASA-N 0 3 221.348 1.705 20 30 BDEDHN CC(C)N1CC[C@H](Nc2cc(C#N)ncn2)C1 ZINC000389225481 371124512 /nfs/dbraw/zinc/12/45/12/371124512.db2.gz GWTODCJCDMZNMB-JTQLQIEISA-N 0 3 231.303 1.243 20 30 BDEDHN C[C@H](CC#N)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124135280 371152640 /nfs/dbraw/zinc/15/26/40/371152640.db2.gz HOHROUVIKVBPHL-ZYHUDNBSSA-N 0 3 235.331 1.279 20 30 BDEDHN C[C@@H](CC#N)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124135451 371153199 /nfs/dbraw/zinc/15/31/99/371153199.db2.gz HOHROUVIKVBPHL-JQWIXIFHSA-N 0 3 235.331 1.279 20 30 BDEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](C)CO ZINC000569117545 326391439 /nfs/dbraw/zinc/39/14/39/326391439.db2.gz QCWKQKSHGARRFM-JTQLQIEISA-N 0 3 219.288 1.156 20 30 BDEDHN CN(Cc1ccnc(C#N)c1)CC1(O)CCCC1 ZINC000124304793 371182330 /nfs/dbraw/zinc/18/23/30/371182330.db2.gz KAIQBARDLBOOKI-UHFFFAOYSA-N 0 3 245.326 1.690 20 30 BDEDHN COc1cc(CN[C@H]2CCC[C@@H]2O)ccc1C#N ZINC000281807152 371406937 /nfs/dbraw/zinc/40/69/37/371406937.db2.gz VRYBHASJYLZXEF-STQMWFEESA-N 0 3 246.310 1.570 20 30 BDEDHN Cc1cc(C#N)cc(NC[C@@H]2CCCN2C)n1 ZINC000226036334 371602731 /nfs/dbraw/zinc/60/27/31/371602731.db2.gz CSNFNTQRWCEYSC-LBPRGKRZSA-N 0 3 230.315 1.768 20 30 BDEDHN C[C@@H](C1CC1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000030971158 371999971 /nfs/dbraw/zinc/99/99/71/371999971.db2.gz QRECCHUZEXFEMC-HZMBPMFUSA-N 0 3 249.358 1.525 20 30 BDEDHN CC[C@@H](C#N)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000217943166 372032594 /nfs/dbraw/zinc/03/25/94/372032594.db2.gz NXXHEQOOYDSGLX-UWVGGRQHSA-N 0 3 223.320 1.135 20 30 BDEDHN C=C1CC(C)(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000631770747 372566380 /nfs/dbraw/zinc/56/63/80/372566380.db2.gz 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BDEDHN C=CCOc1ccccc1CNC[C@H]1COCO1 ZINC000894868886 583539104 /nfs/dbraw/zinc/53/91/04/583539104.db2.gz MULUNUGBKXNMMZ-ZDUSSCGKSA-N 0 3 249.310 1.714 20 30 BDEDHN Cc1cn2nc(NCC#CCN(C)C)sc2n1 ZINC000894875723 583541394 /nfs/dbraw/zinc/54/13/94/583541394.db2.gz IPYHOHKTKLXFTR-UHFFFAOYSA-N 0 3 249.343 1.076 20 30 BDEDHN C#CC[C@@H](CO)NC/C=C\c1ccccc1OC ZINC000857760870 588909872 /nfs/dbraw/zinc/90/98/72/588909872.db2.gz TYKFXBCOLAQOCZ-PIZKADEWSA-N 0 3 245.322 1.682 20 30 BDEDHN N#CCc1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880488909 583544531 /nfs/dbraw/zinc/54/45/31/583544531.db2.gz OLEZNTVDUPNNQN-CQSZACIVSA-N 0 3 228.295 1.485 20 30 BDEDHN C#C[C@@H](CC)NC(=O)NCCN1CCC[C@H]1C ZINC000894937422 583558249 /nfs/dbraw/zinc/55/82/49/583558249.db2.gz PJCSFTHURDFFNV-NEPJUHHUSA-N 0 3 237.347 1.182 20 30 BDEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(C)nn1C ZINC000793543985 583589558 /nfs/dbraw/zinc/58/95/58/583589558.db2.gz CKNVBIPUIPFKLZ-NEPJUHHUSA-N 0 3 237.347 1.564 20 30 BDEDHN CC[C@@H](CNCc1cccc(C#N)n1)C(=O)OC 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C[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)C(C)(C)C ZINC000895159418 583609201 /nfs/dbraw/zinc/60/92/01/583609201.db2.gz VLNJVKSFENBNRP-VHSXEESVSA-N 0 3 228.336 1.638 20 30 BDEDHN C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158961 583609225 /nfs/dbraw/zinc/60/92/25/583609225.db2.gz AHPCAZNNYOCDHH-GHMZBOCLSA-N 0 3 226.320 1.701 20 30 BDEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160361 583609525 /nfs/dbraw/zinc/60/95/25/583609525.db2.gz MKTFCFLMHNOAAL-NXEZZACHSA-N 0 3 212.293 1.311 20 30 BDEDHN CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160691 583609672 /nfs/dbraw/zinc/60/96/72/583609672.db2.gz OPBMIGCOLOSOCY-GHMZBOCLSA-N 0 3 228.336 1.638 20 30 BDEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@@H]1CC1(C)C ZINC000895161307 583610284 /nfs/dbraw/zinc/61/02/84/583610284.db2.gz REAPUGHFSUPHSK-LPEHRKFASA-N 0 3 226.320 1.391 20 30 BDEDHN CC(C)[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161965 583610617 /nfs/dbraw/zinc/61/06/17/583610617.db2.gz 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C=C(Cl)CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000839531700 585261510 /nfs/dbraw/zinc/26/15/10/585261510.db2.gz NJUAEIHHXBWYEY-VHSXEESVSA-N 0 3 234.796 1.716 20 30 BDEDHN C#CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000753952429 585273187 /nfs/dbraw/zinc/27/31/87/585273187.db2.gz LWJSRWPEUCOUHF-TZMCWYRMSA-N 0 3 242.322 1.571 20 30 BDEDHN Cc1nnc(C)n1N=C1C[C@@H](C)N(C2CC2)C1 ZINC000753954509 585273282 /nfs/dbraw/zinc/27/32/82/585273282.db2.gz DJCIOMSRDQPTSW-MRVPVSSYSA-N 0 3 233.319 1.356 20 30 BDEDHN C#CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000753970542 585273836 /nfs/dbraw/zinc/27/38/36/585273836.db2.gz MGWMEZOJSLLKQN-CYBMUJFWSA-N 0 3 230.311 1.347 20 30 BDEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000754186021 585279885 /nfs/dbraw/zinc/27/98/85/585279885.db2.gz XBCKLXLCOKDKOV-STQMWFEESA-N 0 3 244.338 1.518 20 30 BDEDHN Cc1nc[nH]c1C=NNc1ccccn1 ZINC000755519861 585301169 /nfs/dbraw/zinc/30/11/69/585301169.db2.gz QMCGLKJNSKAJJB-UHFFFAOYSA-N 0 3 201.233 1.559 20 30 BDEDHN C#CCCCNCc1cn2cccc(F)c2n1 ZINC000756041974 585313650 /nfs/dbraw/zinc/31/36/50/585313650.db2.gz MHUVPLLRWWQKGG-UHFFFAOYSA-N 0 3 231.274 1.976 20 30 BDEDHN C#C[C@@H](NCCc1cncs1)[C@H]1CCCO1 ZINC000839562971 585331143 /nfs/dbraw/zinc/33/11/43/585331143.db2.gz DQDXZFRDBGDUQQ-VXGBXAGGSA-N 0 3 236.340 1.456 20 30 BDEDHN COC(=O)[C@H]1[C@@H]2CN([C@@H](C)CCC#N)C[C@@H]21 ZINC000839604926 585331791 /nfs/dbraw/zinc/33/17/91/585331791.db2.gz HJRHBXIERGAREA-UKKRHICBSA-N 0 3 222.288 1.029 20 30 BDEDHN C#CCOCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000757658429 585344010 /nfs/dbraw/zinc/34/40/10/585344010.db2.gz SPIFGHKODMYSRS-LLVKDONJSA-N 0 3 249.310 1.701 20 30 BDEDHN C[C@H]1CC(=NOCC(F)F)CCN1C ZINC000758904308 585362086 /nfs/dbraw/zinc/36/20/86/585362086.db2.gz UPMLALNZDRKYDD-ZETCQYMHSA-N 0 3 206.236 1.738 20 30 BDEDHN N=C(N)NN=C1CSCCc2ccccc21 ZINC000759178718 585364788 /nfs/dbraw/zinc/36/47/88/585364788.db2.gz DDNZSOLTCLEQIN-UHFFFAOYSA-N 0 3 234.328 1.163 20 30 BDEDHN C#CCCCC(=O)N[C@H](CN(C)C)C(C)C ZINC000760329777 585390336 /nfs/dbraw/zinc/39/03/36/585390336.db2.gz PPEOTPZMMLFCIS-GFCCVEGCSA-N 0 3 224.348 1.492 20 30 BDEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2ccncn2)O1 ZINC000760338066 585390616 /nfs/dbraw/zinc/39/06/16/585390616.db2.gz DFSBIVPCJRJMGB-FOGDFJRCSA-N 0 3 245.282 1.610 20 30 BDEDHN CC[C@H](OC)C(=O)C(C#N)c1ccncn1 ZINC000760356492 585391225 /nfs/dbraw/zinc/39/12/25/585391225.db2.gz HHEBJMVQZHDJHU-WPRPVWTQSA-N 0 3 219.244 1.078 20 30 BDEDHN C#CCCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000760831642 585398514 /nfs/dbraw/zinc/39/85/14/585398514.db2.gz BPKVJAAAYNQZOW-GFCCVEGCSA-N 0 3 220.316 1.097 20 30 BDEDHN CCN(C[C@@H](C)C#N)C(=O)C1(N(C)C)CCC1 ZINC000763002803 585441093 /nfs/dbraw/zinc/44/10/93/585441093.db2.gz AHOODSFLEIHKMC-NSHDSACASA-N 0 3 237.347 1.479 20 30 BDEDHN C=C(Cl)CNC(=O)C1(N(C)C)CCC1 ZINC000763052525 585442574 /nfs/dbraw/zinc/44/25/74/585442574.db2.gz PDEANDNNQVGQJF-UHFFFAOYSA-N 0 3 216.712 1.339 20 30 BDEDHN C=CCN(C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763735255 585453495 /nfs/dbraw/zinc/45/34/95/585453495.db2.gz OFQDWDDEWPMFRQ-LLVKDONJSA-N 0 3 221.300 1.733 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1ccco1 ZINC000763873338 585455904 /nfs/dbraw/zinc/45/59/04/585455904.db2.gz DCVGJDLKZWVTTI-UHFFFAOYSA-N 0 3 208.261 1.014 20 30 BDEDHN C=C(CN(C)C)C(=O)N(CCC)CCC ZINC000763898716 585456489 /nfs/dbraw/zinc/45/64/89/585456489.db2.gz INYUVSBAXRMOQY-UHFFFAOYSA-N 0 3 212.337 1.753 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cccs1 ZINC000763925765 585457011 /nfs/dbraw/zinc/45/70/11/585457011.db2.gz BFGOMEHJNXTAOU-UHFFFAOYSA-N 0 3 224.329 1.482 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1cccnc1 ZINC000763953387 585457511 /nfs/dbraw/zinc/45/75/11/585457511.db2.gz IVBSURJQGLUMRG-LLVKDONJSA-N 0 3 233.315 1.377 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCC(C)C ZINC000764188501 585461265 /nfs/dbraw/zinc/46/12/65/585461265.db2.gz TXQHGQUXEWJHOB-UHFFFAOYSA-N 0 3 212.337 1.657 20 30 BDEDHN C#CCCN1CCCC[C@@H]1C1OCCO1 ZINC000764231553 585462188 /nfs/dbraw/zinc/46/21/88/585462188.db2.gz GGZFFICJQARCER-LLVKDONJSA-N 0 3 209.289 1.237 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cnccc1OC ZINC000764461486 585466026 /nfs/dbraw/zinc/46/60/26/585466026.db2.gz OMNCQQPEQMAQLS-UHFFFAOYSA-N 0 3 235.287 1.147 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000764541211 585467739 /nfs/dbraw/zinc/46/77/39/585467739.db2.gz PWTJPPWXTSIPGY-FZMZJTMJSA-N 0 3 249.358 1.693 20 30 BDEDHN C#CCCOC(=O)N1CCCC[C@H]1CN(C)C ZINC000859226962 589022270 /nfs/dbraw/zinc/02/22/70/589022270.db2.gz UIVRCLJKNPMYIJ-LBPRGKRZSA-N 0 3 238.331 1.562 20 30 BDEDHN C#CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764780701 585472981 /nfs/dbraw/zinc/47/29/81/585472981.db2.gz RTCGMYPZMIRLGF-ZDUSSCGKSA-N 0 3 249.358 1.326 20 30 BDEDHN CC#CCCN1CCCC[C@H]1CN1CCCC1=O ZINC000764960155 585478110 /nfs/dbraw/zinc/47/81/10/585478110.db2.gz KBAZFZVPALNODA-AWEZNQCLSA-N 0 3 248.370 1.877 20 30 BDEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C)o1 ZINC000765506494 585488336 /nfs/dbraw/zinc/48/83/36/585488336.db2.gz FUINBXUFTDHWHV-LLVKDONJSA-N 0 3 234.299 1.378 20 30 BDEDHN Fc1ccc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000765575048 585490121 /nfs/dbraw/zinc/49/01/21/585490121.db2.gz FOWDHZYDDAWNPL-LLVKDONJSA-N 0 3 234.278 1.857 20 30 BDEDHN C#CCCOC(=O)N[C@H]1CCN(CCC)C1 ZINC000859227511 589022710 /nfs/dbraw/zinc/02/27/10/589022710.db2.gz HRMAAUVEOFGWFC-NSHDSACASA-N 0 3 224.304 1.220 20 30 BDEDHN C#CCC(C)(C)C(=O)N(C)CCN1CCCC1 ZINC000767077640 585513433 /nfs/dbraw/zinc/51/34/33/585513433.db2.gz IUPIUZORDACMPT-UHFFFAOYSA-N 0 3 236.359 1.590 20 30 BDEDHN C#CCOc1ccccc1CN1CC[C@@H](OC)C1 ZINC000769447846 585557010 /nfs/dbraw/zinc/55/70/10/585557010.db2.gz YNLXMOAQDCFEOI-CQSZACIVSA-N 0 3 245.322 1.919 20 30 BDEDHN CO[C@@H](C(=O)C(C#N)c1ccccn1)C(C)C ZINC000770839834 585582767 /nfs/dbraw/zinc/58/27/67/585582767.db2.gz QKRTXWFEFDBHGC-GXFFZTMASA-N 0 3 232.283 1.929 20 30 BDEDHN Cc1[nH]ncc1CNc1cccc(CC#N)n1 ZINC000771757265 585599684 /nfs/dbraw/zinc/59/96/84/585599684.db2.gz PGKQIGITTCVYMK-UHFFFAOYSA-N 0 3 227.271 1.791 20 30 BDEDHN C#CCCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000773344154 585635228 /nfs/dbraw/zinc/63/52/28/585635228.db2.gz KONXNZKLLDLBFP-AWEZNQCLSA-N 0 3 248.370 1.781 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1cnc(C)s1 ZINC000773851076 585644920 /nfs/dbraw/zinc/64/49/20/585644920.db2.gz ZIDMUEANIWVJDC-UHFFFAOYSA-N 0 3 239.344 1.186 20 30 BDEDHN C1C[C@@H]2C(=NOC3CCOCC3)CCN2C1 ZINC000774440569 585658974 /nfs/dbraw/zinc/65/89/74/585658974.db2.gz HZBOMWBUIYMGBR-GFCCVEGCSA-N 0 3 224.304 1.406 20 30 BDEDHN CC(C)N1CC(=NOC2CCOCC2)[C@H](C)C1 ZINC000774457705 585659597 /nfs/dbraw/zinc/65/95/97/585659597.db2.gz MASOPOLRSSVMPG-LLVKDONJSA-N 0 3 240.347 1.898 20 30 BDEDHN C#C[C@H](C)NC(=O)NCCN1CCCC[C@H]1C ZINC000775431436 585677942 /nfs/dbraw/zinc/67/79/42/585677942.db2.gz YVBRDRIOHYKBMR-NWDGAFQWSA-N 0 3 237.347 1.182 20 30 BDEDHN CC[C@H]1[C@H](C)CCN1CC(=O)NCCC#N ZINC000775783321 585684479 /nfs/dbraw/zinc/68/44/79/585684479.db2.gz PQGZKIQQLDVUQD-MNOVXSKESA-N 0 3 223.320 1.137 20 30 BDEDHN C#C[C@H](NCCn1nc(C)cc1C)[C@@H]1CCCO1 ZINC000775785554 585684678 /nfs/dbraw/zinc/68/46/78/585684678.db2.gz PRANZIPQFARMTJ-KBPBESRZSA-N 0 3 247.342 1.270 20 30 BDEDHN C#C[C@@H](NCCC(=O)OC(C)C)[C@@H]1CCCO1 ZINC000775792205 585684895 /nfs/dbraw/zinc/68/48/95/585684895.db2.gz YRHUXOUASWUFEE-NEPJUHHUSA-N 0 3 239.315 1.099 20 30 BDEDHN C#C[C@H](NCCCOC(C)(C)C)[C@H]1CCCO1 ZINC000775789917 585684939 /nfs/dbraw/zinc/68/49/39/585684939.db2.gz FBPGLQPHMWQDSO-QWHCGFSZSA-N 0 3 239.359 1.962 20 30 BDEDHN C#C[C@@H](NC1CC(OC(C)C)C1)[C@H]1CCCO1 ZINC000779171774 585746655 /nfs/dbraw/zinc/74/66/55/585746655.db2.gz MTCCWINEQUTUAG-NWINJMCUSA-N 0 3 237.343 1.713 20 30 BDEDHN CC(=NNC1=NC[C@@H](C)N1)c1sccc1C ZINC000779790875 585763943 /nfs/dbraw/zinc/76/39/43/585763943.db2.gz BVJRLBFRCYTTEE-MRVPVSSYSA-N 0 3 236.344 1.718 20 30 BDEDHN CCC(=NNC1=NC[C@@H](C)N1)c1ccccc1 ZINC000779793988 585764170 /nfs/dbraw/zinc/76/41/70/585764170.db2.gz ZGLKINXFNCUSIT-SNVBAGLBSA-N 0 3 230.315 1.738 20 30 BDEDHN C[C@@H]1CC(N=Nc2ccncc2)CCN1C ZINC000779810431 585766094 /nfs/dbraw/zinc/76/60/94/585766094.db2.gz ADWVIOWLDNJFAA-SNVBAGLBSA-N 0 3 218.304 1.386 20 30 BDEDHN COc1ccc(N=NC2CCN3CCC[C@@H]23)nc1 ZINC000780275487 585776289 /nfs/dbraw/zinc/77/62/89/585776289.db2.gz XZYOISKDLFAZBC-LBPRGKRZSA-N 0 3 246.314 1.726 20 30 BDEDHN C#CCCCCCC(=O)N[C@H]1CCCN(C)C1 ZINC000780399621 585778626 /nfs/dbraw/zinc/77/86/26/585778626.db2.gz MHPUWBLQKMGYMN-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN C#CCCCCCC(=O)NC[C@@H]1CCCN1C ZINC000780408844 585778838 /nfs/dbraw/zinc/77/88/38/585778838.db2.gz QSVFETZEXAAYPW-ZDUSSCGKSA-N 0 3 236.359 1.781 20 30 BDEDHN COC1(C(=O)C(C#N)c2ccccn2)CCC1 ZINC000781761445 585802658 /nfs/dbraw/zinc/80/26/58/585802658.db2.gz HKFKZUVWQWGCSJ-JTQLQIEISA-N 0 3 230.267 1.827 20 30 BDEDHN Cc1c[nH+]ccc1N1CCC(C(=O)N[O-])CC1 ZINC000782173007 585809558 /nfs/dbraw/zinc/80/95/58/585809558.db2.gz GSOZWGWYCRKOOO-UHFFFAOYSA-N 0 3 235.287 1.112 20 30 BDEDHN C=CCNC(=S)NCC1(N(C)C)CCC1 ZINC000782214801 585812333 /nfs/dbraw/zinc/81/23/33/585812333.db2.gz RJUXNYGZPFATFJ-UHFFFAOYSA-N 0 3 227.377 1.121 20 30 BDEDHN C#CCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000786441545 585891702 /nfs/dbraw/zinc/89/17/02/585891702.db2.gz BPIFDHGKRIFHKY-RWMBFGLXSA-N 0 3 235.327 1.673 20 30 BDEDHN CCOC1CC(N(C)CCO[C@H](C)C#N)C1 ZINC000805819609 585897895 /nfs/dbraw/zinc/89/78/95/585897895.db2.gz WIWMSRBFUMEKKH-VOMCLLRMSA-N 0 3 226.320 1.414 20 30 BDEDHN CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787073245 585900470 /nfs/dbraw/zinc/90/04/70/585900470.db2.gz OKPWHBPRKHPLDK-GFCCVEGCSA-N 0 3 230.267 1.374 20 30 BDEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000787326646 585907188 /nfs/dbraw/zinc/90/71/88/585907188.db2.gz JCDIGJFAUSLCGK-SDDRHHMPSA-N 0 3 223.316 1.672 20 30 BDEDHN CC(=NNC(=N)N)c1ccc(C#N)cc1Cl ZINC000788424631 585922896 /nfs/dbraw/zinc/92/28/96/585922896.db2.gz JSTDYDTVIXMADB-UHFFFAOYSA-N 0 3 235.678 1.419 20 30 BDEDHN CC(=NN[C@@H]1CCOC1)c1ccc(N)cc1C ZINC000788438510 585923266 /nfs/dbraw/zinc/92/32/66/585923266.db2.gz DLBBZFZSTRHSNV-GFCCVEGCSA-N 0 3 233.315 1.680 20 30 BDEDHN Cn1[n-]ccc1=NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788441936 585923870 /nfs/dbraw/zinc/92/38/70/585923870.db2.gz XVIGKWQWGADYHQ-NSHDSACASA-N 0 3 235.335 1.114 20 30 BDEDHN C#CCCN1CCC(NC(=O)/C(=C\C)CC)CC1 ZINC000789781240 585949942 /nfs/dbraw/zinc/94/99/42/585949942.db2.gz PTGJRBYAXDCZMK-ACAGNQJTSA-N 0 3 248.370 1.947 20 30 BDEDHN C#CCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000789802550 585950441 /nfs/dbraw/zinc/95/04/41/585950441.db2.gz YRJSTXWJHMZPGY-GFCCVEGCSA-N 0 3 221.300 1.570 20 30 BDEDHN C#CCCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000791554682 585983775 /nfs/dbraw/zinc/98/37/75/585983775.db2.gz UIAKJDNDHBROLL-WCQYABFASA-N 0 3 207.317 1.899 20 30 BDEDHN N=C(N)NN=C1COCc2cccc(Cl)c21 ZINC000794488628 586040528 /nfs/dbraw/zinc/04/05/28/586040528.db2.gz JQPVEVPYSRGUDS-UHFFFAOYSA-N 0 3 238.678 1.057 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CC(C)(CC)C1 ZINC000794529521 586042308 /nfs/dbraw/zinc/04/23/08/586042308.db2.gz HOPVSAVBWLLOLJ-UHFFFAOYSA-N 0 3 210.321 1.363 20 30 BDEDHN C#CCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000796078521 586097328 /nfs/dbraw/zinc/09/73/28/586097328.db2.gz CXVSNTTYAWOCIE-ZDUSSCGKSA-N 0 3 223.316 1.281 20 30 BDEDHN CN(CC(=O)NCCC#N)[C@@H]1CCC(C)(C)C1 ZINC000796529553 586106034 /nfs/dbraw/zinc/10/60/34/586106034.db2.gz BYKRMFVWDFLYAI-LLVKDONJSA-N 0 3 237.347 1.527 20 30 BDEDHN CO[C@@H](C(=O)C(C#N)c1ccccn1)C1CC1 ZINC000796632250 586108807 /nfs/dbraw/zinc/10/88/07/586108807.db2.gz MEVDKXNUTPVMGU-ZWNOBZJWSA-N 0 3 230.267 1.683 20 30 BDEDHN CC1(C)CC(C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000796771975 586112230 /nfs/dbraw/zinc/11/22/30/586112230.db2.gz NYDHWFISOCEILN-LLVKDONJSA-N 0 3 248.326 1.754 20 30 BDEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@H](C)CC ZINC000796797026 586113060 /nfs/dbraw/zinc/11/30/60/586113060.db2.gz GNKGXYCZTIUNCL-GHMZBOCLSA-N 0 3 236.315 1.824 20 30 BDEDHN C#C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)C(C)C ZINC000798543190 586144716 /nfs/dbraw/zinc/14/47/16/586144716.db2.gz QLXSVBFJUKGRJE-NWDGAFQWSA-N 0 3 237.347 1.038 20 30 BDEDHN 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C=C(Cl)C[C@H](N)C(=O)NCC(C)C ZINC000876547123 590213926 /nfs/dbraw/zinc/21/39/26/590213926.db2.gz IPPYXKBACPVAMY-QMMMGPOBSA-N 0 3 204.701 1.229 20 30 BDEDHN C#C[C@H](C)NC(=O)N1CCN(C)C(C)(C)CC1 ZINC000875718811 590169234 /nfs/dbraw/zinc/16/92/34/590169234.db2.gz DCXXVXYYBOGGLP-NSHDSACASA-N 0 3 237.347 1.134 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000876543980 590212596 /nfs/dbraw/zinc/21/25/96/590212596.db2.gz MMHMXILLRWDMDN-KXUCPTDWSA-N 0 3 246.738 1.092 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCC ZINC000876546726 590214227 /nfs/dbraw/zinc/21/42/27/590214227.db2.gz SVAHCNMHTKFNOY-SECBINFHSA-N 0 3 218.728 1.715 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C(C)C ZINC000876549253 590214572 /nfs/dbraw/zinc/21/45/72/590214572.db2.gz MEWOCDUADSHVHQ-QMMMGPOBSA-N 0 3 204.701 1.323 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccs1 ZINC000876553917 590214962 /nfs/dbraw/zinc/21/49/62/590214962.db2.gz VPNNTOWYFDNKCZ-SECBINFHSA-N 0 3 244.747 1.834 20 30 BDEDHN 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N[C@@H]1Cc2ccccc2N(C(=O)C#CC2CC2)C1 ZINC000876925773 590257867 /nfs/dbraw/zinc/25/78/67/590257867.db2.gz PWFMRJNQHYFRKZ-CYBMUJFWSA-N 0 3 240.306 1.316 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(=C)CC1 ZINC000876943395 590259460 /nfs/dbraw/zinc/25/94/60/590259460.db2.gz FIRMOQMHGMYBOH-SNVBAGLBSA-N 0 3 228.723 1.635 20 30 BDEDHN CCCCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000876989245 590265807 /nfs/dbraw/zinc/26/58/07/590265807.db2.gz WHQDLUFZNJRDOL-SNVBAGLBSA-N 0 3 241.335 1.177 20 30 BDEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C(F)F)CC1 ZINC000877080033 590279912 /nfs/dbraw/zinc/27/99/12/590279912.db2.gz NNCSKLNXPVEMFL-LURJTMIESA-N 0 3 238.665 1.370 20 30 BDEDHN C=CC[C@H](CO)CNCc1ccc(Cl)nn1 ZINC000877130575 590289812 /nfs/dbraw/zinc/28/98/12/590289812.db2.gz MTESMKXSBLHFSP-VIFPVBQESA-N 0 3 241.722 1.404 20 30 BDEDHN C=C(Cl)CNC[C@@H](OC)C1CCOCC1 ZINC000877149530 590293015 /nfs/dbraw/zinc/29/30/15/590293015.db2.gz OMMGRKRMCNVYNQ-LLVKDONJSA-N 0 3 233.739 1.770 20 30 BDEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877178962 590297731 /nfs/dbraw/zinc/29/77/31/590297731.db2.gz FRMVKSKOJNRLFB-GARJFASQSA-N 0 3 241.310 1.404 20 30 BDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C)CCOCC1 ZINC000877233073 590301696 /nfs/dbraw/zinc/30/16/96/590301696.db2.gz KEBZMYXFVPLDBK-SECBINFHSA-N 0 3 246.738 1.142 20 30 BDEDHN N#Cc1cccc(NC(=O)[C@]2(F)CCNC2)c1 ZINC000877232751 590301902 /nfs/dbraw/zinc/30/19/02/590301902.db2.gz AYKVFFVACKASKH-LBPRGKRZSA-N 0 3 233.246 1.198 20 30 BDEDHN C=CC(C)(C)CCCNC(=O)[C@H](N)CC ZINC000877304361 590306823 /nfs/dbraw/zinc/30/68/23/590306823.db2.gz YZMRNPCAUQUKCY-SNVBAGLBSA-N 0 3 212.337 1.832 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877308237 590311601 /nfs/dbraw/zinc/31/16/01/590311601.db2.gz QQHCHKFDYRPCOG-STQMWFEESA-N 0 3 249.358 1.870 20 30 BDEDHN C#C[C@H](N[C@@H]1CS[C@H](C)C1)[C@H]1CCCO1 ZINC000877416572 590322907 /nfs/dbraw/zinc/32/29/07/590322907.db2.gz KBPRVHBWBBVSQS-NOOOWODRSA-N 0 3 225.357 1.651 20 30 BDEDHN 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CC(C)C1(O)CN(C[C@@H](C)CCC#N)C1 ZINC000877580296 590364303 /nfs/dbraw/zinc/36/43/03/590364303.db2.gz PJMKBNOZAGWFCW-NSHDSACASA-N 0 3 210.321 1.629 20 30 BDEDHN C=CC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000877906449 590444867 /nfs/dbraw/zinc/44/48/67/590444867.db2.gz BVNUSBVTUSVZOC-GFCCVEGCSA-N 0 3 232.331 1.563 20 30 BDEDHN C=CC[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000877974893 590464512 /nfs/dbraw/zinc/46/45/12/590464512.db2.gz DOLZLKBSMMYELH-GFCCVEGCSA-N 0 3 208.349 1.979 20 30 BDEDHN C=CC[C@H](C)N1CCN(Cc2nccn2C)CC1 ZINC000878079130 590487661 /nfs/dbraw/zinc/48/76/61/590487661.db2.gz RUKYIVJLYMPNTF-ZDUSSCGKSA-N 0 3 248.374 1.502 20 30 BDEDHN C=C1CCN(CCc2ccc(C(N)=O)cc2)CC1 ZINC000878086918 590490133 /nfs/dbraw/zinc/49/01/33/590490133.db2.gz CJVJYHHGQDYCPR-UHFFFAOYSA-N 0 3 244.338 1.980 20 30 BDEDHN C=CC[C@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000878125812 590501021 /nfs/dbraw/zinc/50/10/21/590501021.db2.gz RKRWJZIKCDDAFG-QWRGUYRKSA-N 0 3 231.361 1.318 20 30 BDEDHN C=CC[C@@H](C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000878125810 590501549 /nfs/dbraw/zinc/50/15/49/590501549.db2.gz RKRWJZIKCDDAFG-GHMZBOCLSA-N 0 3 231.361 1.318 20 30 BDEDHN C=CC[C@@H](C)N1CCN(C2CCOCC2)CC1 ZINC000878161396 590510117 /nfs/dbraw/zinc/51/01/17/590510117.db2.gz QNQBYRWCWZRYFK-CYBMUJFWSA-N 0 3 238.375 1.748 20 30 BDEDHN CNC(=O)C1(NCC2(CC#N)CC2)CCCC1 ZINC000878248566 590528574 /nfs/dbraw/zinc/52/85/74/590528574.db2.gz BZJRSIGRFIRLHY-UHFFFAOYSA-N 0 3 235.331 1.329 20 30 BDEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H]1C[C@@H](C)O ZINC000878294831 590536077 /nfs/dbraw/zinc/53/60/77/590536077.db2.gz RPRXCDXMZSKWDB-IJLUTSLNSA-N 0 3 241.331 1.339 20 30 BDEDHN C=CCN(CCc1ccc(C(N)=O)cc1)C1CC1 ZINC000878341763 590551775 /nfs/dbraw/zinc/55/17/75/590551775.db2.gz HEDVDRQAGMBPTM-UHFFFAOYSA-N 0 3 244.338 1.978 20 30 BDEDHN C=C(C)CN(C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878383207 590557641 /nfs/dbraw/zinc/55/76/41/590557641.db2.gz LIRLQCYXDDMXCJ-ZDUSSCGKSA-N 0 3 241.375 1.941 20 30 BDEDHN C#CCN(C[C@@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000878434199 590567505 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ZINC000883399280 583794291 /nfs/dbraw/zinc/79/42/91/583794291.db2.gz IUPZCEFOZDGNQE-NSHDSACASA-N 0 3 223.320 1.145 20 30 BDEDHN C=C(Cl)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000897437530 583982555 /nfs/dbraw/zinc/98/25/55/583982555.db2.gz KZYGNGNWOVKYLK-VIFPVBQESA-N 0 3 245.754 1.380 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cncn1C(C)C ZINC000858334013 588946552 /nfs/dbraw/zinc/94/65/52/588946552.db2.gz FXNWUNFHAPTIIE-CYBMUJFWSA-N 0 3 249.358 1.982 20 30 BDEDHN C=C(C)CN(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897442549 583984603 /nfs/dbraw/zinc/98/46/03/583984603.db2.gz XTKVNPDKRLBRGQ-GFCCVEGCSA-N 0 3 239.363 1.546 20 30 BDEDHN C#CC[C@H](CCOC)NCc1cnc(C)s1 ZINC000858333941 588946630 /nfs/dbraw/zinc/94/66/30/588946630.db2.gz PWOWBIUEPZHOBW-LLVKDONJSA-N 0 3 238.356 1.970 20 30 BDEDHN C#CC[C@@H](CCOC)NCc1ccnn1CCC ZINC000858334486 588946741 /nfs/dbraw/zinc/94/67/41/588946741.db2.gz NXARTKQKNVMRIP-ZDUSSCGKSA-N 0 3 249.358 1.811 20 30 BDEDHN C#CCN(CC#C)CCN(C)Cc1ccccc1 ZINC000788023547 583993018 /nfs/dbraw/zinc/99/30/18/583993018.db2.gz SUBUTWRGJDQQQN-UHFFFAOYSA-N 0 3 240.350 1.687 20 30 BDEDHN C=CCCN(C)C(=O)NCCN1CCC[C@H]1C ZINC000897498174 583997269 /nfs/dbraw/zinc/99/72/69/583997269.db2.gz KJTPNMHBTBBZAH-GFCCVEGCSA-N 0 3 239.363 1.688 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)NCCN1CCC[C@H]1C ZINC000897498638 583997356 /nfs/dbraw/zinc/99/73/56/583997356.db2.gz VFGHWPVNSLXITH-NWDGAFQWSA-N 0 3 237.347 1.134 20 30 BDEDHN C=C1CCC(C(=O)NOCCN(C)C)CC1 ZINC000897878211 584057415 /nfs/dbraw/zinc/05/74/15/584057415.db2.gz ZOSHLWHASVRBBB-UHFFFAOYSA-N 0 3 226.320 1.342 20 30 BDEDHN N#Cc1cccc(CNCC[C@@H](O)C2CC2)c1 ZINC000898206034 584091480 /nfs/dbraw/zinc/09/14/80/584091480.db2.gz KEZXVUWHHVENPP-CQSZACIVSA-N 0 3 230.311 1.809 20 30 BDEDHN N#CCC1CCN(c2ccnc(CO)c2)CC1 ZINC000858476786 588958723 /nfs/dbraw/zinc/95/87/23/588958723.db2.gz DRPDRGUMIROIQE-UHFFFAOYSA-N 0 3 231.299 1.704 20 30 BDEDHN C=CC(C)(C)NCc1c[nH]c(C(=O)OC)c1 ZINC000898457095 584136721 /nfs/dbraw/zinc/13/67/21/584136721.db2.gz KRKUORUCFMOLHS-UHFFFAOYSA-N 0 3 222.288 1.856 20 30 BDEDHN C=CC(C)(C)NCc1cccc(C(N)=O)c1 ZINC000898456764 584136909 /nfs/dbraw/zinc/13/69/09/584136909.db2.gz GLTAHIVRHNYAQP-UHFFFAOYSA-N 0 3 218.300 1.840 20 30 BDEDHN C=CC(C)(C)NCc1ccc(C(=O)OC)[nH]1 ZINC000898458068 584137156 /nfs/dbraw/zinc/13/71/56/584137156.db2.gz WMLPRVLEMYQXGY-UHFFFAOYSA-N 0 3 222.288 1.856 20 30 BDEDHN C=CC(C)(C)NCc1c2c(nn1C)CCC2 ZINC000898462595 584138971 /nfs/dbraw/zinc/13/89/71/584138971.db2.gz QDDDAZIRVFGKNA-UHFFFAOYSA-N 0 3 219.332 1.963 20 30 BDEDHN N#CCC1(CNc2ccnc(CO)c2)CC1 ZINC000858524901 588962944 /nfs/dbraw/zinc/96/29/44/588962944.db2.gz MEOYYPYEXJSFFU-UHFFFAOYSA-N 0 3 217.272 1.680 20 30 BDEDHN CC(C)C[C@H](C#N)NC(=O)C12CCN(CC1)C2 ZINC000900510296 584320152 /nfs/dbraw/zinc/32/01/52/584320152.db2.gz ZUWGJLUDAXLMEQ-LLVKDONJSA-N 0 3 235.331 1.137 20 30 BDEDHN CC(=NNC[C@@H]1CCSC1)c1c[nH]c(N)n1 ZINC000901243774 584407256 /nfs/dbraw/zinc/40/72/56/584407256.db2.gz MAEGBLKZKQNNSM-QMMMGPOBSA-N 0 3 239.348 1.059 20 30 BDEDHN COC[C@@H](CNC[C@@H](C#N)CCC#N)C(C)C ZINC000901625146 584470374 /nfs/dbraw/zinc/47/03/74/584470374.db2.gz WDKXOOXXCACWAH-CHWSQXEVSA-N 0 3 237.347 1.938 20 30 BDEDHN CC[C@H](NCCO)c1cccc(C#N)c1 ZINC000902728060 584661991 /nfs/dbraw/zinc/66/19/91/584661991.db2.gz JZOVOCDEKWHMRG-LBPRGKRZSA-N 0 3 204.273 1.591 20 30 BDEDHN CC[C@H](N[C@@H](C)CO)c1cccc(C#N)c1 ZINC000902821812 584675774 /nfs/dbraw/zinc/67/57/74/584675774.db2.gz LHICZDVKFQPOHX-GWCFXTLKSA-N 0 3 218.300 1.980 20 30 BDEDHN C[C@H](C[C@H](C)O)N[C@H](C)c1cc(C#N)ccn1 ZINC000902947297 584703409 /nfs/dbraw/zinc/70/34/09/584703409.db2.gz GKAHJOFGSICQKC-OUAUKWLOSA-N 0 3 233.315 1.763 20 30 BDEDHN C[C@H](O)C[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902947295 584703487 /nfs/dbraw/zinc/70/34/87/584703487.db2.gz GKAHJOFGSICQKC-DCAQKATOSA-N 0 3 233.315 1.763 20 30 BDEDHN C[C@@H](NCC1(CCO)CC1)c1cc(C#N)ccn1 ZINC000902964187 584707262 /nfs/dbraw/zinc/70/72/62/584707262.db2.gz KIOHQTISNHTNIB-LLVKDONJSA-N 0 3 245.326 1.766 20 30 BDEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cc(C#N)ccn1 ZINC000902964858 584707418 /nfs/dbraw/zinc/70/74/18/584707418.db2.gz ZLIOMRJHCUTAJV-XDTLVQLUSA-N 0 3 245.326 1.763 20 30 BDEDHN C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902970380 584712424 /nfs/dbraw/zinc/71/24/24/584712424.db2.gz MKTSGVNZCQLKQO-CYZMBNFOSA-N 0 3 245.326 1.765 20 30 BDEDHN C[C@H](NCCC1CC(O)C1)c1cc(C#N)ccn1 ZINC000902973998 584712824 /nfs/dbraw/zinc/71/28/24/584712824.db2.gz ZVKROLJLMIEWRZ-ZBOXLXRLSA-N 0 3 245.326 1.765 20 30 BDEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903012368 584718135 /nfs/dbraw/zinc/71/81/35/584718135.db2.gz OXTASQJGQAOTGK-WCQYABFASA-N 0 3 245.326 1.931 20 30 BDEDHN CCN1CC[C@H]1CN[C@H](C)c1cc(C#N)ccn1 ZINC000903089393 584725437 /nfs/dbraw/zinc/72/54/37/584725437.db2.gz SZUSXIRRJZXXNM-YPMHNXCESA-N 0 3 244.342 1.698 20 30 BDEDHN C=CC1CCN(Cc2ccc(N)nn2)CC1 ZINC000904320209 584863895 /nfs/dbraw/zinc/86/38/95/584863895.db2.gz DQCUCMJJICZZKT-UHFFFAOYSA-N 0 3 218.304 1.457 20 30 BDEDHN CC(C)(C)C#CC(=O)NC[C@H](N)c1ccccc1 ZINC000876524162 584885668 /nfs/dbraw/zinc/88/56/68/584885668.db2.gz KQVRBNDJQIHGOS-ZDUSSCGKSA-N 0 3 244.338 1.852 20 30 BDEDHN CC(C)C[C@H](O)CNCc1cccc(C#N)n1 ZINC000876988053 584888486 /nfs/dbraw/zinc/88/84/86/584888486.db2.gz SXPZCUHJOIYHDO-ZDUSSCGKSA-N 0 3 233.315 1.450 20 30 BDEDHN C[C@@H](CO)N(C)N=C1CCCc2cc(N)ccc21 ZINC000842539517 584901089 /nfs/dbraw/zinc/90/10/89/584901089.db2.gz YISGOVXSVGVAGR-JTQLQIEISA-N 0 3 247.342 1.622 20 30 BDEDHN CCC(=NN(C)[C@H](C)CO)c1cccc(N)c1 ZINC000842539759 584901284 /nfs/dbraw/zinc/90/12/84/584901284.db2.gz BIVBYWZURVADTO-SNVBAGLBSA-N 0 3 235.331 1.696 20 30 BDEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccco1 ZINC000753940216 584911170 /nfs/dbraw/zinc/91/11/70/584911170.db2.gz SELNDPSXJQMMRK-QWRGUYRKSA-N 0 3 246.314 1.864 20 30 BDEDHN N#CCN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000730578720 584912927 /nfs/dbraw/zinc/91/29/27/584912927.db2.gz MLTVFLRHENTMDJ-UHFFFAOYSA-N 0 3 245.326 1.470 20 30 BDEDHN COC[C@H](C)NN=C1CCc2cc(N)ccc21 ZINC000834970102 584916081 /nfs/dbraw/zinc/91/60/81/584916081.db2.gz HEPGKTYRMHOGGZ-VIFPVBQESA-N 0 3 233.315 1.544 20 30 BDEDHN C=C(Cl)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000732412158 584937003 /nfs/dbraw/zinc/93/70/03/584937003.db2.gz DKOLCYUPRDAETB-LLVKDONJSA-N 0 3 214.740 1.907 20 30 BDEDHN CC[C@@H](C(=O)NC1=NO[C@H](C)C1)N(CC)CC ZINC000765456002 584937732 /nfs/dbraw/zinc/93/77/32/584937732.db2.gz UZKOEQQVCVROBB-ZJUUUORDSA-N 0 3 241.335 1.345 20 30 BDEDHN O=C(C#CC1CC1)NC1CC(N2CCCCC2)C1 ZINC000837594002 584938147 /nfs/dbraw/zinc/93/81/47/584938147.db2.gz VOLGCUFHWBHUOR-UHFFFAOYSA-N 0 3 246.354 1.533 20 30 BDEDHN N=C(N)N=NC1CCC[C@H]1c1ccccc1 ZINC000732527094 584938429 /nfs/dbraw/zinc/93/84/29/584938429.db2.gz HLADDSOWHGBFIU-JTQLQIEISA-N 0 3 216.288 1.793 20 30 BDEDHN C#CCCCN1CCCN(C(=O)C(C)C)CC1 ZINC000766895546 584944439 /nfs/dbraw/zinc/94/44/39/584944439.db2.gz LIWJJMATCIBAQT-UHFFFAOYSA-N 0 3 236.359 1.590 20 30 BDEDHN CCCCCCCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000769942299 584973933 /nfs/dbraw/zinc/97/39/33/584973933.db2.gz HNBHNMFNGCKWIO-KGLIPLIRSA-N 0 3 240.391 1.972 20 30 BDEDHN C[C@H]1CC(=NO[C@H]2CCCCO2)CCN1C ZINC000755820317 584987311 /nfs/dbraw/zinc/98/73/11/584987311.db2.gz LCGSKCNTPZZBDL-JQWIXIFHSA-N 0 3 226.320 2.000 20 30 BDEDHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(C)C#N ZINC000736684469 585009828 /nfs/dbraw/zinc/00/98/28/585009828.db2.gz WOJFSYXTHYONAF-PELKAZGASA-N 0 3 244.298 1.438 20 30 BDEDHN C#CCNC(=O)CN1CCCC[C@H]1[C@H](C)CC ZINC000738315743 585042734 /nfs/dbraw/zinc/04/27/34/585042734.db2.gz ZSWWSWPEFJSXQQ-OLZOCXBDSA-N 0 3 236.359 1.636 20 30 BDEDHN N#CCOC(=O)C1CN(C2CCCCC2)C1 ZINC000838464110 585058952 /nfs/dbraw/zinc/05/89/52/585058952.db2.gz WAKOHLBQDFVFKO-UHFFFAOYSA-N 0 3 222.288 1.318 20 30 BDEDHN C=CCONC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000838712682 585067104 /nfs/dbraw/zinc/06/71/04/585067104.db2.gz XEFNQNXOAOSCGD-ZJUUUORDSA-N 0 3 239.319 1.028 20 30 BDEDHN C=CCONC(=O)NC(C)(C)CN1CCCC1 ZINC000838714707 585067466 /nfs/dbraw/zinc/06/74/66/585067466.db2.gz LNYNAIYBNXHCBY-UHFFFAOYSA-N 0 3 241.335 1.278 20 30 BDEDHN C#CCCN1CCC(NC(=O)c2ccoc2)CC1 ZINC000740736355 585106083 /nfs/dbraw/zinc/10/60/83/585106083.db2.gz PZKVAXVFLAYKEL-UHFFFAOYSA-N 0 3 246.310 1.497 20 30 BDEDHN CC(C#N)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000740939100 585108260 /nfs/dbraw/zinc/10/82/60/585108260.db2.gz JRORZWZAZPAKMV-KWQFWETISA-N 0 3 238.312 1.231 20 30 BDEDHN CCCN(C)CC(=O)N(CCC#N)CC(C)C ZINC000741212447 585111133 /nfs/dbraw/zinc/11/11/33/585111133.db2.gz OWPSIEQTXPEHQI-UHFFFAOYSA-N 0 3 239.363 1.726 20 30 BDEDHN C#CCN1CCC[C@@H](NCc2conc2C)C1 ZINC000886211839 585113115 /nfs/dbraw/zinc/11/31/15/585113115.db2.gz ZAWCCMFQQDOVAG-CYBMUJFWSA-N 0 3 233.315 1.170 20 30 BDEDHN CCCNC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741453998 585114001 /nfs/dbraw/zinc/11/40/01/585114001.db2.gz DEMLQXLUJRBIDO-SECBINFHSA-N 0 3 242.392 1.331 20 30 BDEDHN CCO[C@H]1CC(N=NC(=N)N)C12CCCCC2 ZINC000741451993 585114114 /nfs/dbraw/zinc/11/41/14/585114114.db2.gz ZPXYRJWLFKCPFT-JTQLQIEISA-N 0 3 238.335 1.585 20 30 BDEDHN C=C(C)CNC(=S)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741501618 585115150 /nfs/dbraw/zinc/11/51/50/585115150.db2.gz DKWBEKFEXHFFIR-WDEREUQCSA-N 0 3 241.404 1.509 20 30 BDEDHN C#CC[C@@H]1CCN([C@H]2CCN(CC=C)C2=O)C1 ZINC000886364140 585134623 /nfs/dbraw/zinc/13/46/23/585134623.db2.gz PPONASZCXPJVKW-OLZOCXBDSA-N 0 3 232.327 1.119 20 30 BDEDHN N#CCCNC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000743849957 585140861 /nfs/dbraw/zinc/14/08/61/585140861.db2.gz DGHFLWKVKHOFGD-RYUDHWBXSA-N 0 3 235.331 1.281 20 30 BDEDHN C#CCCCNC(=O)[C@H](CC)N(CC)CC ZINC000744370122 585149746 /nfs/dbraw/zinc/14/97/46/585149746.db2.gz CEWRJWUKLPUFBL-LBPRGKRZSA-N 0 3 224.348 1.636 20 30 BDEDHN C#CCCN1CCC(NC(=O)/C=C/CCC)CC1 ZINC000747403997 585178659 /nfs/dbraw/zinc/17/86/59/585178659.db2.gz FCMXVMWDPLBKBF-BQYQJAHWSA-N 0 3 248.370 1.947 20 30 BDEDHN C[C@H]1CCc2c(F)cccc2C1=NNC(=N)N ZINC000748246134 585189749 /nfs/dbraw/zinc/18/97/49/585189749.db2.gz JQFBUPXNXJNTLP-ZETCQYMHSA-N 0 3 234.278 1.595 20 30 BDEDHN CC[C@@H](C)CN(CC)CC(=O)NCCC#N ZINC000748828561 585196871 /nfs/dbraw/zinc/19/68/71/585196871.db2.gz NIPJYQJBSKHWQA-LLVKDONJSA-N 0 3 225.336 1.384 20 30 BDEDHN C[C@H](CO)NN=Cc1ccc2c(c1)CCCN2C ZINC000749816688 585206556 /nfs/dbraw/zinc/20/65/56/585206556.db2.gz SOGVJTFTMZBVFL-LLVKDONJSA-N 0 3 247.342 1.373 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000753024326 585251967 /nfs/dbraw/zinc/25/19/67/585251967.db2.gz RWHABCDHQPRHMY-SNVBAGLBSA-N 0 3 246.301 1.608 20 30 BDEDHN C#C[C@@H](CC)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000753146970 585254388 /nfs/dbraw/zinc/25/43/88/585254388.db2.gz ALSFRSQPHPJLPZ-STQMWFEESA-N 0 3 249.358 1.182 20 30 BDEDHN Cc1noc(C)c1CCCNC(=O)C(C)C#N ZINC000753676118 585266119 /nfs/dbraw/zinc/26/61/19/585266119.db2.gz KRJIZAKHIHWJLJ-MRVPVSSYSA-N 0 3 235.287 1.500 20 30 BDEDHN C#CCOCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000753759897 585268037 /nfs/dbraw/zinc/26/80/37/585268037.db2.gz GXKSWUOBRZNXNR-LLVKDONJSA-N 0 3 247.294 1.716 20 30 BDEDHN Cc1ccc2c(c1)C(=NNC(=N)N)CCC2 ZINC000753924458 585272190 /nfs/dbraw/zinc/27/21/90/585272190.db2.gz SFZGFJGDGCWQTD-UHFFFAOYSA-N 0 3 216.288 1.518 20 30 BDEDHN Cc1ccc(N=NC2CN(C(C)C)C[C@H]2C)nn1 ZINC000754256626 585281341 /nfs/dbraw/zinc/28/13/41/585281341.db2.gz CDNAZZQHNMMRFZ-SNVBAGLBSA-N 0 3 247.346 1.913 20 30 BDEDHN CNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755614872 585302188 /nfs/dbraw/zinc/30/21/88/585302188.db2.gz TZJHMNBUYADFJK-ZJUUUORDSA-N 0 3 238.331 1.904 20 30 BDEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]1CCO ZINC000839580075 585330969 /nfs/dbraw/zinc/33/09/69/585330969.db2.gz MSYXUKLGMBGDHJ-NXEZZACHSA-N 0 3 203.713 1.880 20 30 BDEDHN C#C[C@H](NCCc1cncs1)[C@@H]1CCCO1 ZINC000839562970 585331250 /nfs/dbraw/zinc/33/12/50/585331250.db2.gz DQDXZFRDBGDUQQ-RYUDHWBXSA-N 0 3 236.340 1.456 20 30 BDEDHN C=C(Cl)CN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000839610361 585333074 /nfs/dbraw/zinc/33/30/74/585333074.db2.gz NDCCPTBJOMOSQH-NWDGAFQWSA-N 0 3 244.766 1.534 20 30 BDEDHN CC(=NNC1CCOCC1)c1ccc(N)cc1 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/nfs/dbraw/zinc/45/73/68/585457368.db2.gz ZMPDRSWZDNXHJC-UHFFFAOYSA-N 0 3 236.290 1.560 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000764098435 585459772 /nfs/dbraw/zinc/45/97/72/585459772.db2.gz MEAWNYICOAMTLD-UHFFFAOYSA-N 0 3 244.298 1.619 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1c(C)n[nH]c1C ZINC000764335073 585463542 /nfs/dbraw/zinc/46/35/42/585463542.db2.gz IGAQNAAQZIZPLT-UHFFFAOYSA-N 0 3 222.292 1.083 20 30 BDEDHN C=C(CN(C)C)C(=O)NCc1c(C)noc1C ZINC000764442591 585465783 /nfs/dbraw/zinc/46/57/83/585465783.db2.gz LDXYPZPBXAYMLA-UHFFFAOYSA-N 0 3 237.303 1.025 20 30 BDEDHN C=C(CN(C)C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000764580751 585468041 /nfs/dbraw/zinc/46/80/41/585468041.db2.gz CYZZFRZXZIQSOH-STQMWFEESA-N 0 3 236.359 1.895 20 30 BDEDHN CC#CC(=O)N(C)[C@H]1CCN(CC)C[C@@H]1C ZINC000764571230 585468174 /nfs/dbraw/zinc/46/81/74/585468174.db2.gz KLRKNMUDTWEGGH-RYUDHWBXSA-N 0 3 222.332 1.198 20 30 BDEDHN C[C@@H]1CCCN1CCNc1cc(C#N)ncn1 ZINC000764838937 585475527 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BDEDHN C#Cc1ccc(CNC[C@@](C)(CO)OC)cc1 ZINC000848559555 588397143 /nfs/dbraw/zinc/39/71/43/588397143.db2.gz FHSVCIMSFPRHRL-AWEZNQCLSA-N 0 3 233.311 1.155 20 30 BDEDHN N#CCCNC(=N)Nc1cc(F)ccc1F ZINC000849081287 588452414 /nfs/dbraw/zinc/45/24/14/588452414.db2.gz PZXUOFRAYIUZNG-UHFFFAOYSA-N 0 3 224.214 1.815 20 30 BDEDHN C#CCCCCNCc1cn(CCC=C)nn1 ZINC000850185139 588525143 /nfs/dbraw/zinc/52/51/43/588525143.db2.gz BZWDCFSFSBUJAV-UHFFFAOYSA-N 0 3 232.331 1.747 20 30 BDEDHN C=CC[C@H](CO)CNCc1cncc(OC)c1 ZINC000850236608 588530876 /nfs/dbraw/zinc/53/08/76/588530876.db2.gz MPPMKBLONZJHGH-NSHDSACASA-N 0 3 236.315 1.364 20 30 BDEDHN C#C[C@H](N[C@@H]1CO[C@H](CC)C1)[C@@H]1CCCO1 ZINC000850251411 588531730 /nfs/dbraw/zinc/53/17/30/588531730.db2.gz VQNYTSASLYLEIH-RNJOBUHISA-N 0 3 223.316 1.324 20 30 BDEDHN COc1cncc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000850332469 588537267 /nfs/dbraw/zinc/53/72/67/588537267.db2.gz IFFAFGXYXSPYOS-CMPLNLGQSA-N 0 3 231.299 1.872 20 30 BDEDHN C=CCCNCc1cnc([C@H](C)O)s1 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ZINC000590971775 347598396 /nfs/dbraw/zinc/59/83/96/347598396.db2.gz LFQYVWZEOBWICL-ZDUSSCGKSA-N 0 3 243.310 1.174 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000591126023 347622722 /nfs/dbraw/zinc/62/27/22/347622722.db2.gz GZCKRCXRNJQHEL-KOLCDFICSA-N 0 3 206.289 1.795 20 30 BDEDHN C[C@@]1(F)CNCCN(c2cccc(C#N)n2)C1 ZINC000591442133 347662094 /nfs/dbraw/zinc/66/20/94/347662094.db2.gz FPJLFPRLMKYFIM-GFCCVEGCSA-N 0 3 234.278 1.091 20 30 BDEDHN Cc1ccccc1CNCCn1cnc(C#N)n1 ZINC000353037352 179281114 /nfs/dbraw/zinc/28/11/14/179281114.db2.gz JAOZPMBXDMEVTR-UHFFFAOYSA-N 0 3 241.298 1.248 20 30 BDEDHN C=CCN1CCC(Nc2ccc(C)nn2)CC1 ZINC000591870869 347704878 /nfs/dbraw/zinc/70/48/78/347704878.db2.gz HNOITSKCAJKTAS-UHFFFAOYSA-N 0 3 232.331 1.269 20 30 BDEDHN CC(C)[C@@H](CCO)NCc1ccncc1C#N ZINC000592101144 347734042 /nfs/dbraw/zinc/73/40/42/347734042.db2.gz WCVDZGRROKRXQU-CYBMUJFWSA-N 0 3 233.315 1.450 20 30 BDEDHN N#CC[C@@]1(O)CCN(CCCc2ccncc2)C1 ZINC000592152198 347743093 /nfs/dbraw/zinc/74/30/93/347743093.db2.gz UUDCRKKSLJVVQR-CQSZACIVSA-N 0 3 245.326 1.365 20 30 BDEDHN CN(CCC(C)(C)C)C(=O)[C@H](N)CCCC#N ZINC000592567269 347798307 /nfs/dbraw/zinc/79/83/07/347798307.db2.gz JCGMRRPZXXOILV-LLVKDONJSA-N 0 3 239.363 1.902 20 30 BDEDHN CC(C#N)C(=O)N1CC(C)(CC(F)F)C1 ZINC000592835938 347820249 /nfs/dbraw/zinc/82/02/49/347820249.db2.gz PJQPANHPHQORHM-ZETCQYMHSA-N 0 3 216.231 1.650 20 30 BDEDHN N#CCCCN1CCC(C2(O)CC2)CC1 ZINC000593049304 347846802 /nfs/dbraw/zinc/84/68/02/347846802.db2.gz LBUFQHQUHAKVBN-UHFFFAOYSA-N 0 3 208.305 1.527 20 30 BDEDHN COC(=O)CC1(NCc2ccc(C#N)cc2)CC1 ZINC000593057561 347848042 /nfs/dbraw/zinc/84/80/42/347848042.db2.gz QPDMIJOHIZRTAY-UHFFFAOYSA-N 0 3 244.294 1.744 20 30 BDEDHN COC[C@H]1C[C@@H](O)CN1Cc1cccc(C#N)c1 ZINC000593066328 347849907 /nfs/dbraw/zinc/84/99/07/347849907.db2.gz LMZBNXJREIJKLB-ZIAGYGMSSA-N 0 3 246.310 1.140 20 30 BDEDHN CN(CCN1CCCCC1)c1cccnc1C#N ZINC000593516220 347903366 /nfs/dbraw/zinc/90/33/66/347903366.db2.gz NVODHAZWPITJAZ-UHFFFAOYSA-N 0 3 244.342 1.875 20 30 BDEDHN CC[C@H](C#N)C(=O)NCCN1CCCC[C@H]1C ZINC000593408820 347884734 /nfs/dbraw/zinc/88/47/34/347884734.db2.gz WIRBDKGUKYUJDX-VXGBXAGGSA-N 0 3 237.347 1.527 20 30 BDEDHN CCC[C@@](C)(NC(=O)C(C#N)CC)C(=O)OC ZINC000593417570 347894210 /nfs/dbraw/zinc/89/42/10/347894210.db2.gz WJKFAHTWTAZEHT-BXKDBHETSA-N 0 3 240.303 1.384 20 30 BDEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000593454298 347898534 /nfs/dbraw/zinc/89/85/34/347898534.db2.gz HYCJATRLWBQJJQ-VXGBXAGGSA-N 0 3 235.331 1.137 20 30 BDEDHN C[C@H](CCO)N(C)Cc1ccc(C#N)s1 ZINC000593694937 347929303 /nfs/dbraw/zinc/92/93/03/347929303.db2.gz USMMSTXLYNSYPM-SECBINFHSA-N 0 3 224.329 1.822 20 30 BDEDHN CCC(C#N)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000593744313 347935044 /nfs/dbraw/zinc/93/50/44/347935044.db2.gz CUMNAPHFSZVGDL-JTQLQIEISA-N 0 3 234.303 1.683 20 30 BDEDHN CC[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000593729689 347938118 /nfs/dbraw/zinc/93/81/18/347938118.db2.gz IIPKFSQUNJPDJX-OCCSQVGLSA-N 0 3 249.358 1.480 20 30 BDEDHN CCC(C#N)C(=O)N1CCC[C@@H]1CC(=O)OC ZINC000593542125 347909320 /nfs/dbraw/zinc/90/93/20/347909320.db2.gz HIHNFZFYTZFYNR-VHSXEESVSA-N 0 3 238.287 1.090 20 30 BDEDHN C[C@H]1C[C@@H](NC(=O)CCCCC#N)CN1C1CC1 ZINC000594309771 348029256 /nfs/dbraw/zinc/02/92/56/348029256.db2.gz IHFAGGBKRXATPZ-NWDGAFQWSA-N 0 3 249.358 1.812 20 30 BDEDHN N#CCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594194954 348020473 /nfs/dbraw/zinc/02/04/73/348020473.db2.gz BKPNPXSVULGUGB-STQMWFEESA-N 0 3 249.358 1.813 20 30 BDEDHN N#CCCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000594275986 348024834 /nfs/dbraw/zinc/02/48/34/348024834.db2.gz NMFYQNGRPFDOOQ-ZDUSSCGKSA-N 0 3 249.358 1.767 20 30 BDEDHN C[C@@H]1C[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594428123 348044631 /nfs/dbraw/zinc/04/46/31/348044631.db2.gz LLCCWDCAVMPKQR-OUAUKWLOSA-N 0 3 223.320 1.170 20 30 BDEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)n(C)n1 ZINC000594428246 348044649 /nfs/dbraw/zinc/04/46/49/348044649.db2.gz XIVLXWGJFAUQSH-SNVBAGLBSA-N 0 3 249.318 1.078 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)NC1CCC1 ZINC000594428631 348044663 /nfs/dbraw/zinc/04/46/63/348044663.db2.gz NJBHAABIRRAZDU-JTQLQIEISA-N 0 3 209.293 1.066 20 30 BDEDHN CCCN(CC)C(=O)[C@H](N)CCCCC#N ZINC000594428325 348044733 /nfs/dbraw/zinc/04/47/33/348044733.db2.gz MOJGVOMTAZTKJN-LLVKDONJSA-N 0 3 225.336 1.656 20 30 BDEDHN CC1(C)C[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594433839 348045503 /nfs/dbraw/zinc/04/55/03/348045503.db2.gz HXPVRVNCGBHQRG-MNOVXSKESA-N 0 3 237.347 1.560 20 30 BDEDHN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433397 348045633 /nfs/dbraw/zinc/04/56/33/348045633.db2.gz OZNNELCWIMOFEA-UTUOFQBUSA-N 0 3 237.347 1.655 20 30 BDEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594417126 348049855 /nfs/dbraw/zinc/04/98/55/348049855.db2.gz AHKRWGKEKPXTJU-UTUOFQBUSA-N 0 3 235.331 1.279 20 30 BDEDHN CC(C)CNC(=O)[C@H](N)CCCCC#N ZINC000594424543 348051048 /nfs/dbraw/zinc/05/10/48/348051048.db2.gz FPGYRCNGEBLVLK-SNVBAGLBSA-N 0 3 211.309 1.170 20 30 BDEDHN C[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425511 348051067 /nfs/dbraw/zinc/05/10/67/348051067.db2.gz KRMNGGCVSHIUBV-NEPJUHHUSA-N 0 3 237.347 1.799 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)N1CCCCCC1 ZINC000594425083 348051183 /nfs/dbraw/zinc/05/11/83/348051183.db2.gz JREKTRHKNYZJKJ-LBPRGKRZSA-N 0 3 237.347 1.800 20 30 BDEDHN CC(C)[C@H]1CN(C(=O)CCCCC#N)CCN1 ZINC000594443066 348054861 /nfs/dbraw/zinc/05/48/61/348054861.db2.gz ZQCCXOPRNLPSQN-GFCCVEGCSA-N 0 3 237.347 1.527 20 30 BDEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)nc1 ZINC000594445547 348055496 /nfs/dbraw/zinc/05/54/96/348055496.db2.gz HIWYRZOYVOVXOJ-NSHDSACASA-N 0 3 246.314 1.740 20 30 BDEDHN N#CCCCC[C@H](N)C(=O)NCc1cccnc1 ZINC000594446035 348055533 /nfs/dbraw/zinc/05/55/33/348055533.db2.gz OYHGSMUNFDKZQN-LBPRGKRZSA-N 0 3 246.314 1.109 20 30 BDEDHN CC[C@H](N)c1cn(CC2(CC#N)CC2)nn1 ZINC000594652791 348090614 /nfs/dbraw/zinc/09/06/14/348090614.db2.gz LQOLOAOGFUDNAT-VIFPVBQESA-N 0 3 219.292 1.382 20 30 BDEDHN CCC[C@H](N)c1cn(CC2(CC#N)CC2)nn1 ZINC000594653588 348091971 /nfs/dbraw/zinc/09/19/71/348091971.db2.gz RHDPPQMDBXDOAX-JTQLQIEISA-N 0 3 233.319 1.772 20 30 BDEDHN CCCn1nccc1CNCCCC#N ZINC000594942419 348143891 /nfs/dbraw/zinc/14/38/91/348143891.db2.gz ICUCWQRTFXBVTH-UHFFFAOYSA-N 0 3 206.293 1.686 20 30 BDEDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000594997005 348168278 /nfs/dbraw/zinc/16/82/78/348168278.db2.gz WZQUHSTZGFLLMG-OLZOCXBDSA-N 0 3 234.274 1.964 20 30 BDEDHN N#Cc1ccc(CCN2CC[C@H](O)C2)cc1 ZINC000595300840 348218585 /nfs/dbraw/zinc/21/85/85/348218585.db2.gz ADOXGQGBQGGELZ-ZDUSSCGKSA-N 0 3 216.284 1.167 20 30 BDEDHN C=CCCSCCNC(=O)[C@H](C)NC ZINC000595255683 348203711 /nfs/dbraw/zinc/20/37/11/348203711.db2.gz IRSCTOHCDDFOIK-VIFPVBQESA-N 0 3 216.350 1.020 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NCC1=CCCC1 ZINC000595260095 348206459 /nfs/dbraw/zinc/20/64/59/348206459.db2.gz URXMWJCBARPVSG-NSHDSACASA-N 0 3 221.304 1.234 20 30 BDEDHN CCN1CC[C@H](N2CCC(CC#N)CC2)C1=O ZINC000595428093 348247514 /nfs/dbraw/zinc/24/75/14/348247514.db2.gz ZYSYEZLCTFHUTN-LBPRGKRZSA-N 0 3 235.331 1.233 20 30 BDEDHN CC(C)CCN(CCC#N)C[C@@H]1CNC(=O)C1 ZINC000595343783 348234290 /nfs/dbraw/zinc/23/42/90/348234290.db2.gz DWHYEJAAFDOSNX-LBPRGKRZSA-N 0 3 237.347 1.384 20 30 BDEDHN C=CCC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595616729 348288923 /nfs/dbraw/zinc/28/89/23/348288923.db2.gz WEJRMMAMSRDDHG-OLZOCXBDSA-N 0 3 222.332 1.939 20 30 BDEDHN N#Cc1ccc(CN[C@H](CO)C2CCC2)nc1 ZINC000595615903 348289224 /nfs/dbraw/zinc/28/92/24/348289224.db2.gz JTZJYIGSTMVTPK-CYBMUJFWSA-N 0 3 231.299 1.204 20 30 BDEDHN COC[C@H](CN1CCC[C@@H](CC#N)C1)OC ZINC000595623551 348292004 /nfs/dbraw/zinc/29/20/04/348292004.db2.gz SZPSELPHVKXQOY-RYUDHWBXSA-N 0 3 226.320 1.273 20 30 BDEDHN CN(CCCSCC#N)Cc1cnc[nH]1 ZINC000595598136 348294966 /nfs/dbraw/zinc/29/49/66/348294966.db2.gz XBVRUGGYCZXTLC-UHFFFAOYSA-N 0 3 224.333 1.488 20 30 BDEDHN CO[C@]1(CO)CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000595659367 348298634 /nfs/dbraw/zinc/29/86/34/348298634.db2.gz NQQBJKFLNBAYLY-YNEHKIRRSA-N 0 3 238.331 1.152 20 30 BDEDHN C=CCN(C[C@@H](O)CSC)[C@@H](C)COC ZINC000595639326 348303347 /nfs/dbraw/zinc/30/33/47/348303347.db2.gz SWGGOCNQUXDEBG-WDEREUQCSA-N 0 3 233.377 1.233 20 30 BDEDHN C=CCN(CCOCCC#N)[C@@H](C)COC ZINC000595640030 348303462 /nfs/dbraw/zinc/30/34/62/348303462.db2.gz ZJLLYWRNGPCGSI-LBPRGKRZSA-N 0 3 226.320 1.440 20 30 BDEDHN C[C@H](C#N)N(CCN1CCCCC1)C1CC1 ZINC000595710468 348322780 /nfs/dbraw/zinc/32/27/80/348322780.db2.gz RTPNCDKLAZKJIQ-GFCCVEGCSA-N 0 3 221.348 1.849 20 30 BDEDHN C[C@H](CCC#N)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595729975 348328800 /nfs/dbraw/zinc/32/88/00/348328800.db2.gz YFAXXHJNLIPNHB-GRYCIOLGSA-N 0 3 235.331 1.279 20 30 BDEDHN N#Cc1cc(CN[C@H]2C[C@H](O)C23CCC3)ccn1 ZINC000595780445 348332108 /nfs/dbraw/zinc/33/21/08/348332108.db2.gz HEGIIJFFPDWTHG-STQMWFEESA-N 0 3 243.310 1.346 20 30 BDEDHN N#Cc1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595765392 348334309 /nfs/dbraw/zinc/33/43/09/348334309.db2.gz KNGDTSZHRJSNKT-UONOGXRCSA-N 0 3 228.295 1.515 20 30 BDEDHN CC1(C)CC(NC(=O)[C@@H](N)CCCC#N)C1 ZINC000595989632 348421006 /nfs/dbraw/zinc/42/10/06/348421006.db2.gz LONFWDXWGSMKOZ-JTQLQIEISA-N 0 3 223.320 1.312 20 30 BDEDHN C[C@]1(C#N)CCN(C(=O)C2(N)CCCC2)C1 ZINC000595980886 348415796 /nfs/dbraw/zinc/41/57/96/348415796.db2.gz KJYBZXZDDOBBSZ-LLVKDONJSA-N 0 3 221.304 1.020 20 30 BDEDHN N#CC1(CC(=O)N2CCCNCC2)CCCCC1 ZINC000595918454 348400291 /nfs/dbraw/zinc/40/02/91/348400291.db2.gz CVJXGKVIGXRBTH-UHFFFAOYSA-N 0 3 249.358 1.672 20 30 BDEDHN CN(C[C@H]1CC1(C)C)C(=O)[C@H](N)CCCC#N ZINC000595995078 348422068 /nfs/dbraw/zinc/42/20/68/348422068.db2.gz MNTOZYBRIAQMSX-GHMZBOCLSA-N 0 3 237.347 1.512 20 30 BDEDHN C=CCN1CCC(Nc2c(C#N)cnn2C)CC1 ZINC000596115585 348442313 /nfs/dbraw/zinc/44/23/13/348442313.db2.gz CKZDFSJKASPVHL-UHFFFAOYSA-N 0 3 245.330 1.354 20 30 BDEDHN C[C@H]1C[C@@H](Nc2c(C#N)cnn2C)CN1C1CC1 ZINC000596156819 348453997 /nfs/dbraw/zinc/45/39/97/348453997.db2.gz UDRRSRUVZOIWJI-GXSJLCMTSA-N 0 3 245.330 1.329 20 30 BDEDHN CC(C)(C)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC000596337135 348498155 /nfs/dbraw/zinc/49/81/55/348498155.db2.gz UTQAREPKHYFRGV-JTQLQIEISA-N 0 3 245.330 1.633 20 30 BDEDHN N#CCC1(CN[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000597117600 348663129 /nfs/dbraw/zinc/66/31/29/348663129.db2.gz PBECAIAZYGDIJI-NEPJUHHUSA-N 0 3 220.316 1.837 20 30 BDEDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)CC#N ZINC000596926965 348634606 /nfs/dbraw/zinc/63/46/06/348634606.db2.gz WKHZPYZTTRDFDF-RYUDHWBXSA-N 0 3 239.363 1.629 20 30 BDEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000597375699 348725754 /nfs/dbraw/zinc/72/57/54/348725754.db2.gz HVYAIRXITUHMTM-JFGNBEQYSA-N 0 3 235.331 1.135 20 30 BDEDHN C=CCNC(=O)NC(=O)CN(C)[C@H](C)CCC ZINC000048071149 348703370 /nfs/dbraw/zinc/70/33/70/348703370.db2.gz BAUILQPGKPYQQS-SNVBAGLBSA-N 0 3 241.335 1.119 20 30 BDEDHN CC[C@H]1CN(C)CCCN1C(=O)CCCC#N ZINC000597604486 348768353 /nfs/dbraw/zinc/76/83/53/348768353.db2.gz IVDBSEFUPVPGJQ-LBPRGKRZSA-N 0 3 237.347 1.623 20 30 BDEDHN CC(C#N)C(=O)N1NC(=O)CC12CCCCC2 ZINC000597649907 348775194 /nfs/dbraw/zinc/77/51/94/348775194.db2.gz SCLSZMIQRMTSHU-VIFPVBQESA-N 0 3 235.287 1.112 20 30 BDEDHN Cc1nc(C(C)C)oc1CNC(=O)C(C)C#N ZINC000597683167 348778682 /nfs/dbraw/zinc/77/86/82/348778682.db2.gz AGIUBHKCOUBFBH-QMMMGPOBSA-N 0 3 235.287 1.882 20 30 BDEDHN C=CC[C@H](CO)NCc1cccc(OC)c1 ZINC000184281309 348795490 /nfs/dbraw/zinc/79/54/90/348795490.db2.gz LNIAPKVJADCRCX-GFCCVEGCSA-N 0 3 221.300 1.722 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc(C(=O)NC)cc1 ZINC000184266310 348753777 /nfs/dbraw/zinc/75/37/77/348753777.db2.gz AVJNFDZALNVZDI-CYBMUJFWSA-N 0 3 248.326 1.073 20 30 BDEDHN C=CC[C@H](CO)NCc1ccc(OC)c(F)c1 ZINC000184269794 348756916 /nfs/dbraw/zinc/75/69/16/348756916.db2.gz QDASXYUIPZUTLN-LLVKDONJSA-N 0 3 239.290 1.861 20 30 BDEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710731 192375761 /nfs/dbraw/zinc/37/57/61/192375761.db2.gz MBXPGFWBPLIPMW-MDZLAQPJSA-N 0 3 235.331 1.089 20 30 BDEDHN CCCN(C(=O)[C@@H](C)CC#N)[C@H]1CCN(C)C1 ZINC000597798899 348821770 /nfs/dbraw/zinc/82/17/70/348821770.db2.gz RFJJRUCJPMKDDL-RYUDHWBXSA-N 0 3 237.347 1.479 20 30 BDEDHN CCN(C(=O)[C@H](C)CC#N)[C@@H]1CCN(C)C1 ZINC000597945710 348847065 /nfs/dbraw/zinc/84/70/65/348847065.db2.gz JRLYCYYNOKWVAL-GHMZBOCLSA-N 0 3 223.320 1.089 20 30 BDEDHN CCN(C(=O)CCCCC#N)[C@@H]1CCN(C)C1 ZINC000597945247 348847107 /nfs/dbraw/zinc/84/71/07/348847107.db2.gz FQDXSAKJGJWSLB-GFCCVEGCSA-N 0 3 237.347 1.623 20 30 BDEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859024 348829421 /nfs/dbraw/zinc/82/94/21/348829421.db2.gz QASYLFPAFSWIHZ-ZJUUUORDSA-N 0 3 223.320 1.135 20 30 BDEDHN C[C@H](CC#N)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597860010 348829611 /nfs/dbraw/zinc/82/96/11/348829611.db2.gz JOSRWWYCPXTVTD-MNOVXSKESA-N 0 3 237.347 1.525 20 30 BDEDHN COCC1(NC(=O)C(C)C#N)CCCC1 ZINC000597882787 348832568 /nfs/dbraw/zinc/83/25/68/348832568.db2.gz IZBDILSFVKIJGG-VIFPVBQESA-N 0 3 210.277 1.221 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597911727 348842703 /nfs/dbraw/zinc/84/27/03/348842703.db2.gz BKKLGURKWAOURY-VHSXEESVSA-N 0 3 205.261 1.298 20 30 BDEDHN C=CCCSCCNC(=O)CN(C)CCC ZINC000597970967 348856351 /nfs/dbraw/zinc/85/63/51/348856351.db2.gz AWVBXCIZKZBARH-UHFFFAOYSA-N 0 3 244.404 1.754 20 30 BDEDHN COc1cccc(OC)c1CNC(=O)C(C)C#N ZINC000597976251 348859110 /nfs/dbraw/zinc/85/91/10/348859110.db2.gz RSAVILULDRRLGN-SECBINFHSA-N 0 3 248.282 1.480 20 30 BDEDHN CC(C#N)C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598056095 348875386 /nfs/dbraw/zinc/87/53/86/348875386.db2.gz WBXDYBFBPZZGRT-UWVGGRQHSA-N 0 3 222.288 1.316 20 30 BDEDHN CC(C#N)C(=O)NCc1c(C2CC2)cnn1C ZINC000598210573 348911464 /nfs/dbraw/zinc/91/14/64/348911464.db2.gz ILFGOLJLORBENC-MRVPVSSYSA-N 0 3 232.287 1.073 20 30 BDEDHN CC(C#N)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000598222120 348914210 /nfs/dbraw/zinc/91/42/10/348914210.db2.gz 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387540114 /nfs/dbraw/zinc/54/01/14/387540114.db2.gz BZPNNGIAWPVEHH-UHFFFAOYSA-N 0 3 235.327 1.488 20 30 BDEDHN Cc1cnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424076138 387478161 /nfs/dbraw/zinc/47/81/61/387478161.db2.gz LFNKBKCIUYGZFB-MRVPVSSYSA-N 0 3 238.316 1.411 20 30 BDEDHN CCC(CC)CNC(=O)[C@H](N)CCCC#N ZINC000424076972 387478847 /nfs/dbraw/zinc/47/88/47/387478847.db2.gz ALMMZORKZJTFFK-LLVKDONJSA-N 0 3 225.336 1.560 20 30 BDEDHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424077768 387480838 /nfs/dbraw/zinc/48/08/38/387480838.db2.gz OTMGGVGWKXHHGA-UTUOFQBUSA-N 0 3 237.347 1.702 20 30 BDEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424079308 387481305 /nfs/dbraw/zinc/48/13/05/387481305.db2.gz RDMQHKZEAQHNFY-LBPRGKRZSA-N 0 3 231.299 1.671 20 30 BDEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(F)cc1 ZINC000424083259 387482932 /nfs/dbraw/zinc/48/29/32/387482932.db2.gz WYXNHXFFFRMELV-LBPRGKRZSA-N 0 3 249.289 1.463 20 30 BDEDHN COC1(CNCc2cc(C#N)n(C)c2)CCC1 ZINC000191575319 387492428 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/nfs/dbraw/zinc/63/97/52/387639752.db2.gz HRXYXDMRMQEISB-LLVKDONJSA-N 0 3 237.347 1.704 20 30 BDEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)cn1 ZINC000424136309 387659670 /nfs/dbraw/zinc/65/96/70/387659670.db2.gz NTDJZUCNHCABJY-VIFPVBQESA-N 0 3 236.250 1.180 20 30 BDEDHN C=C(C)COCCN[C@@H](C)c1cn(C)nc1C ZINC000163511241 387689277 /nfs/dbraw/zinc/68/92/77/387689277.db2.gz WBYGVQWFRBBHKX-NSHDSACASA-N 0 3 237.347 1.972 20 30 BDEDHN N#CC1(CN2CC[C@H](CCCO)C2)CCC1 ZINC000452124059 387748068 /nfs/dbraw/zinc/74/80/68/387748068.db2.gz QOGLDKXLOMKJKU-LBPRGKRZSA-N 0 3 222.332 1.775 20 30 BDEDHN CCN(C)CCNc1nnc(C)c(C)c1C#N ZINC000049937518 387710306 /nfs/dbraw/zinc/71/03/06/387710306.db2.gz IFKOICINWIKMPX-UHFFFAOYSA-N 0 3 233.319 1.329 20 30 BDEDHN C=CCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431637179 387722895 /nfs/dbraw/zinc/72/28/95/387722895.db2.gz RQKPSBRCJHSREM-ZDUSSCGKSA-N 0 3 232.327 1.982 20 30 BDEDHN C[C@@H](CC1CC1)NC(=O)[C@H](N)CCCC#N ZINC000424145164 387762129 /nfs/dbraw/zinc/76/21/29/387762129.db2.gz 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216.350 1.148 20 30 BDEDHN CC(C)C[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424181974 387898230 /nfs/dbraw/zinc/89/82/30/387898230.db2.gz SJYKJTVGNKPJPY-MNOVXSKESA-N 0 3 225.336 1.558 20 30 BDEDHN C=CCCCC(=O)NCCN(C)CCOC ZINC000175526021 387909611 /nfs/dbraw/zinc/90/96/11/387909611.db2.gz SFKIBCFDVLUEDG-UHFFFAOYSA-N 0 3 228.336 1.037 20 30 BDEDHN C[C@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCCCN1 ZINC000424218643 387935126 /nfs/dbraw/zinc/93/51/26/387935126.db2.gz VQAJOVOPOCPJIO-DMDPSCGWSA-N 0 3 235.331 1.327 20 30 BDEDHN C=C(CC)CN1CC[C@@H](OCCOC)C1 ZINC000444746975 387920232 /nfs/dbraw/zinc/92/02/32/387920232.db2.gz HEADKYNZTQZRAW-GFCCVEGCSA-N 0 3 213.321 1.690 20 30 BDEDHN C=CC(C)(C)CNC(=O)C12CCCN1CCC2 ZINC000452786840 387920804 /nfs/dbraw/zinc/92/08/04/387920804.db2.gz YYNSTYDUKWJIRX-UHFFFAOYSA-N 0 3 236.359 1.943 20 30 BDEDHN CC[C@@H](C)CNC(=O)[C@H](N)CCCC#N ZINC000424198705 387927012 /nfs/dbraw/zinc/92/70/12/387927012.db2.gz JKUIYOXDWSOKRU-NXEZZACHSA-N 0 3 211.309 1.170 20 30 BDEDHN C=CCn1cc(CN[C@@H](CC)C(C)C)nn1 ZINC000424301311 387962128 /nfs/dbraw/zinc/96/21/28/387962128.db2.gz ZRXVMBMRIAJMLO-LBPRGKRZSA-N 0 3 222.336 1.988 20 30 BDEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cn[nH]c1 ZINC000424319592 387969203 /nfs/dbraw/zinc/96/92/03/387969203.db2.gz FFDPTCVRRQHJIH-WCABBAIRSA-N 0 3 204.277 1.753 20 30 BDEDHN Cc1cc(CN)cc(NC(=O)N(C)CCC#N)c1 ZINC000424441267 388010504 /nfs/dbraw/zinc/01/05/04/388010504.db2.gz WOIOKHGZEMVUQB-UHFFFAOYSA-N 0 3 246.314 1.831 20 30 BDEDHN C=CC[C@@H](CO)NCc1cnn(C=C)c1 ZINC000194416576 388017149 /nfs/dbraw/zinc/01/71/49/388017149.db2.gz WJWCWRNLMBNORK-NSHDSACASA-N 0 3 207.277 1.010 20 30 BDEDHN CCc1noc(CC)c1CNC(=O)C(C)C#N ZINC000446534011 388026218 /nfs/dbraw/zinc/02/62/18/388026218.db2.gz XNVLIRTTWGBKLZ-MRVPVSSYSA-N 0 3 235.287 1.575 20 30 BDEDHN Cc1cnccc1CNC(=O)C(C)C#N ZINC000160679710 388083311 /nfs/dbraw/zinc/08/33/11/388083311.db2.gz GDEYQSRGCUHVDC-QMMMGPOBSA-N 0 3 203.245 1.166 20 30 BDEDHN C=CCCCNC(=O)NCCN(C)C1CC1 ZINC000447953715 388104481 /nfs/dbraw/zinc/10/44/81/388104481.db2.gz LSIMTRWOMJURJH-UHFFFAOYSA-N 0 3 225.336 1.346 20 30 BDEDHN C=C(C)COCCNCc1cn(C)nc1C ZINC000160167115 388050329 /nfs/dbraw/zinc/05/03/29/388050329.db2.gz WYMPMTMITTYTHW-UHFFFAOYSA-N 0 3 223.320 1.411 20 30 BDEDHN C=C(C)CCNC(=O)NC[C@H](C)N(C)C ZINC000455331291 388156195 /nfs/dbraw/zinc/15/61/95/388156195.db2.gz WNKSQRYPRHWJRC-JTQLQIEISA-N 0 3 213.325 1.202 20 30 BDEDHN C=CCn1cccc1C(=O)NC1CCN(C)CC1 ZINC000488568286 388187828 /nfs/dbraw/zinc/18/78/28/388187828.db2.gz XIWQQKJQNSTESE-UHFFFAOYSA-N 0 3 247.342 1.498 20 30 BDEDHN C=CCN(C)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000488535308 388184793 /nfs/dbraw/zinc/18/47/93/388184793.db2.gz LJIUARQCQNCONO-QWRGUYRKSA-N 0 3 225.336 1.297 20 30 BDEDHN C=CC(C)(C)C(=O)N(C)CC1CCN(C)CC1 ZINC000448912750 388119832 /nfs/dbraw/zinc/11/98/32/388119832.db2.gz OOOULOAZGMRBKI-UHFFFAOYSA-N 0 3 238.375 1.999 20 30 BDEDHN C=C(C)CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000488548613 388185900 /nfs/dbraw/zinc/18/59/00/388185900.db2.gz UTHDEXQBYQFJLA-ZYHUDNBSSA-N 0 3 237.347 1.344 20 30 BDEDHN C=C(C)CCNC(=O)NC1CCN(CC)CC1 ZINC000454616850 388125860 /nfs/dbraw/zinc/12/58/60/388125860.db2.gz KOCDUOBQDIKZOX-UHFFFAOYSA-N 0 3 239.363 1.736 20 30 BDEDHN C=C(C)CCNC(=O)NCCN(C)CCCC ZINC000454635339 388126641 /nfs/dbraw/zinc/12/66/41/388126641.db2.gz WZGBDXMVPBEINW-UHFFFAOYSA-N 0 3 241.379 1.984 20 30 BDEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454816731 388134692 /nfs/dbraw/zinc/13/46/92/388134692.db2.gz TYPONMLDJIKYEY-RYUDHWBXSA-N 0 3 241.379 1.981 20 30 BDEDHN C#CCN(CC)C[C@@H](O)CC(F)(F)F ZINC000490741100 388251655 /nfs/dbraw/zinc/25/16/55/388251655.db2.gz STNJDYBOWHRKOR-QMMMGPOBSA-N 0 3 209.211 1.255 20 30 BDEDHN C#CCN(CC)C[C@H](O)CCOC(C)C ZINC000490739863 388251675 /nfs/dbraw/zinc/25/16/75/388251675.db2.gz HJUUSZGHATXJIV-GFCCVEGCSA-N 0 3 213.321 1.118 20 30 BDEDHN C#CCN(CCn1cncn1)C1CCCC1 ZINC000490820318 388255395 /nfs/dbraw/zinc/25/53/95/388255395.db2.gz NGTUITUHPHPHEC-UHFFFAOYSA-N 0 3 218.304 1.156 20 30 BDEDHN C=C(C)CN(CCOC)[C@@H]1CCO[C@@H]1C ZINC000489472046 388217851 /nfs/dbraw/zinc/21/78/51/388217851.db2.gz BRHLPFUNBHGPKB-VXGBXAGGSA-N 0 3 213.321 1.688 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cnccc1C ZINC000449520207 388222520 /nfs/dbraw/zinc/22/25/20/388222520.db2.gz OTJLIIDTKIVEFO-OLZOCXBDSA-N 0 3 218.300 1.823 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(F)c1 ZINC000449521170 388223469 /nfs/dbraw/zinc/22/34/69/388223469.db2.gz RAAVHBMGZRHNFO-NEPJUHHUSA-N 0 3 222.263 1.654 20 30 BDEDHN C=C(CC)CNC(=O)CC1CCN(C)CC1 ZINC000456810462 388223740 /nfs/dbraw/zinc/22/37/40/388223740.db2.gz FZCIDYQRZHTBSB-UHFFFAOYSA-N 0 3 224.348 1.801 20 30 BDEDHN CCC[C@](C)(CO)NCc1ccc(C#N)o1 ZINC000083469770 256561555 /nfs/dbraw/zinc/56/15/55/256561555.db2.gz MFAYIAYDCVQNIN-GFCCVEGCSA-N 0 3 222.288 1.792 20 30 BDEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COCCOC ZINC000450871798 388260220 /nfs/dbraw/zinc/26/02/20/388260220.db2.gz BJPBOYKUCDYBSX-CHWSQXEVSA-N 0 3 243.347 1.051 20 30 BDEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H]2C)CC1 ZINC000490575239 388240578 /nfs/dbraw/zinc/24/05/78/388240578.db2.gz PNFTUKAEOWZDKC-YPMHNXCESA-N 0 3 234.343 1.104 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CC)CC ZINC000451604129 388283436 /nfs/dbraw/zinc/28/34/36/388283436.db2.gz GCJYTHVDCMYTJS-UTUOFQBUSA-N 0 3 240.347 1.176 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(OC)c1 ZINC000451613733 388284200 /nfs/dbraw/zinc/28/42/00/388284200.db2.gz NWFBFQPTWDZIKX-OLZOCXBDSA-N 0 3 234.299 1.523 20 30 BDEDHN C#C[C@H](CC)NC(=O)NC1CCN(CC)CC1 ZINC000491351097 388287512 /nfs/dbraw/zinc/28/75/12/388287512.db2.gz RLBWSRJTRIKVPV-LLVKDONJSA-N 0 3 237.347 1.182 20 30 BDEDHN C#CC(C)(C)N(C)CCn1cc(Cl)cn1 ZINC000491373477 388289681 /nfs/dbraw/zinc/28/96/81/388289681.db2.gz NBTWBLAIYXTJCF-UHFFFAOYSA-N 0 3 225.723 1.880 20 30 BDEDHN C#CCN(C[C@@H]1COCCO1)C1CCCCC1 ZINC000491396726 388292091 /nfs/dbraw/zinc/29/20/91/388292091.db2.gz ZLPKGGJIYDHAGM-CQSZACIVSA-N 0 3 237.343 1.670 20 30 BDEDHN C#C[C@@H](CCC)NC(=O)N[C@@H](C)CN(C)C ZINC000491474773 388297362 /nfs/dbraw/zinc/29/73/62/388297362.db2.gz PWDPRKDVNLPOMT-QWRGUYRKSA-N 0 3 225.336 1.038 20 30 BDEDHN C#CCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000491616464 388304934 /nfs/dbraw/zinc/30/49/34/388304934.db2.gz ARGPKGLYZIOLOE-GXTWGEPZSA-N 0 3 245.322 1.630 20 30 BDEDHN C#CCN(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000491625618 388305739 /nfs/dbraw/zinc/30/57/39/388305739.db2.gz ISZZUCHGFWBJPU-NWDGAFQWSA-N 0 3 249.358 1.276 20 30 BDEDHN C#CCN(CC)C(=O)NC[C@@H](N)c1ccccc1 ZINC000491634441 388307097 /nfs/dbraw/zinc/30/70/97/388307097.db2.gz RGGKFIOHXLBSIU-CYBMUJFWSA-N 0 3 245.326 1.351 20 30 BDEDHN C#CCNC(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000491681954 388310629 /nfs/dbraw/zinc/31/06/29/388310629.db2.gz PECBSKZGRGJJOD-CMPLNLGQSA-N 0 3 220.316 1.022 20 30 BDEDHN C#CCN(Cc1ccccc1)C[C@H]1C[C@@H](O)C1 ZINC000491700779 388312746 /nfs/dbraw/zinc/31/27/46/388312746.db2.gz PCMFPRNHRWFIGR-GASCZTMLSA-N 0 3 229.323 1.893 20 30 BDEDHN C#CCNN=C(C)c1ccccc1N(C)C ZINC000491706026 388313435 /nfs/dbraw/zinc/31/34/35/388313435.db2.gz WHVNDTHOUPVDGE-UHFFFAOYSA-N 0 3 215.300 1.699 20 30 BDEDHN C#CCN(CC#C)C[C@@H]1CCO[C@@H](C)C1 ZINC000491719332 388314503 /nfs/dbraw/zinc/31/45/03/388314503.db2.gz ZBLYLXPDNIYIMQ-QWHCGFSZSA-N 0 3 205.301 1.370 20 30 BDEDHN C#CCN(C)CCCNC(=O)C1CC(C)(C)C1 ZINC000491748493 388317369 /nfs/dbraw/zinc/31/73/69/388317369.db2.gz RRYKBISYKGGXDN-UHFFFAOYSA-N 0 3 236.359 1.494 20 30 BDEDHN C#CCN(C)CCCNC(=O)C1=CCCC1 ZINC000491749303 388317619 /nfs/dbraw/zinc/31/76/19/388317619.db2.gz QBDIVXGAWDTHPC-UHFFFAOYSA-N 0 3 220.316 1.168 20 30 BDEDHN C#C[C@@H](C)N(C)C[C@H](O)CC1CCCC1 ZINC000491761164 388318661 /nfs/dbraw/zinc/31/86/61/388318661.db2.gz VAFCDRREAFDXBK-DGCLKSJQSA-N 0 3 209.333 1.881 20 30 BDEDHN C#C[C@H](CC)NC(=O)c1ccccc1CN(C)C ZINC000491760910 388318774 /nfs/dbraw/zinc/31/87/74/388318774.db2.gz SVGAGITXQUYPCM-CYBMUJFWSA-N 0 3 244.338 1.890 20 30 BDEDHN C#CCN(CC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000491810261 388322827 /nfs/dbraw/zinc/32/28/27/388322827.db2.gz ZUXMJQJZPSNCEV-SNVBAGLBSA-N 0 3 207.273 1.037 20 30 BDEDHN C#C[C@H](CC)NCc1cnc2n[nH]c(C)c2c1 ZINC000491821315 388324183 /nfs/dbraw/zinc/32/41/83/388324183.db2.gz VKKTVWIPJXJVBV-LLVKDONJSA-N 0 3 228.299 1.768 20 30 BDEDHN CC(C)N(CCC#N)C(=O)/C=C/CN(C)C ZINC000491886872 388326508 /nfs/dbraw/zinc/32/65/08/388326508.db2.gz RUNXWKYMMZAFRQ-FNORWQNLSA-N 0 3 223.320 1.255 20 30 BDEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000490962478 388261571 /nfs/dbraw/zinc/26/15/71/388261571.db2.gz NMCZGNVOJSSAMC-RYUDHWBXSA-N 0 3 237.347 1.038 20 30 BDEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC000490986493 388263856 /nfs/dbraw/zinc/26/38/56/388263856.db2.gz SUCXWFHSQRKORO-OLZOCXBDSA-N 0 3 236.359 1.635 20 30 BDEDHN C#CCN(C)CCCN[C@H](C)c1ccncc1F ZINC000491118053 388270464 /nfs/dbraw/zinc/27/04/64/388270464.db2.gz BHCXOGJWIRIMFL-GFCCVEGCSA-N 0 3 249.333 1.826 20 30 BDEDHN C#CC(C)(C)N(C)CCNC(=O)OC(C)(C)C ZINC000491127879 388272051 /nfs/dbraw/zinc/27/20/51/388272051.db2.gz YBMXLZMXUZUMEG-UHFFFAOYSA-N 0 3 240.347 1.855 20 30 BDEDHN CN(C)CCNc1nc2c(cc1C#N)CCC2 ZINC000042245710 388275051 /nfs/dbraw/zinc/27/50/51/388275051.db2.gz JSDBJZUVWWSMDU-UHFFFAOYSA-N 0 3 230.315 1.415 20 30 BDEDHN C#C[C@H](CCC)NC(=O)CN(CC)CC ZINC000491192131 388275529 /nfs/dbraw/zinc/27/55/29/388275529.db2.gz LLINTIJTJIBRJK-LLVKDONJSA-N 0 3 210.321 1.246 20 30 BDEDHN C#CCNC(=O)CCN(C)Cc1ccc(F)cc1 ZINC000491202881 388277327 /nfs/dbraw/zinc/27/73/27/388277327.db2.gz QLIFKINJULFXOB-UHFFFAOYSA-N 0 3 248.301 1.397 20 30 BDEDHN C#C[C@H](C)N(C)CCc1ccccc1C(=O)OC ZINC000491253119 388280091 /nfs/dbraw/zinc/28/00/91/388280091.db2.gz LXCZAWLVDZDJHX-LBPRGKRZSA-N 0 3 245.322 1.969 20 30 BDEDHN C#C[C@H](C)N(C)CCCc1nc(C)no1 ZINC000491252035 388280186 /nfs/dbraw/zinc/28/01/86/388280186.db2.gz DXUSAABHOFHFDF-VIFPVBQESA-N 0 3 207.277 1.264 20 30 BDEDHN C[C@H](CO)N(C)Cc1ccc(F)c(C#N)c1 ZINC000131915649 388353439 /nfs/dbraw/zinc/35/34/39/388353439.db2.gz 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/nfs/dbraw/zinc/74/07/88/584740788.db2.gz PJLKXTSUQBYJJS-SECBINFHSA-N 0 3 239.344 1.919 20 30 BDEDHN C#C[C@@H](NCc1cncn1CC)C1CCOCC1 ZINC000827555275 584899369 /nfs/dbraw/zinc/89/93/69/584899369.db2.gz QWJGPXLQQAKOGM-CQSZACIVSA-N 0 3 247.342 1.421 20 30 BDEDHN CCC(Cc1cccs1)N=NC(=N)N ZINC000730945888 584920378 /nfs/dbraw/zinc/92/03/78/584920378.db2.gz UIDNTCRXLMQUJK-UHFFFAOYSA-N 0 3 210.306 1.540 20 30 BDEDHN C=CCN(CCN1CCOC1=O)C(C)C ZINC000731103906 584922207 /nfs/dbraw/zinc/92/22/07/584922207.db2.gz OGYQDEJHHPBBMX-UHFFFAOYSA-N 0 3 212.293 1.335 20 30 BDEDHN C#CCCNC(=O)NC[C@@H](C)N1CCCCC1 ZINC000733648781 584951430 /nfs/dbraw/zinc/95/14/30/584951430.db2.gz VYYHEXJPNBXYOC-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN C#CCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000733643680 584951444 /nfs/dbraw/zinc/95/14/44/584951444.db2.gz WNVDYCUGMHDUKR-GFCCVEGCSA-N 0 3 237.347 1.183 20 30 BDEDHN C=CC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000735409125 584976401 /nfs/dbraw/zinc/97/64/01/584976401.db2.gz BVIBJBNURMPUMX-JTQLQIEISA-N 0 3 243.314 1.921 20 30 BDEDHN C=CC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735409125 584976402 /nfs/dbraw/zinc/97/64/02/584976402.db2.gz BVIBJBNURMPUMX-JTQLQIEISA-N 0 3 243.314 1.921 20 30 BDEDHN COc1cccc([C@@H](O)CNC(=O)C(C)C#N)c1 ZINC000736679348 585009576 /nfs/dbraw/zinc/00/95/76/585009576.db2.gz BOHZHGRQKNYWRI-CABZTGNLSA-N 0 3 248.282 1.004 20 30 BDEDHN CC(C#N)C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000736680748 585009596 /nfs/dbraw/zinc/00/95/96/585009596.db2.gz SHMKLZNAPVLHMX-ZWNOBZJWSA-N 0 3 232.283 1.170 20 30 BDEDHN C=C1CCN(CCC(=O)N2CCCC2)CC1 ZINC000838840286 585073651 /nfs/dbraw/zinc/07/36/51/585073651.db2.gz QKZLVBWWLYROJH-UHFFFAOYSA-N 0 3 222.332 1.651 20 30 BDEDHN C#CCSCCNCc1cnc(C2CC2)nc1 ZINC000838960702 585082135 /nfs/dbraw/zinc/08/21/35/585082135.db2.gz SQNSFYCPLQYYLV-UHFFFAOYSA-N 0 3 247.367 1.810 20 30 BDEDHN C#CCCN1CCC(NC(=O)c2ccco2)CC1 ZINC000740737768 585105980 /nfs/dbraw/zinc/10/59/80/585105980.db2.gz WHHQOKNFMJNDDN-UHFFFAOYSA-N 0 3 246.310 1.497 20 30 BDEDHN CC(C#N)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000740939099 585108171 /nfs/dbraw/zinc/10/81/71/585108171.db2.gz JRORZWZAZPAKMV-KCJUWKMLSA-N 0 3 238.312 1.231 20 30 BDEDHN C#CCN1CCC[C@H](NCc2scnc2C)C1 ZINC000886211557 585113216 /nfs/dbraw/zinc/11/32/16/585113216.db2.gz RYEHQDAGGKYHEW-LBPRGKRZSA-N 0 3 249.383 1.639 20 30 BDEDHN C[C@H]1CC(=NNC2CCCC2)CCN1C ZINC000741464634 585114263 /nfs/dbraw/zinc/11/42/63/585114263.db2.gz RVATZBHMCUDFPK-JTQLQIEISA-N 0 3 209.337 1.989 20 30 BDEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NCCC#N)C1 ZINC000741792985 585118862 /nfs/dbraw/zinc/11/88/62/585118862.db2.gz FJUISGNIURGUHT-VXGBXAGGSA-N 0 3 237.347 1.527 20 30 BDEDHN Cc1ccccc1C1CC(N=NC(=N)N)C1 ZINC000743417674 585136397 /nfs/dbraw/zinc/13/63/97/585136397.db2.gz NBJOIUODKUZJRG-UHFFFAOYSA-N 0 3 216.288 1.711 20 30 BDEDHN C#CCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000745902366 585161284 /nfs/dbraw/zinc/16/12/84/585161284.db2.gz HNXBKFSANKFWKF-CYBMUJFWSA-N 0 3 249.358 1.278 20 30 BDEDHN CC[C@H]1C[C@H](C)CN1CC(=O)NCCC#N ZINC000745948698 585161540 /nfs/dbraw/zinc/16/15/40/585161540.db2.gz RWZGMBLDDHXSTH-QWRGUYRKSA-N 0 3 223.320 1.137 20 30 BDEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)NCCC#N ZINC000745948699 585161763 /nfs/dbraw/zinc/16/17/63/585161763.db2.gz RWZGMBLDDHXSTH-WDEREUQCSA-N 0 3 223.320 1.137 20 30 BDEDHN Cc1cc(N)cc(C)c1C=NN1CCN(C)CC1 ZINC000752712618 585248974 /nfs/dbraw/zinc/24/89/74/585248974.db2.gz AVNIMDYGZTYKSN-UHFFFAOYSA-N 0 3 246.358 1.467 20 30 BDEDHN C#CCOCCN[C@H](CC)c1c(C)nn(C)c1C ZINC000753762768 585268482 /nfs/dbraw/zinc/26/84/82/585268482.db2.gz YQQZYTHGIQVLGA-CYBMUJFWSA-N 0 3 249.358 1.727 20 30 BDEDHN C#CCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000753766458 585268591 /nfs/dbraw/zinc/26/85/91/585268591.db2.gz FUGKTOSDVJSZRP-NSHDSACASA-N 0 3 248.282 1.895 20 30 BDEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccoc1 ZINC000753937269 585272584 /nfs/dbraw/zinc/27/25/84/585272584.db2.gz ZLNYJVHRJDCQHE-TXEJJXNPSA-N 0 3 246.314 1.864 20 30 BDEDHN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccnc1 ZINC000753938636 585272588 /nfs/dbraw/zinc/27/25/88/585272588.db2.gz LGJDYUWWGFDLEZ-TXEJJXNPSA-N 0 3 243.314 1.276 20 30 BDEDHN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccco1 ZINC000753941037 585272648 /nfs/dbraw/zinc/27/26/48/585272648.db2.gz WHMNGSJCVDFQMW-QWRGUYRKSA-N 0 3 232.287 1.474 20 30 BDEDHN C#CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000753964638 585273552 /nfs/dbraw/zinc/27/35/52/585273552.db2.gz RXZCCOYSAAULEE-UHFFFAOYSA-N 0 3 248.301 1.349 20 30 BDEDHN C#CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000753970547 585273968 /nfs/dbraw/zinc/27/39/68/585273968.db2.gz MGWMEZOJSLLKQN-ZDUSSCGKSA-N 0 3 230.311 1.347 20 30 BDEDHN CC(=NNC(=N)N)c1cc2ccc(C)cc2o1 ZINC000754924554 585292443 /nfs/dbraw/zinc/29/24/43/585292443.db2.gz VRNRRQKNKFGQAY-UHFFFAOYSA-N 0 3 230.271 1.948 20 30 BDEDHN C(=Nn1cnnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000755462725 585300010 /nfs/dbraw/zinc/30/00/10/585300010.db2.gz CEDFPSWCPHBCLP-VXGBXAGGSA-N 0 3 212.256 1.916 20 30 BDEDHN C#C[C@H](NCCC1(O)CCC1)[C@@H]1CCCO1 ZINC000839563635 585331248 /nfs/dbraw/zinc/33/12/48/585331248.db2.gz KLYRGBUOHXCJQU-RYUDHWBXSA-N 0 3 223.316 1.062 20 30 BDEDHN COC(=O)[C@H]1[C@@H]2CN([C@H](C)CCC#N)C[C@@H]21 ZINC000839604934 585331873 /nfs/dbraw/zinc/33/18/73/585331873.db2.gz HJRHBXIERGAREA-ZNSHCXBVSA-N 0 3 222.288 1.029 20 30 BDEDHN CN(CCO)c1ccc(C=NNC2CC2)cc1 ZINC000758133157 585350347 /nfs/dbraw/zinc/35/03/47/585350347.db2.gz LZXVCXAYYGQQCM-UHFFFAOYSA-N 0 3 233.315 1.201 20 30 BDEDHN C#CCCCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000758636259 585357831 /nfs/dbraw/zinc/35/78/31/585357831.db2.gz ICVOLXJRYDZNRI-STQMWFEESA-N 0 3 236.359 1.779 20 30 BDEDHN CC[C@]1(C)CCN(CC(=O)NCCC#N)C1 ZINC000758739018 585359356 /nfs/dbraw/zinc/35/93/56/585359356.db2.gz GEBNQKVBESZGKP-GFCCVEGCSA-N 0 3 223.320 1.138 20 30 BDEDHN FC(F)CON=C1CCN2CCC[C@@H]12 ZINC000758900151 585361907 /nfs/dbraw/zinc/36/19/07/585361907.db2.gz QAUNMRNCHUTZGA-QMMMGPOBSA-N 0 3 204.220 1.492 20 30 BDEDHN FC(F)CON=C1CN2CCC1CC2 ZINC000758906485 585362246 /nfs/dbraw/zinc/36/22/46/585362246.db2.gz ILTLJMGVTWADBX-UHFFFAOYSA-N 0 3 204.220 1.350 20 30 BDEDHN CCN1CCC(=NOCC(F)F)[C@H](C)C1 ZINC000758906968 585362305 /nfs/dbraw/zinc/36/23/05/585362305.db2.gz PLSOTGYEDBHDPV-MRVPVSSYSA-N 0 3 220.263 1.986 20 30 BDEDHN CCC(=NN[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000759204997 585365467 /nfs/dbraw/zinc/36/54/67/585365467.db2.gz KARJGYWRNCZLHZ-LLVKDONJSA-N 0 3 249.358 1.837 20 30 BDEDHN C#CCCCC(=O)NCCN(C)CCCC ZINC000760319176 585390129 /nfs/dbraw/zinc/39/01/29/585390129.db2.gz CTOSZVOUOJJTJO-UHFFFAOYSA-N 0 3 224.348 1.638 20 30 BDEDHN CS[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760336547 585390498 /nfs/dbraw/zinc/39/04/98/585390498.db2.gz ZRSXCUNOFKXQJI-YUMQZZPRSA-N 0 3 221.285 1.404 20 30 BDEDHN CC1(OCC(=O)C(C#N)c2ccncn2)CCC1 ZINC000760333594 585390597 /nfs/dbraw/zinc/39/05/97/585390597.db2.gz LQGXNXVHFRIBHX-JTQLQIEISA-N 0 3 245.282 1.612 20 30 BDEDHN C=CCCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760341122 585390766 /nfs/dbraw/zinc/39/07/66/585390766.db2.gz QLHDHVWLKIJTJA-QWRGUYRKSA-N 0 3 245.282 1.634 20 30 BDEDHN C#CCCN1CCC[C@H](N2CCCC2=O)C1 ZINC000760831644 585398217 /nfs/dbraw/zinc/39/82/17/585398217.db2.gz BPKVJAAAYNQZOW-LBPRGKRZSA-N 0 3 220.316 1.097 20 30 BDEDHN C[C@@H]1CC(N=Nc2cnn(C)c2)CN1C1CC1 ZINC000761869952 585421232 /nfs/dbraw/zinc/42/12/32/585421232.db2.gz NXDUTKBVTMRPOU-SECBINFHSA-N 0 3 233.319 1.445 20 30 BDEDHN CCC1(CC)C(N=NC(=N)N)C[C@@H]1OC ZINC000762601614 585434597 /nfs/dbraw/zinc/43/45/97/585434597.db2.gz BQIGDCVLWWPVGT-QMMMGPOBSA-N 0 3 212.297 1.051 20 30 BDEDHN N#CCC1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763762354 585454106 /nfs/dbraw/zinc/45/41/06/585454106.db2.gz WHQUQZHGTXGVNN-LBPRGKRZSA-N 0 3 248.326 1.708 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cccc(O)c1 ZINC000763903016 585456780 /nfs/dbraw/zinc/45/67/80/585456780.db2.gz SRPGTSHJIHAACZ-UHFFFAOYSA-N 0 3 220.272 1.449 20 30 BDEDHN C=C(CN(C)C)C(=O)NCCCCCC ZINC000764076912 585459498 /nfs/dbraw/zinc/45/94/98/585459498.db2.gz QXJWIQZJUMATSD-UHFFFAOYSA-N 0 3 212.337 1.801 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000764099730 585459841 /nfs/dbraw/zinc/45/98/41/585459841.db2.gz JIJQZKPEZWAZNM-UHFFFAOYSA-N 0 3 247.342 1.809 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000764168685 585460869 /nfs/dbraw/zinc/46/08/69/585460869.db2.gz DCNQPFIUKWRYQB-ZYHUDNBSSA-N 0 3 224.348 1.799 20 30 BDEDHN C=C(CN(C)C)C(=O)N(C)Cc1cscn1 ZINC000764442214 585465569 /nfs/dbraw/zinc/46/55/69/585465569.db2.gz JAGARXGHSDXDHI-UHFFFAOYSA-N 0 3 239.344 1.219 20 30 BDEDHN C=C(CN(C)C)C(=O)NC1CCSCC1 ZINC000764471448 585465921 /nfs/dbraw/zinc/46/59/21/585465921.db2.gz FPVSOABMRNWNOJ-UHFFFAOYSA-N 0 3 228.361 1.116 20 30 BDEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764803652 585474373 /nfs/dbraw/zinc/47/43/73/585474373.db2.gz FFNWQDVNPPOQKX-WCQYABFASA-N 0 3 249.358 1.324 20 30 BDEDHN CCN(CCC#N)C(=O)C1(N(C)C)CCC1 ZINC000764871529 585476579 /nfs/dbraw/zinc/47/65/79/585476579.db2.gz VJTBXOQPTSERSH-UHFFFAOYSA-N 0 3 223.320 1.233 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000766665011 585504832 /nfs/dbraw/zinc/50/48/32/585504832.db2.gz BDUZSOSJMGPWIO-SNVBAGLBSA-N 0 3 249.310 1.863 20 30 BDEDHN C#CCCCN(C)[C@H]1CCCCNC1=O ZINC000766895035 585509338 /nfs/dbraw/zinc/50/93/38/585509338.db2.gz IFVUIXNMPDARPI-NSHDSACASA-N 0 3 208.305 1.000 20 30 BDEDHN C#CCCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000766901386 585510244 /nfs/dbraw/zinc/51/02/44/585510244.db2.gz NFVQNRSLRABQRI-AWEZNQCLSA-N 0 3 248.370 1.877 20 30 BDEDHN C#CCCCN1CCc2nn(CC)c(=O)cc2C1 ZINC000766904377 585510807 /nfs/dbraw/zinc/51/08/07/585510807.db2.gz ZDLZBFLCDVGZPO-UHFFFAOYSA-N 0 3 245.326 1.035 20 30 BDEDHN C#CCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000766907272 585511319 /nfs/dbraw/zinc/51/13/19/585511319.db2.gz XYJKUXQNNQKSMM-OLZOCXBDSA-N 0 3 223.316 1.280 20 30 BDEDHN C#CCC(C)(C)C(=O)NCCN1CCC[C@@H]1C ZINC000767086348 585513679 /nfs/dbraw/zinc/51/36/79/585513679.db2.gz HMKVAECBAKHANH-LBPRGKRZSA-N 0 3 236.359 1.636 20 30 BDEDHN CCON=Cc1ccc(N(C)CCO)cc1 ZINC000767461343 585520538 /nfs/dbraw/zinc/52/05/38/585520538.db2.gz IQSODIAHFXHIHH-UHFFFAOYSA-N 0 3 222.288 1.486 20 30 BDEDHN C#CCCN1CCC(NC(=O)C(C)(C)F)CC1 ZINC000768402778 585538191 /nfs/dbraw/zinc/53/81/91/585538191.db2.gz TXKVJBVHGBPCQX-UHFFFAOYSA-N 0 3 240.322 1.338 20 30 BDEDHN C#CCOc1ccc(CN2CC[C@@H](OC)C2)cc1 ZINC000769447687 585556712 /nfs/dbraw/zinc/55/67/12/585556712.db2.gz VMLLQPLKFUPBGH-OAHLLOKOSA-N 0 3 245.322 1.919 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nccn2C)C1 ZINC000770027488 585569812 /nfs/dbraw/zinc/56/98/12/585569812.db2.gz UEDPHUHZMMVGLH-OLZOCXBDSA-N 0 3 249.358 1.537 20 30 BDEDHN C=CCOCC(=O)OCCN(CC)CC ZINC000772090990 585608508 /nfs/dbraw/zinc/60/85/08/585608508.db2.gz LEAXIVWIWRULLG-UHFFFAOYSA-N 0 3 215.293 1.074 20 30 BDEDHN C#CCCCCC(=O)NCCN1CC[C@H](C)C1 ZINC000773407653 585636419 /nfs/dbraw/zinc/63/64/19/585636419.db2.gz ANEKAGOZOMVRGF-ZDUSSCGKSA-N 0 3 236.359 1.638 20 30 BDEDHN C#C[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000773595939 585641351 /nfs/dbraw/zinc/64/13/51/585641351.db2.gz HXIDPRLPUWVMEP-CHWSQXEVSA-N 0 3 249.358 1.278 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1(C2CC2)CCC1 ZINC000774067726 585649609 /nfs/dbraw/zinc/64/96/09/585649609.db2.gz CRIWYKXWTPZBLP-UHFFFAOYSA-N 0 3 236.359 1.801 20 30 BDEDHN C1CC(ON=C2CN3CCC2CC3)CCO1 ZINC000774441450 585659314 /nfs/dbraw/zinc/65/93/14/585659314.db2.gz MAPSYZLKAYTHFF-UHFFFAOYSA-N 0 3 224.304 1.264 20 30 BDEDHN N#Cc1ccc(CNC[C@@H]2CCC=CO2)nc1 ZINC000775097228 585672161 /nfs/dbraw/zinc/67/21/61/585672161.db2.gz OYBFVLQRKKGMFZ-ZDUSSCGKSA-N 0 3 229.283 1.736 20 30 BDEDHN C#C[C@@H](C)N(C)Cc1cc(OC)ccc1O ZINC000775184051 585673077 /nfs/dbraw/zinc/67/30/77/585673077.db2.gz UHDNXCZRGRVULH-SNVBAGLBSA-N 0 3 219.284 1.854 20 30 BDEDHN C#C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC000775386557 585676941 /nfs/dbraw/zinc/67/69/41/585676941.db2.gz YYEMUOGRFDFFNI-GFCCVEGCSA-N 0 3 224.348 1.636 20 30 BDEDHN C#CCNC(=O)CN[C@@](C)(CC)c1ccccc1 ZINC000775389762 585677400 /nfs/dbraw/zinc/67/74/00/585677400.db2.gz YPHFOCTVYZUQIK-HNNXBMFYSA-N 0 3 244.338 1.651 20 30 BDEDHN C#C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CCCO1 ZINC000775573013 585680788 /nfs/dbraw/zinc/68/07/88/585680788.db2.gz VWWXJOSYNDIHCR-SPWCGHHHSA-N 0 3 248.370 1.240 20 30 BDEDHN C#C[C@H](NCCc1cccnc1)[C@@H]1CCCO1 ZINC000775787965 585684641 /nfs/dbraw/zinc/68/46/41/585684641.db2.gz CAYXUPAWPPLCHZ-KBPBESRZSA-N 0 3 230.311 1.395 20 30 BDEDHN C#C[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000776478244 585699208 /nfs/dbraw/zinc/69/92/08/585699208.db2.gz RMPAWFCAANTVCA-RYUDHWBXSA-N 0 3 237.347 1.039 20 30 BDEDHN Cc1ccncc1CCC=Nn1cnnc1 ZINC000776722535 585703378 /nfs/dbraw/zinc/70/33/78/585703378.db2.gz SGDPROUDXAMCOZ-UHFFFAOYSA-N 0 3 215.260 1.448 20 30 BDEDHN CCCN1CCC[C@H]1C(=O)NC1=NO[C@H](C)C1 ZINC000777435801 585711570 /nfs/dbraw/zinc/71/15/70/585711570.db2.gz LKKDEMRIVUTHMA-ZJUUUORDSA-N 0 3 239.319 1.099 20 30 BDEDHN CC(C#N)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000779054381 585744697 /nfs/dbraw/zinc/74/46/97/585744697.db2.gz CFSBVXZJZGTBLM-SSDOTTSWSA-N 0 3 240.694 1.192 20 30 BDEDHN C[C@H]1CN=C(NN=C2CCCc3ccccc32)N1 ZINC000779793279 585764223 /nfs/dbraw/zinc/76/42/23/585764223.db2.gz RRMHOMROFRXIOA-JTQLQIEISA-N 0 3 242.326 1.664 20 30 BDEDHN C[C@@H]1CN(C)CC1N=Nc1ccc2n[nH]cc2c1 ZINC000779815972 585766827 /nfs/dbraw/zinc/76/68/27/585766827.db2.gz IODRDYKILACGLI-SECBINFHSA-N 0 3 243.314 1.912 20 30 BDEDHN C#CCCCCCC(=O)NCCN(C)C ZINC000780675563 585783046 /nfs/dbraw/zinc/78/30/46/585783046.db2.gz YOPYQVDWUNCJBP-UHFFFAOYSA-N 0 3 210.321 1.248 20 30 BDEDHN Nc1ncc(C=NNc2cc(F)cc(F)c2)cn1 ZINC000781590177 585799820 /nfs/dbraw/zinc/79/98/20/585799820.db2.gz UESYSGFOCPLTBT-UHFFFAOYSA-N 0 3 249.224 1.783 20 30 BDEDHN CO[C@@H](c1ccccc1)C(C)N=NC(=N)N ZINC000782199324 585811998 /nfs/dbraw/zinc/81/19/98/585811998.db2.gz RKYRWKDNJUWTGE-SNVBAGLBSA-N 0 3 220.276 1.233 20 30 BDEDHN C#CCNC(=O)CN1CCCC2(CCCC2)C1 ZINC000782633987 585823653 /nfs/dbraw/zinc/82/36/53/585823653.db2.gz DRKAISRKJGQWAF-UHFFFAOYSA-N 0 3 234.343 1.392 20 30 BDEDHN N#CCCNC(=O)CN1CCCC2(CCCC2)C1 ZINC000782637820 585823889 /nfs/dbraw/zinc/82/38/89/585823889.db2.gz WXLYWBDQGWPSJB-UHFFFAOYSA-N 0 3 249.358 1.672 20 30 BDEDHN C#CCCN1CCOCC2(CCOCC2)C1 ZINC000784609443 585864676 /nfs/dbraw/zinc/86/46/76/585864676.db2.gz FMMRHAFMYXKYNZ-UHFFFAOYSA-N 0 3 223.316 1.139 20 30 BDEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000785489085 585874469 /nfs/dbraw/zinc/87/44/69/585874469.db2.gz XIOIXLSOVINMFX-BYCMXARLSA-N 0 3 242.322 1.933 20 30 BDEDHN CC#CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000788291838 585921217 /nfs/dbraw/zinc/92/12/17/585921217.db2.gz DKGJJNNNXCKXFO-GFCCVEGCSA-N 0 3 222.332 1.246 20 30 BDEDHN CC(=NN[C@@H]1CCOC1)c1ccccc1N(C)C ZINC000788445824 585924146 /nfs/dbraw/zinc/92/41/46/585924146.db2.gz JNWYJUKMBRIYNZ-GFCCVEGCSA-N 0 3 247.342 1.855 20 30 BDEDHN CN(C)c1ccc(C=NN[C@H]2CCOC2)cc1 ZINC000788448527 585924179 /nfs/dbraw/zinc/92/41/79/585924179.db2.gz WGTUOSHQMVQAAO-LBPRGKRZSA-N 0 3 233.315 1.465 20 30 BDEDHN C#CCCN1CCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC000789362795 585941554 /nfs/dbraw/zinc/94/15/54/585941554.db2.gz UHWMOKOYKGQWQR-UONOGXRCSA-N 0 3 236.359 1.195 20 30 BDEDHN Cn1cc[nH+]c1[N-]N=Cc1ccc(Cl)nc1 ZINC000790302867 585963050 /nfs/dbraw/zinc/96/30/50/585963050.db2.gz YVTVLKBIHJRPFV-UHFFFAOYSA-N 0 3 235.678 1.915 20 30 BDEDHN C=C(CO)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000791379410 585979661 /nfs/dbraw/zinc/97/96/61/585979661.db2.gz JHBUKOATUKYDSU-UHFFFAOYSA-N 0 3 248.326 1.544 20 30 BDEDHN C[C@@H]1CC(=NNCCC(F)(F)F)CCN1C ZINC000794547158 586043362 /nfs/dbraw/zinc/04/33/62/586043362.db2.gz ZOFPVTYRENJCOU-MRVPVSSYSA-N 0 3 237.269 1.999 20 30 BDEDHN COCCN(C)N=Cc1ccc2c(c1)CCN2C ZINC000794966195 586058653 /nfs/dbraw/zinc/05/86/53/586058653.db2.gz OGPHJYZMRATNSK-UHFFFAOYSA-N 0 3 247.342 1.591 20 30 BDEDHN COCCN(C)N=C(C)c1ccc(N)cc1C ZINC000794969576 586059388 /nfs/dbraw/zinc/05/93/88/586059388.db2.gz HNYBNBRQEQATOM-UHFFFAOYSA-N 0 3 235.331 1.879 20 30 BDEDHN C#CCNC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000796532587 586106168 /nfs/dbraw/zinc/10/61/68/586106168.db2.gz OVQHPTSKCDQLOY-NSHDSACASA-N 0 3 222.332 1.246 20 30 BDEDHN C#CCN(Cc1ccccc1)C[C@H](C)CO ZINC000796642057 586108974 /nfs/dbraw/zinc/10/89/74/586108974.db2.gz WPZUYAVCGMEICC-ZDUSSCGKSA-N 0 3 217.312 1.750 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000799067204 586155467 /nfs/dbraw/zinc/15/54/67/586155467.db2.gz UHRADCZPNORNJF-QWRGUYRKSA-N 0 3 229.283 1.557 20 30 BDEDHN C#C[C@@](C)(CC)NCC(=O)NCC(C)(C)C ZINC000859320229 589031013 /nfs/dbraw/zinc/03/10/13/589031013.db2.gz WCNLQVPVFFOIGC-ZDUSSCGKSA-N 0 3 224.348 1.540 20 30 BDEDHN C=CCN(CCC(=O)N(C)OC)C1CC1 ZINC000799152283 586163147 /nfs/dbraw/zinc/16/31/47/586163147.db2.gz PMLYWOXHTYDPRV-UHFFFAOYSA-N 0 3 212.293 1.047 20 30 BDEDHN CC[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000799315146 586171285 /nfs/dbraw/zinc/17/12/85/586171285.db2.gz WJNOBFKBEKJSIR-ZDUSSCGKSA-N 0 3 230.311 1.908 20 30 BDEDHN C#C[C@@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000859335843 589032577 /nfs/dbraw/zinc/03/25/77/589032577.db2.gz HPSHCTYXDOCCIX-CHWSQXEVSA-N 0 3 232.327 1.386 20 30 BDEDHN Cc1ccc([C@H](O)CN[C@H]2CC[C@@H](C#N)C2)o1 ZINC000799718461 586193722 /nfs/dbraw/zinc/19/37/22/586193722.db2.gz BOQAJJYNBCJEHG-GRYCIOLGSA-N 0 3 234.299 1.903 20 30 BDEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccnc2)C1 ZINC000799717100 586194062 /nfs/dbraw/zinc/19/40/62/586194062.db2.gz HDTPRCATKZHAFO-VXGBXAGGSA-N 0 3 231.299 1.742 20 30 BDEDHN CC(=NNC(=N)N)c1c(C)cc(C)cc1O ZINC000799874932 586198899 /nfs/dbraw/zinc/19/88/99/586198899.db2.gz GMCJFGNSGFFJBF-UHFFFAOYSA-N 0 3 220.276 1.216 20 30 BDEDHN COCC[C@H]1CCCC1=NNC1=N[C@@H](C)CN1 ZINC000799884426 586200821 /nfs/dbraw/zinc/20/08/21/586200821.db2.gz MQOZGDTYDIGUPU-VHSXEESVSA-N 0 3 238.335 1.116 20 30 BDEDHN C#CCOCCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859414884 589035762 /nfs/dbraw/zinc/03/57/62/589035762.db2.gz NIRMIEABQMGQEX-PHIMTYICSA-N 0 3 231.286 1.859 20 30 BDEDHN CC#CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000801149736 586243440 /nfs/dbraw/zinc/24/34/40/586243440.db2.gz UQEUZZJPEOIJRS-CYBMUJFWSA-N 0 3 234.343 1.487 20 30 BDEDHN CC#CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000801153754 586243964 /nfs/dbraw/zinc/24/39/64/586243964.db2.gz BVVTVFFGVCADGO-LBPRGKRZSA-N 0 3 220.316 1.097 20 30 BDEDHN CC#CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000801253263 586250070 /nfs/dbraw/zinc/25/00/70/586250070.db2.gz UAWHOSSWQNIYBS-LBPRGKRZSA-N 0 3 220.316 1.143 20 30 BDEDHN C#CCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801870740 586276116 /nfs/dbraw/zinc/27/61/16/586276116.db2.gz DYYLYODJALZQKS-UHFFFAOYSA-N 0 3 221.300 1.427 20 30 BDEDHN CCN(CCO[C@H](C)C#N)CCc1ccccn1 ZINC000801930018 586278844 /nfs/dbraw/zinc/27/88/44/586278844.db2.gz BUZGCAXRCVIXPB-CYBMUJFWSA-N 0 3 247.342 1.875 20 30 BDEDHN C[C@H](C#N)OCCN1CCOCC[C@H]1C ZINC000801938513 586279144 /nfs/dbraw/zinc/27/91/44/586279144.db2.gz FWEXOELTQPOFRJ-GHMZBOCLSA-N 0 3 212.293 1.026 20 30 BDEDHN C#CCNC(=O)C1CCN([C@@H](C)C#CCC)CC1 ZINC000801985346 586285251 /nfs/dbraw/zinc/28/52/51/586285251.db2.gz QZFVORAAYPZKRN-ZDUSSCGKSA-N 0 3 246.354 1.250 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1cc2ccccn2n1 ZINC000804377931 586394027 /nfs/dbraw/zinc/39/40/27/586394027.db2.gz UUNCMAJOQZXEPT-UHFFFAOYSA-N 0 3 244.298 1.391 20 30 BDEDHN C#CCC(CC#C)C(=O)NCCN1CCC[C@H]1C ZINC000807270918 586431127 /nfs/dbraw/zinc/43/11/27/586431127.db2.gz CQXVMBYJHBKKBW-CYBMUJFWSA-N 0 3 246.354 1.250 20 30 BDEDHN CCOC(=O)CC(C)(C)C=Nn1cnnc1 ZINC000807940342 586452569 /nfs/dbraw/zinc/45/25/69/586452569.db2.gz IPWLSIKWMFIVNV-UHFFFAOYSA-N 0 3 224.264 1.091 20 30 BDEDHN Oc1ccc2c(n1)CCCC2=NNc1nnc[nH]1 ZINC000807996484 586456367 /nfs/dbraw/zinc/45/63/67/586456367.db2.gz VFYDUVJBRSJXFB-UHFFFAOYSA-N 0 3 244.258 1.058 20 30 BDEDHN C#Cc1ccc(CNCC[C@H](C)[S@@](C)=O)cc1 ZINC000809634084 586510252 /nfs/dbraw/zinc/51/02/52/586510252.db2.gz QTYHVPDJKZXSQQ-YVEFUNNKSA-N 0 3 249.379 1.915 20 30 BDEDHN CC[C@@H](C)NN=Cc1cnc(N(C)C)n1C ZINC000811648710 586562917 /nfs/dbraw/zinc/56/29/17/586562917.db2.gz PKWFPPKCQLISDZ-SECBINFHSA-N 0 3 223.324 1.208 20 30 BDEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000812051735 586569666 /nfs/dbraw/zinc/56/96/66/586569666.db2.gz GVUIMCFRGHKOHH-AAEUAGOBSA-N 0 3 249.358 1.134 20 30 BDEDHN CCN(CC)CCOC(=O)CCCC#N ZINC000812614255 586580439 /nfs/dbraw/zinc/58/04/39/586580439.db2.gz HPXJJGYHLZRQBT-UHFFFAOYSA-N 0 3 212.293 1.565 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H](CC)CCC ZINC000813427652 586601766 /nfs/dbraw/zinc/60/17/66/586601766.db2.gz KTQOGPBNZQOQKC-LLVKDONJSA-N 0 3 212.337 1.799 20 30 BDEDHN C#CCCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000814143071 586614544 /nfs/dbraw/zinc/61/45/44/586614544.db2.gz LQCNKOJJAJLEKI-CHWSQXEVSA-N 0 3 234.343 1.343 20 30 BDEDHN C#CCCCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000814143072 586614670 /nfs/dbraw/zinc/61/46/70/586614670.db2.gz LQCNKOJJAJLEKI-OLZOCXBDSA-N 0 3 234.343 1.343 20 30 BDEDHN CN(C)c1ccncc1C=NOCC1CC1 ZINC000814241449 586619348 /nfs/dbraw/zinc/61/93/48/586619348.db2.gz KVGOHGIGNSUJCU-UHFFFAOYSA-N 0 3 219.288 1.908 20 30 BDEDHN Cc1cc(Cl)cc2c1OCC2=NNC(=N)N ZINC000814796387 586634707 /nfs/dbraw/zinc/63/47/07/586634707.db2.gz AVHDMWOBPMVTDF-UHFFFAOYSA-N 0 3 238.678 1.228 20 30 BDEDHN CC1(C)CC(=NNC(=N)N)c2sccc2O1 ZINC000814796877 586634953 /nfs/dbraw/zinc/63/49/53/586634953.db2.gz UQQLMEHKOMDJDX-UHFFFAOYSA-N 0 3 238.316 1.496 20 30 BDEDHN CCC(=NNCCO)c1ccc(N(C)C)cc1 ZINC000814942989 586656906 /nfs/dbraw/zinc/65/69/06/586656906.db2.gz CBXLZUMOBJCHBI-UHFFFAOYSA-N 0 3 235.331 1.449 20 30 BDEDHN C#CCNC(=O)CCN(C)Cc1ccsc1 ZINC000815011392 586663763 /nfs/dbraw/zinc/66/37/63/586663763.db2.gz LLWDDVVHDIMNPR-UHFFFAOYSA-N 0 3 236.340 1.319 20 30 BDEDHN C=C(C)[C@H](CO)N1CCC2(CC1)OCCCO2 ZINC000815154170 586670348 /nfs/dbraw/zinc/67/03/48/586670348.db2.gz CRBXNNNTCBHFLW-LBPRGKRZSA-N 0 3 241.331 1.152 20 30 BDEDHN C#CCN(C)CCCN[C@@H](C)c1cc(C)nn1C ZINC000815651987 586690235 /nfs/dbraw/zinc/69/02/35/586690235.db2.gz LAJSNJGPOKJDGI-ZDUSSCGKSA-N 0 3 248.374 1.334 20 30 BDEDHN C#CCOCCN1CCC(F)(F)C[C@H]1C ZINC000859842413 589065640 /nfs/dbraw/zinc/06/56/40/589065640.db2.gz LNRXBLGJHNCNES-SNVBAGLBSA-N 0 3 217.259 1.756 20 30 BDEDHN C=C(CN(C)C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000817226990 586787153 /nfs/dbraw/zinc/78/71/53/586787153.db2.gz OHJBJEQDWDPMOA-BPCQOVAHSA-N 0 3 236.359 1.799 20 30 BDEDHN N=C(N)NN=C1CCCCc2ccc(N)cc21 ZINC000817323050 586794261 /nfs/dbraw/zinc/79/42/61/586794261.db2.gz QVANAVFJOHYWJH-UHFFFAOYSA-N 0 3 231.303 1.182 20 30 BDEDHN C[C@@H](O)CNN=C1CCCCc2ccc(N)cc21 ZINC000817330067 586795337 /nfs/dbraw/zinc/79/53/37/586795337.db2.gz SYSIMVXGOSJRHI-SNVBAGLBSA-N 0 3 247.342 1.670 20 30 BDEDHN CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N)cc1 ZINC000817333257 586796531 /nfs/dbraw/zinc/79/65/31/586796531.db2.gz ZENSOTMCFCZLHT-CHWSQXEVSA-N 0 3 233.315 1.496 20 30 BDEDHN C=C(Cl)CNC1CC(CC(=O)OC)C1 ZINC000818332778 586886669 /nfs/dbraw/zinc/88/66/69/586886669.db2.gz PXGTYDNVUQAWBU-UHFFFAOYSA-N 0 3 217.696 1.670 20 30 BDEDHN C#CCN(C)CCCNC(=O)[C@H](F)C(C)C ZINC000818593363 586904094 /nfs/dbraw/zinc/90/40/94/586904094.db2.gz VXIZFENPWZCYFU-LLVKDONJSA-N 0 3 228.311 1.052 20 30 BDEDHN CC(C#N)C(=O)N(C)C[C@](C)(O)c1ccccc1 ZINC000819709413 586988187 /nfs/dbraw/zinc/98/81/87/586988187.db2.gz RMJAQUAEHWVWSH-RISCZKNCSA-N 0 3 246.310 1.512 20 30 BDEDHN C#CCCN(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095089 589079895 /nfs/dbraw/zinc/07/98/95/589079895.db2.gz PBCDVDMCAJUDNL-NSHDSACASA-N 0 3 240.347 1.855 20 30 BDEDHN C#C[C@H](NC(=O)NCCN(C)C)c1ccccc1 ZINC000820595915 587057691 /nfs/dbraw/zinc/05/76/91/587057691.db2.gz TXBAMJISSRAZAB-ZDUSSCGKSA-N 0 3 245.326 1.222 20 30 BDEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CC=CCC1 ZINC000820688648 587066165 /nfs/dbraw/zinc/06/61/65/587066165.db2.gz XFULDDPLLBWWOF-CQSZACIVSA-N 0 3 248.370 1.804 20 30 BDEDHN C#CCN(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000822371269 587164637 /nfs/dbraw/zinc/16/46/37/587164637.db2.gz XYVCCWYXJMMLJU-LBPRGKRZSA-N 0 3 220.316 1.095 20 30 BDEDHN CC(C)N1CCC[C@@H]1C(=O)N([C@H](C)C#N)C1CC1 ZINC000825105536 587304776 /nfs/dbraw/zinc/30/47/76/587304776.db2.gz QMUJWLRLBTYNHY-DGCLKSJQSA-N 0 3 249.358 1.762 20 30 BDEDHN C#Cc1cccc(CN[C@@H]2CCOC2)c1 ZINC000825226365 587310149 /nfs/dbraw/zinc/31/01/49/587310149.db2.gz GINNQQWBRODMJE-CYBMUJFWSA-N 0 3 201.269 1.546 20 30 BDEDHN C#C[C@H](CC)NCc1ccnn1-c1ccncc1 ZINC000825878410 587343396 /nfs/dbraw/zinc/34/33/96/587343396.db2.gz MVULZNGFNGUWGO-GFCCVEGCSA-N 0 3 240.310 1.769 20 30 BDEDHN C#C[C@@H](C)NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000825878452 587343541 /nfs/dbraw/zinc/34/35/41/587343541.db2.gz OACSJWFCZDUZCI-DOMZBBRYSA-N 0 3 245.322 1.966 20 30 BDEDHN C#C[C@H](NCc1cnn2c1CCC2)C(C)(C)C ZINC000825940272 587346699 /nfs/dbraw/zinc/34/66/99/587346699.db2.gz RDYBCMPGHRYEPL-ZDUSSCGKSA-N 0 3 231.343 1.967 20 30 BDEDHN CC(C)N1CCC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000826005669 587348028 /nfs/dbraw/zinc/34/80/28/587348028.db2.gz KECVELLLPNFLSF-JSGCOSHPSA-N 0 3 249.358 1.621 20 30 BDEDHN CC#CC(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000826660249 587358092 /nfs/dbraw/zinc/35/80/92/587358092.db2.gz JPLYAVNSWWHXJQ-CQSZACIVSA-N 0 3 248.370 1.923 20 30 BDEDHN CC(C#N)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000827155872 587371553 /nfs/dbraw/zinc/37/15/53/587371553.db2.gz UFQKDRNYTRCJBZ-OPRDCNLKSA-N 0 3 224.329 1.358 20 30 BDEDHN C#Cc1cnc(NCCN2CCC[C@H](C)C2)nc1 ZINC000827396572 587379649 /nfs/dbraw/zinc/37/96/49/587379649.db2.gz VGURQQYIZNOXSO-LBPRGKRZSA-N 0 3 244.342 1.602 20 30 BDEDHN C#C[C@H](NCc1ccc(F)nc1)C1CCOCC1 ZINC000827561027 587388643 /nfs/dbraw/zinc/38/86/43/587388643.db2.gz XCDZMCPTIVPDSB-ZDUSSCGKSA-N 0 3 248.301 1.739 20 30 BDEDHN C#C[C@@H](NCc1ccnn1CC)C1CCOCC1 ZINC000827565898 587388726 /nfs/dbraw/zinc/38/87/26/587388726.db2.gz QALVAQYXBLBLNB-CQSZACIVSA-N 0 3 247.342 1.421 20 30 BDEDHN C#C[C@@H](NCc1cccnc1)C1CCOCC1 ZINC000827570344 587389472 /nfs/dbraw/zinc/38/94/72/587389472.db2.gz MSZUXRQZWHQWCC-CQSZACIVSA-N 0 3 230.311 1.600 20 30 BDEDHN C#Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)nc1 ZINC000827629484 587393598 /nfs/dbraw/zinc/39/35/98/587393598.db2.gz KYVNQRASVAJIHS-CYBMUJFWSA-N 0 3 244.342 1.236 20 30 BDEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000827898316 587408202 /nfs/dbraw/zinc/40/82/02/587408202.db2.gz KNRJYCXOGAKGCF-CYBMUJFWSA-N 0 3 236.359 1.446 20 30 BDEDHN C#C[C@@H](NCC1=CCCC1)[C@H]1CCCO1 ZINC000828306908 587433600 /nfs/dbraw/zinc/43/36/00/587433600.db2.gz KACNRCJJTNHETB-CHWSQXEVSA-N 0 3 205.301 1.867 20 30 BDEDHN C=C(C)[C@H](CO)N1CC[C@H](C(F)(F)F)C1 ZINC000828528926 587447810 /nfs/dbraw/zinc/44/78/10/587447810.db2.gz DGWSOZOTHLIYAP-IUCAKERBSA-N 0 3 223.238 1.808 20 30 BDEDHN C#C[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000828858119 587467079 /nfs/dbraw/zinc/46/70/79/587467079.db2.gz PIVQPUIGGIXQIP-OCCSQVGLSA-N 0 3 248.370 1.921 20 30 BDEDHN CC(C#N)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829504290 587500603 /nfs/dbraw/zinc/50/06/03/587500603.db2.gz IYZPILOOXOGNTE-RNCFNFMXSA-N 0 3 239.278 1.301 20 30 BDEDHN C#CC1CCN(CCCC(=O)OCC)CC1 ZINC000830321295 587545903 /nfs/dbraw/zinc/54/59/03/587545903.db2.gz FSFAWGBLVXVUOG-UHFFFAOYSA-N 0 3 223.316 1.675 20 30 BDEDHN C=C(CN(C)C)C(=O)N(OC)[C@@H](C)CC ZINC000830474235 587553464 /nfs/dbraw/zinc/55/34/64/587553464.db2.gz KKQLGIQEQOZNDT-JTQLQIEISA-N 0 3 214.309 1.293 20 30 BDEDHN CC(C#N)C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000830847907 587573726 /nfs/dbraw/zinc/57/37/26/587573726.db2.gz CXJFZFMKCVEEJE-NXEZZACHSA-N 0 3 244.294 1.786 20 30 BDEDHN N#C[C@H]1CC[C@@H](N2CC[C@H]3COC(=O)N[C@@H]3C2)C1 ZINC000830910548 587577186 /nfs/dbraw/zinc/57/71/86/587577186.db2.gz SRQMHVRXGNKDNW-NNYUYHANSA-N 0 3 249.314 1.109 20 30 BDEDHN C=C(CN(C)C)C(=O)NCC1CCC(=C)CC1 ZINC000830994663 587579244 /nfs/dbraw/zinc/57/92/44/587579244.db2.gz QLUJKCIQDOHERE-UHFFFAOYSA-N 0 3 236.359 1.967 20 30 BDEDHN CC(C)C#CC(=O)N(C)CCN(C)C1CC1 ZINC000832335294 587655162 /nfs/dbraw/zinc/65/51/62/587655162.db2.gz ACUQGGBTHXJKFM-UHFFFAOYSA-N 0 3 222.332 1.198 20 30 BDEDHN C#C[C@H](N[C@@H](C)Cc1cnccn1)[C@@H]1CCCO1 ZINC000834770130 587766430 /nfs/dbraw/zinc/76/64/30/587766430.db2.gz SUPRFYSVALHFEJ-UBHSHLNASA-N 0 3 245.326 1.178 20 30 BDEDHN CC(=NNC1=NC[C@H](C)N1)c1csc(C)c1 ZINC000834970330 587774090 /nfs/dbraw/zinc/77/40/90/587774090.db2.gz MKKUBDUVVSZUTD-ZETCQYMHSA-N 0 3 236.344 1.718 20 30 BDEDHN Nc1ccc2c(c1)CCCC2=NN[C@H]1CCOC1 ZINC000834978785 587775347 /nfs/dbraw/zinc/77/53/47/587775347.db2.gz WBHIYKNHWJRLEF-LBPRGKRZSA-N 0 3 245.326 1.688 20 30 BDEDHN C=C(CN(C)C)C(=O)Nc1ccc2c(n1)CCC2 ZINC000837032178 587847924 /nfs/dbraw/zinc/84/79/24/587847924.db2.gz FXNNYNCPFFQGOB-UHFFFAOYSA-N 0 3 245.326 1.627 20 30 BDEDHN CCN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC000837316658 587865999 /nfs/dbraw/zinc/86/59/99/587865999.db2.gz IXEGKPXSTSQRIC-UHFFFAOYSA-N 0 3 236.359 1.636 20 30 BDEDHN CC(C)N1CCC(N(C)C(=O)C#CC2CC2)CC1 ZINC000837326274 587866453 /nfs/dbraw/zinc/86/64/53/587866453.db2.gz SFZQNKWLPVNMTR-UHFFFAOYSA-N 0 3 248.370 1.731 20 30 BDEDHN CC(C)[C@H](CN(C)C)NC(=O)C#CC(C)(C)C ZINC000837415630 587870976 /nfs/dbraw/zinc/87/09/76/587870976.db2.gz WNWZZXXFUGZNMG-LBPRGKRZSA-N 0 3 238.375 1.738 20 30 BDEDHN CC(C)[C@@H](CN(C)C)NC(=O)C#CC(C)(C)C ZINC000837415628 587871118 /nfs/dbraw/zinc/87/11/18/587871118.db2.gz WNWZZXXFUGZNMG-GFCCVEGCSA-N 0 3 238.375 1.738 20 30 BDEDHN CC(C)C[C@@H](CNC(=O)C#CC1CC1)N(C)C ZINC000837412360 587871238 /nfs/dbraw/zinc/87/12/38/587871238.db2.gz AWQFSJJQUBFDMS-ZDUSSCGKSA-N 0 3 236.359 1.492 20 30 BDEDHN CN1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000837415053 587871244 /nfs/dbraw/zinc/87/12/44/587871244.db2.gz MPWIBICHHSWEJC-LLVKDONJSA-N 0 3 222.332 1.246 20 30 BDEDHN C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)CN1C1CC1 ZINC000837461851 587874974 /nfs/dbraw/zinc/87/49/74/587874974.db2.gz LWJXYPDEFZSFRY-NEPJUHHUSA-N 0 3 248.370 1.777 20 30 BDEDHN CN1CC=C(CNC(=O)C#CC(C)(C)C)CC1 ZINC000837515383 587879243 /nfs/dbraw/zinc/87/92/43/587879243.db2.gz ZHTUMQZAULZIEE-UHFFFAOYSA-N 0 3 234.343 1.414 20 30 BDEDHN CN1C[C@H]2CCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC000837667634 587889387 /nfs/dbraw/zinc/88/93/87/587889387.db2.gz YOBVIRGGOQDHNI-NEPJUHHUSA-N 0 3 234.343 1.198 20 30 BDEDHN C=CCCCCOC(=O)C1CCCN(C)C1=O ZINC000837958312 587905826 /nfs/dbraw/zinc/90/58/26/587905826.db2.gz IXMBWISAFSFBAP-LLVKDONJSA-N 0 3 239.315 1.754 20 30 BDEDHN CC(=NNC1=NCCN1)c1sccc1C ZINC000841659481 587969640 /nfs/dbraw/zinc/96/96/40/587969640.db2.gz OXJVLLLBVSBHDH-UHFFFAOYSA-N 0 3 222.317 1.329 20 30 BDEDHN CC(=NN(C)[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000842544940 588039864 /nfs/dbraw/zinc/03/98/64/588039864.db2.gz XUSKZCYCQFHDKK-NSHDSACASA-N 0 3 249.358 1.789 20 30 BDEDHN C#C[C@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC000843966874 588152192 /nfs/dbraw/zinc/15/21/92/588152192.db2.gz HZBDWXAZCPTKSD-KBPBESRZSA-N 0 3 244.338 1.817 20 30 BDEDHN C#CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000844047859 588158113 /nfs/dbraw/zinc/15/81/13/588158113.db2.gz WXVPAQCICJZSMX-UHFFFAOYSA-N 0 3 234.343 1.343 20 30 BDEDHN C=CCCc1noc([C@H](N)CCN(C)C)n1 ZINC000844919092 588219184 /nfs/dbraw/zinc/21/91/84/588219184.db2.gz IDQFRMXDSWWWEP-SECBINFHSA-N 0 3 224.308 1.140 20 30 BDEDHN C=C[C@@H](C)ONC(=O)NC(C)(C)CN(C)C ZINC000845620420 588237050 /nfs/dbraw/zinc/23/70/50/588237050.db2.gz RJXBWPZOXKZRKH-SECBINFHSA-N 0 3 229.324 1.132 20 30 BDEDHN C=CC[C@@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000845971821 588252354 /nfs/dbraw/zinc/25/23/54/588252354.db2.gz FCMZZZZSJBBGHP-GHMZBOCLSA-N 0 3 220.320 1.650 20 30 BDEDHN C#CCOc1ccc(CN(C)[C@H](C)CCO)cc1 ZINC000846112762 588257178 /nfs/dbraw/zinc/25/71/78/588257178.db2.gz XSBMAJQLQINBLQ-CYBMUJFWSA-N 0 3 247.338 1.901 20 30 BDEDHN CC(C#N)C(=O)N[C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846414485 588265598 /nfs/dbraw/zinc/26/55/98/588265598.db2.gz ZZQGHCIJQNRVSD-UHIISALHSA-N 0 3 246.310 1.558 20 30 BDEDHN C=C(CN(C)C)C(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC000846430065 588265912 /nfs/dbraw/zinc/26/59/12/588265912.db2.gz AXKVJTBYHGSZBS-NWDGAFQWSA-N 0 3 240.347 1.130 20 30 BDEDHN CC(C#N)C(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846576449 588278191 /nfs/dbraw/zinc/27/81/91/588278191.db2.gz WAVBDDONTISJDA-WCBMZHEXSA-N 0 3 228.242 1.794 20 30 BDEDHN C=C1CCN(C(=O)c2cccc(CN)c2)CC1 ZINC000846683176 588282719 /nfs/dbraw/zinc/28/27/19/588282719.db2.gz FQTWTLVLZZVEHE-UHFFFAOYSA-N 0 3 230.311 1.938 20 30 BDEDHN C=CC1CCN(C[C@H]2CN(CC)C(=O)O2)CC1 ZINC000846803955 588289278 /nfs/dbraw/zinc/28/92/78/588289278.db2.gz USYFXZRQNYVLLE-LBPRGKRZSA-N 0 3 238.331 1.725 20 30 BDEDHN C=CCCN(C)C[C@H]1CN(CC)C(=O)O1 ZINC000846869873 588294465 /nfs/dbraw/zinc/29/44/65/588294465.db2.gz WZUQQSLFURGIJR-JTQLQIEISA-N 0 3 212.293 1.335 20 30 BDEDHN C=C[C@@H]1OCC[C@H]1NCC1(Br)CC1 ZINC000846962400 588298908 /nfs/dbraw/zinc/29/89/08/588298908.db2.gz ZRYWDGOTOQRLKB-BDAKNGLRSA-N 0 3 246.148 1.847 20 30 BDEDHN C#C[C@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000847021726 588302972 /nfs/dbraw/zinc/30/29/72/588302972.db2.gz OCGARVXVVMQALE-SOUVJXGZSA-N 0 3 248.370 1.195 20 30 BDEDHN C#C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000847024147 588303805 /nfs/dbraw/zinc/30/38/05/588303805.db2.gz HJJKOWZQSVZOQG-GFCCVEGCSA-N 0 3 200.285 1.927 20 30 BDEDHN C=CCOCC(=O)OC[C@@H](C)N1CCCCC1 ZINC000847959960 588345351 /nfs/dbraw/zinc/34/53/51/588345351.db2.gz KABPSNUTRMIQBY-GFCCVEGCSA-N 0 3 241.331 1.607 20 30 BDEDHN C#C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000848287551 588370986 /nfs/dbraw/zinc/37/09/86/588370986.db2.gz SKBDTFMTLHIJFR-UONOGXRCSA-N 0 3 248.370 1.733 20 30 BDEDHN c1cnnc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848407321 588378744 /nfs/dbraw/zinc/37/87/44/588378744.db2.gz YVGHLMBJWIFRED-GFCCVEGCSA-N 0 3 245.330 1.893 20 30 BDEDHN C=CCCCCCNC(=O)[C@@]1(F)CCNC1 ZINC000848431334 588384172 /nfs/dbraw/zinc/38/41/72/588384172.db2.gz IOQMMDSVYVCMCZ-GFCCVEGCSA-N 0 3 228.311 1.551 20 30 BDEDHN CCCCCCOCC(=O)C(C#N)C(=O)NC ZINC000107877274 588414194 /nfs/dbraw/zinc/41/41/94/588414194.db2.gz NQBPCINSFDCNSW-SNVBAGLBSA-N 0 3 240.303 1.038 20 30 BDEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000848923235 588421375 /nfs/dbraw/zinc/42/13/75/588421375.db2.gz HHCFTZGGUWVFNK-LLVKDONJSA-N 0 3 203.289 1.563 20 30 BDEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000848923236 588421456 /nfs/dbraw/zinc/42/14/56/588421456.db2.gz 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