smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2ccccc2c(=O)n1[C@H]1CCCCN1 ZINC000005387705 342763048 /nfs/dbraw/zinc/76/30/48/342763048.db2.gz CPKCFIKGHOZYLU-NSHDSACASA-N 0 3 245.282 0.962 40 0 BCABHN Cc1cc(N2CCNCC2)ncc1CCO ZINC000072223590 259321464 /nfs/dbraw/zinc/32/14/64/259321464.db2.gz QFZRRIDLWTZNFU-UHFFFAOYSA-N 0 3 221.304 0.334 40 0 BCABHN CCN1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000074707306 344008397 /nfs/dbraw/zinc/00/83/97/344008397.db2.gz ZXWBVLZQMUMQSV-UHFFFAOYSA-N 0 3 239.363 0.492 40 0 BCABHN COC(=O)[C@H]1CN(C)C[C@@H]1c1cccnc1 ZINC000217667888 398322684 /nfs/dbraw/zinc/32/26/84/398322684.db2.gz ZJAMBIPSBQWOSV-MNOVXSKESA-N 0 3 220.272 0.900 40 0 BCABHN Cc1ccnc(N(C)S(C)(=O)=O)c1CN ZINC000116707294 342935749 /nfs/dbraw/zinc/93/57/49/342935749.db2.gz JGUXOJRVADAIIG-UHFFFAOYSA-N 0 3 229.305 0.245 40 0 BCABHN COC(=O)C[C@@H](C)N1CCN(C)CC1 ZINC000035751317 349718907 /nfs/dbraw/zinc/71/89/07/349718907.db2.gz VOUMWRQYTPYQJK-SECBINFHSA-N 0 3 200.282 0.185 40 0 BCABHN C1CC1c1nsc(N2CCNCC2)n1 ZINC000083650257 259338650 /nfs/dbraw/zinc/33/86/50/259338650.db2.gz MFBNJGDIMGQLBI-UHFFFAOYSA-N 0 3 210.306 0.825 40 0 BCABHN COC(=O)C[C@H]1CN[C@@H]2CCCC[C@@H]2NC1=O ZINC000022126936 343040808 /nfs/dbraw/zinc/04/08/08/343040808.db2.gz LFPMYLXHLRBOCF-AEJSXWLSSA-N 0 3 240.303 0.196 40 0 BCABHN COc1ccc([C@H]([NH3+])C[C@H](N)C(=O)[O-])cc1 ZINC000259411633 343109688 /nfs/dbraw/zinc/10/96/88/343109688.db2.gz MFPGGPHTGGNYLI-ZJUUUORDSA-N 0 3 224.260 0.497 40 0 BCABHN COc1ccc([C@H](N)C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000259411633 343109690 /nfs/dbraw/zinc/10/96/90/343109690.db2.gz MFPGGPHTGGNYLI-ZJUUUORDSA-N 0 3 224.260 0.497 40 0 BCABHN COc1ccc([C@@H]([NH3+])C[C@H](N)C(=O)[O-])cc1 ZINC000259411623 343109997 /nfs/dbraw/zinc/10/99/97/343109997.db2.gz MFPGGPHTGGNYLI-UWVGGRQHSA-N 0 3 224.260 0.497 40 0 BCABHN COc1ccc([C@@H](N)C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000259411623 343109998 /nfs/dbraw/zinc/10/99/98/343109998.db2.gz MFPGGPHTGGNYLI-UWVGGRQHSA-N 0 3 224.260 0.497 40 0 BCABHN COC(=O)[C@@H]1CN(C(C)C)CC[C@H]1O ZINC000259510442 343134659 /nfs/dbraw/zinc/13/46/59/343134659.db2.gz BYDDANVFDJIXNR-RKDXNWHRSA-N 0 3 201.266 0.251 40 0 BCABHN COC(=O)[C@H]1CN(C(C)C)CC[C@H]1O ZINC000259510438 343134920 /nfs/dbraw/zinc/13/49/20/343134920.db2.gz BYDDANVFDJIXNR-DTWKUNHWSA-N 0 3 201.266 0.251 40 0 BCABHN CN(C)CCO[C@H]1OCN(C)CC1(C)C ZINC000031761362 343223874 /nfs/dbraw/zinc/22/38/74/343223874.db2.gz BGECJYXYCYDGBG-JTQLQIEISA-N 0 3 216.325 0.836 40 0 BCABHN CC(C)N(Cc1ccc(Cl)nn1)C(=O)CN ZINC000079435656 187263437 /nfs/dbraw/zinc/26/34/37/187263437.db2.gz HZGNYDPKJZMRMC-UHFFFAOYSA-N 0 3 242.710 0.826 40 0 BCABHN CC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079417588 187263441 /nfs/dbraw/zinc/26/34/41/187263441.db2.gz OVAZKZOJRVKSQT-GDPRMGEGSA-N 0 3 241.335 0.239 40 0 BCABHN C[C@H](N)C(=O)N1CCc2sccc2C1 ZINC000019517636 343773903 /nfs/dbraw/zinc/77/39/03/343773903.db2.gz DURQDVSZIQMHOE-ZETCQYMHSA-N 0 3 210.302 0.980 40 0 BCABHN C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1 ZINC000409427926 343802114 /nfs/dbraw/zinc/80/21/14/343802114.db2.gz LDFKSOUQVUOGHL-AXFHLTTASA-N 0 3 226.320 0.500 40 0 BCABHN Cn1ccc([C@@H]2CCCN(CC(=N)NO)C2)n1 ZINC000409427945 343802255 /nfs/dbraw/zinc/80/22/55/343802255.db2.gz LECIKFCJVOWIQN-SECBINFHSA-N 0 3 237.307 0.556 40 0 BCABHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1O ZINC000126902424 343787858 /nfs/dbraw/zinc/78/78/58/343787858.db2.gz MVXOZMYFRWUVNV-MXWKQRLJSA-N 0 3 226.320 0.358 40 0 BCABHN CCOC[C@H]1CCCCN1C(=O)[C@@H](C)N ZINC000313271337 343791133 /nfs/dbraw/zinc/79/11/33/343791133.db2.gz WCGTTWTVBYYDQV-NXEZZACHSA-N 0 3 214.309 0.751 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000220340670 343793198 /nfs/dbraw/zinc/79/31/98/343793198.db2.gz LOSBUJMYGZOACF-PHDIDXHHSA-N 0 3 210.199 0.744 40 0 BCABHN C[C@H](N)C(=O)N1CCC(C(F)F)CC1 ZINC000306273276 343797450 /nfs/dbraw/zinc/79/74/50/343797450.db2.gz YXVSNUSYFWBZKA-LURJTMIESA-N 0 3 206.236 0.837 40 0 BCABHN CNCC(=O)N1CCC[C@H](C(F)F)C1 ZINC000409426480 343797845 /nfs/dbraw/zinc/79/78/45/343797845.db2.gz IFFTUGJBPDDFHE-ZETCQYMHSA-N 0 3 206.236 0.710 40 0 BCABHN Cc1nn(CC(F)(F)F)c(=O)n1C1CNC1 ZINC000409426860 343799197 /nfs/dbraw/zinc/79/91/97/343799197.db2.gz SMUCSMHEAXNQAN-UHFFFAOYSA-N 0 3 236.197 0.060 40 0 BCABHN CCOC[C@H]1CN(CC(=N)NO)C[C@H]1C ZINC000409427034 343799396 /nfs/dbraw/zinc/79/93/96/343799396.db2.gz DOJHBPNEGKNDPI-RKDXNWHRSA-N 0 3 215.297 0.547 40 0 BCABHN N=C(CN1C[C@@H]2CCCC[C@@]2(CO)C1)NO ZINC000409427070 343799951 /nfs/dbraw/zinc/79/99/51/343799951.db2.gz DPJCYKBFVDWXJC-ONGXEEELSA-N 0 3 227.308 0.427 40 0 BCABHN N=C(CN1CC[C@@H](O)[C@@H](CC2CC2)C1)NO ZINC000409427384 343800527 /nfs/dbraw/zinc/80/05/27/343800527.db2.gz FBHMERMGCFMRHE-VHSXEESVSA-N 0 3 227.308 0.425 40 0 BCABHN COC[C@@H]1CN(CCO)C[C@H]1C(F)(F)F ZINC000409427441 343801141 /nfs/dbraw/zinc/80/11/41/343801141.db2.gz FGCUVEBBVUAAKL-JGVFFNPUSA-N 0 3 227.226 0.735 40 0 BCABHN O=C1N(CC(F)F)CCO[C@]12CCCNC2 ZINC000409427532 343801154 /nfs/dbraw/zinc/80/11/54/343801154.db2.gz WBQVRUFVITVRRK-JTQLQIEISA-N 0 3 234.246 0.233 40 0 BCABHN COC[C@H]1CN(CCO)C[C@@H]1C(F)(F)F ZINC000409427442 343801262 /nfs/dbraw/zinc/80/12/62/343801262.db2.gz FGCUVEBBVUAAKL-SFYZADRCSA-N 0 3 227.226 0.735 40 0 BCABHN CCN1CCC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409427750 343801826 /nfs/dbraw/zinc/80/18/26/343801826.db2.gz XPLVGKPQMULJQF-SNVBAGLBSA-N 0 3 222.292 0.823 40 0 BCABHN Cc1nn(CCN)c(=O)c2ccccc12 ZINC000409422980 343814204 /nfs/dbraw/zinc/81/42/04/343814204.db2.gz NKCZUIBKPMIARI-UHFFFAOYSA-N 0 3 203.245 0.664 40 0 BCABHN NCCn1ccn2nc(C(F)(F)F)cc2c1=O ZINC000409422945 343814418 /nfs/dbraw/zinc/81/44/18/343814418.db2.gz NCHPUDHJODSRIF-UHFFFAOYSA-N 0 3 246.192 0.474 40 0 BCABHN O=c1n(C2CNC2)cnn1C1CCCC1 ZINC000409423186 343814833 /nfs/dbraw/zinc/81/48/33/343814833.db2.gz AOMOOEBWLYYERR-UHFFFAOYSA-N 0 3 208.265 0.304 40 0 BCABHN COC(=O)[C@@H]1CN(CC2CC2)CC[C@H]1O ZINC000409423752 343815907 /nfs/dbraw/zinc/81/59/07/343815907.db2.gz USQIXVGBMPVIKR-NXEZZACHSA-N 0 3 213.277 0.252 40 0 BCABHN O=Cc1cn(C[C@H]2CCCN2CC2CC2)nn1 ZINC000409424183 343817155 /nfs/dbraw/zinc/81/71/55/343817155.db2.gz FMVYCWDCMAWCRB-GFCCVEGCSA-N 0 3 234.303 0.965 40 0 BCABHN COc1cccc(C(=O)CN2CC(N)C2)c1 ZINC000409424861 343817870 /nfs/dbraw/zinc/81/78/70/343817870.db2.gz ZBNRLKRIPUNSDD-UHFFFAOYSA-N 0 3 220.272 0.521 40 0 BCABHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@H]1CO ZINC000409425164 343818773 /nfs/dbraw/zinc/81/87/73/343818773.db2.gz FIBAMPMNIFUWJG-GMTAPVOTSA-N 0 3 226.320 0.215 40 0 BCABHN N=C(CN1C[C@@H]2CCC[C@]2(CO)C1)NO ZINC000409425301 343818786 /nfs/dbraw/zinc/81/87/86/343818786.db2.gz AGLSUZHNZSYANS-WCBMZHEXSA-N 0 3 213.281 0.037 40 0 BCABHN CNCC(=O)N1C[C@H]2CCCC[C@@]2(COC)C1 ZINC000409425714 343820155 /nfs/dbraw/zinc/82/01/55/343820155.db2.gz BDYYKHLLAJAWSV-YPMHNXCESA-N 0 3 240.347 0.871 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@@H](C(F)F)C1 ZINC000409431832 343822889 /nfs/dbraw/zinc/82/28/89/343822889.db2.gz TUVQUASXTSFLTB-RNFRBKRXSA-N 0 3 206.236 0.837 40 0 BCABHN CCOCC1CCN(CC(=N)NO)CC1 ZINC000409431811 343823201 /nfs/dbraw/zinc/82/32/01/343823201.db2.gz SVGQODIKGDXFMK-UHFFFAOYSA-N 0 3 215.297 0.691 40 0 BCABHN CNCC(=O)N1CCc2c1cccc2OC ZINC000409432250 343825713 /nfs/dbraw/zinc/82/57/13/343825713.db2.gz VCCOWUUNYGIVLV-UHFFFAOYSA-N 0 3 220.272 0.804 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CNC)CC12CCC2 ZINC000409428602 343804284 /nfs/dbraw/zinc/80/42/84/343804284.db2.gz GTPRVKKUBVUPIK-NSHDSACASA-N 0 3 240.347 0.871 40 0 BCABHN COC[C@@H]1CN(CC(=N)NO)C[C@H]1C ZINC000409429187 343805073 /nfs/dbraw/zinc/80/50/73/343805073.db2.gz OBZHUIZZQIPULA-SFYZADRCSA-N 0 3 201.270 0.157 40 0 BCABHN Cn1ccc(C2CCN(CC(=N)NO)CC2)n1 ZINC000409430635 343808737 /nfs/dbraw/zinc/80/87/37/343808737.db2.gz QYFXCBDYBFNMHG-UHFFFAOYSA-N 0 3 237.307 0.556 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@H]2CCC[C@H]21 ZINC000409430670 343808788 /nfs/dbraw/zinc/80/87/88/343808788.db2.gz WMRPHXHGNYTAJZ-IVZWLZJFSA-N 0 3 212.293 0.361 40 0 BCABHN CC1(CO)CCN(CC(=N)NO)CC1 ZINC000402904036 343811435 /nfs/dbraw/zinc/81/14/35/343811435.db2.gz ALPPDGMYMSKWKT-UHFFFAOYSA-N 0 3 201.270 0.037 40 0 BCABHN CC1(CO)CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000403049745 343811441 /nfs/dbraw/zinc/81/14/41/343811441.db2.gz YAOUVWDUVWSFEL-LLVKDONJSA-N 0 3 240.347 0.750 40 0 BCABHN CCN(C(=O)CNC)[C@@H]1CCSC1 ZINC000409435370 343833299 /nfs/dbraw/zinc/83/32/99/343833299.db2.gz UHISLBNXOXNOHU-MRVPVSSYSA-N 0 3 202.323 0.560 40 0 BCABHN CO[C@H]1CCO[C@]2(CCN(CCO)C2)C1 ZINC000409435056 343835779 /nfs/dbraw/zinc/83/57/79/343835779.db2.gz SCTJRWBKJZWMRO-WDEREUQCSA-N 0 3 215.293 0.249 40 0 BCABHN CNCC(=O)N1C[C@H](COC)C2(CCCC2)C1 ZINC000409436239 343838027 /nfs/dbraw/zinc/83/80/27/343838027.db2.gz YUVHBZKIBMELMJ-LLVKDONJSA-N 0 3 240.347 0.871 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409436224 343838032 /nfs/dbraw/zinc/83/80/32/343838032.db2.gz YTLQDLMHRSKIDT-JQWIXIFHSA-N 0 3 226.320 0.217 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCN(C(=O)[C@H](C)N)C2)C1 ZINC000409436221 343838192 /nfs/dbraw/zinc/83/81/92/343838192.db2.gz YSXYCFGDHWPYDS-UMNHJUIQSA-N 0 3 242.319 0.130 40 0 BCABHN CNCC(=O)N1C[C@H](COC)C(C)(C)C1 ZINC000409435762 343839863 /nfs/dbraw/zinc/83/98/63/343839863.db2.gz WLDXQOVEEXIQKZ-SECBINFHSA-N 0 3 214.309 0.337 40 0 BCABHN CN(C)[C@H](CN)c1ccc(N2CCOCC2)o1 ZINC000409437693 343848328 /nfs/dbraw/zinc/84/83/28/343848328.db2.gz ATYONGGWGLKPTH-SNVBAGLBSA-N 0 3 239.319 0.678 40 0 BCABHN COc1cccc([C@H]2C[C@@H](N)C(=O)N2C)c1 ZINC000409441584 343860270 /nfs/dbraw/zinc/86/02/70/343860270.db2.gz PVNAVGURKYOJKH-GHMZBOCLSA-N 0 3 220.272 0.926 40 0 BCABHN CN(C)c1ccc([C@H](CN)N2CCOCC2)o1 ZINC000409441678 343860567 /nfs/dbraw/zinc/86/05/67/343860567.db2.gz QMARJPLJPFDMQP-JTQLQIEISA-N 0 3 239.319 0.678 40 0 BCABHN COc1ccc([C@@H]2C[C@@H](N)C(=O)N2C)cc1 ZINC000409442592 343861200 /nfs/dbraw/zinc/86/12/00/343861200.db2.gz XUWGFKWZAXGEAN-MNOVXSKESA-N 0 3 220.272 0.926 40 0 BCABHN CNCC(=O)N1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000585181405 344278049 /nfs/dbraw/zinc/27/80/49/344278049.db2.gz BVBALXBXPKGYRG-VIFPVBQESA-N 0 3 222.292 0.253 40 0 BCABHN COc1cccc2c1N(C)C[C@@H](N)[C@H]2O ZINC000242701949 345156951 /nfs/dbraw/zinc/15/69/51/345156951.db2.gz WUOISILEUNPSRB-KCJUWKMLSA-N 0 3 208.261 0.506 40 0 BCABHN CC(C)n1nc2c(c1CN)CS(=O)(=O)CC2 ZINC000258189869 345780786 /nfs/dbraw/zinc/78/07/86/345780786.db2.gz HWFRBSCKHGAEPS-UHFFFAOYSA-N 0 3 243.332 0.394 40 0 BCABHN Cc1noc(C)c1CC(=O)N1CC(N)C1 ZINC000083635127 345919309 /nfs/dbraw/zinc/91/93/09/345919309.db2.gz VQANXNAPZVDMDU-UHFFFAOYSA-N 0 3 209.249 0.003 40 0 BCABHN CCOC[C@H]1CCCN(C(=O)CN)C1 ZINC000083887803 345920747 /nfs/dbraw/zinc/92/07/47/345920747.db2.gz WEJOEYONSDQBIV-VIFPVBQESA-N 0 3 200.282 0.220 40 0 BCABHN Cc1ccc2cc(CNCCO)c(=O)[nH]c2c1 ZINC000002597377 346219775 /nfs/dbraw/zinc/21/97/75/346219775.db2.gz IBXYEQAUKJBWRZ-UHFFFAOYSA-N 0 3 232.283 0.918 40 0 BCABHN Cc1cccc(N2CC[C@@H](CN)S2(=O)=O)c1 ZINC000222539911 179122453 /nfs/dbraw/zinc/12/24/53/179122453.db2.gz YLBCVWKFHGONSJ-NSHDSACASA-N 0 3 240.328 0.862 40 0 BCABHN Cc1cccc([C@]2(C(N)=O)CCCN2)n1 ZINC000072344389 179204793 /nfs/dbraw/zinc/20/47/93/179204793.db2.gz NRPSMCNWPWTUSX-NSHDSACASA-N 0 3 205.261 0.454 40 0 BCABHN Cc1nc([C@H]2CCCN2)ncc1C(N)=O ZINC000019686370 180055570 /nfs/dbraw/zinc/05/55/70/180055570.db2.gz XDUNQNPOMSDPJV-MRVPVSSYSA-N 0 3 206.249 0.308 40 0 BCABHN C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000409425206 350475724 /nfs/dbraw/zinc/47/57/24/350475724.db2.gz FKRIKPGIOWNFJL-TUAOUCFPSA-N 0 3 240.347 0.748 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409428157 350476884 /nfs/dbraw/zinc/47/68/84/350476884.db2.gz FZVNFXVZGPERIJ-XPUUQOCRSA-N 0 3 240.225 0.107 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@@H](C)N)CC12CCC2 ZINC000409435446 350479011 /nfs/dbraw/zinc/47/90/11/350479011.db2.gz URZIAPGPVUMOOZ-MNOVXSKESA-N 0 3 240.347 0.999 40 0 BCABHN C(O[C@@H]1CC[C@@H]2NCCO[C@@H]12)C1CCOCC1 ZINC000306140763 188045546 /nfs/dbraw/zinc/04/55/46/188045546.db2.gz VDLYNYFJCXGXTD-YNEHKIRRSA-N 0 3 241.331 0.949 40 0 BCABHN CC(C)N(Cc1cccnc1)C(=O)CN ZINC000037822179 188288157 /nfs/dbraw/zinc/28/81/57/188288157.db2.gz IRUJEOUDGCIEDY-UHFFFAOYSA-N 0 3 207.277 0.777 40 0 BCABHN CC(=O)N(C1CC1)C1CCN(CCO)CC1 ZINC000079416578 188291471 /nfs/dbraw/zinc/29/14/71/188291471.db2.gz WFEHHKDPHDWWSM-UHFFFAOYSA-N 0 3 226.320 0.454 40 0 BCABHN CC(=O)N1CC[C@@H](N(CCO)C2CC2)C1 ZINC000079405459 188292128 /nfs/dbraw/zinc/29/21/28/188292128.db2.gz NKSBJISOMADKDY-LLVKDONJSA-N 0 3 212.293 0.064 40 0 BCABHN CC(C)(C)OC(=O)N1CCCN[C@H](CO)C1 ZINC000044560025 188296172 /nfs/dbraw/zinc/29/61/72/188296172.db2.gz QZEXEMCTCCKSDQ-VIFPVBQESA-N 0 3 230.308 0.578 40 0 BCABHN C(OCC1CC1)c1nnn2c1CNCCC2 ZINC000306134913 188398709 /nfs/dbraw/zinc/39/87/09/188398709.db2.gz OBMYLESKDKREAU-UHFFFAOYSA-N 0 3 222.292 0.698 40 0 BCABHN N[C@H](CO)c1ccc(Br)nc1 ZINC000095636544 259454113 /nfs/dbraw/zinc/45/41/13/259454113.db2.gz VDJFRGHSYONBMS-ZCFIWIBFSA-N 0 3 217.066 0.836 40 0 BCABHN CCOC(=O)N1CC[C@](C)(O)[C@H](N(C)C)C1 ZINC000685936032 538757341 /nfs/dbraw/zinc/75/73/41/538757341.db2.gz AUNAKCLQFUKSED-KOLCDFICSA-N 0 3 230.308 0.530 40 0 BCABHN NCC(=O)NCc1ccc(Br)nc1 ZINC000079421519 181353006 /nfs/dbraw/zinc/35/30/06/181353006.db2.gz HYWLGJILRUMHAR-UHFFFAOYSA-N 0 3 244.092 0.419 40 0 BCABHN O=S1(=O)CCC[C@]2(CCCCN2)C1 ZINC000075128352 368336503 /nfs/dbraw/zinc/33/65/03/368336503.db2.gz ZWBOZCNQTBOOSI-SECBINFHSA-N 0 3 203.307 0.707 40 0 BCABHN O[C@@H]1CN[C@H](c2nc3ccccc3[nH]2)C1 ZINC000252499888 370062536 /nfs/dbraw/zinc/06/25/36/370062536.db2.gz SICQIBMMRVDSMK-XVKPBYJWSA-N 0 3 203.245 0.958 40 0 BCABHN N[C@@H](c1nc(CO)n[nH]1)c1ccccc1 ZINC000095533489 181632982 /nfs/dbraw/zinc/63/29/82/181632982.db2.gz FIEOVZLHPKHNLQ-SECBINFHSA-N 0 3 204.233 0.345 40 0 BCABHN O=C(NC1CCC1)[C@H]1CNC[C@H]2OCC[C@H]21 ZINC000306139308 182104780 /nfs/dbraw/zinc/10/47/80/182104780.db2.gz SUJDQLSPDQYNJF-GARJFASQSA-N 0 3 224.304 0.280 40 0 BCABHN O=S1(=O)Nc2ccccc2CN1C1CNC1 ZINC000083351159 182916081 /nfs/dbraw/zinc/91/60/81/182916081.db2.gz MXACFZGAZFXZBD-UHFFFAOYSA-N 0 3 239.300 0.131 40 0 BCABHN OCCN1c2ccccc2N2CCN=C12 ZINC000100546152 183071597 /nfs/dbraw/zinc/07/15/97/183071597.db2.gz WINIWKMBVOTZMU-UHFFFAOYSA-N 0 3 203.245 0.675 40 0 BCABHN OC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000040571797 183129173 /nfs/dbraw/zinc/12/91/73/183129173.db2.gz JSZNWUQCOLGFNL-RYUDHWBXSA-N 0 3 207.273 0.614 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H](CO)C2(C1)CCCCC2 ZINC000409435288 383836289 /nfs/dbraw/zinc/83/62/89/383836289.db2.gz UBMISYHOOJPEQI-WDEREUQCSA-N 0 3 240.347 0.735 40 0 BCABHN CO[C@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409435296 383837251 /nfs/dbraw/zinc/83/72/51/383837251.db2.gz UBXIKXOHJGHSGL-SSDOTTSWSA-N 0 3 226.198 0.125 40 0 BCABHN CO[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](C)N)C1 ZINC000409435315 383834605 /nfs/dbraw/zinc/83/46/05/383834605.db2.gz UCQCPEAJPRMJPA-XPUUQOCRSA-N 0 3 240.225 0.513 40 0 BCABHN CN(C)C[C@H]1CC(=O)[C@@H](CN(C)C)CC1=O ZINC000001717765 383928812 /nfs/dbraw/zinc/92/88/12/383928812.db2.gz QINBNIQHVSHFQT-NXEZZACHSA-N 0 3 226.320 0.274 40 0 BCABHN COC(=O)c1cc([O-])c2scc(C)[n+]2n1 ZINC000005504179 384118273 /nfs/dbraw/zinc/11/82/73/384118273.db2.gz WENQLMXZPVAFJF-UHFFFAOYSA-O 0 3 225.249 0.270 40 0 BCABHN O=C1N[C@@]2(CCCNC2)N=C1c1ccccc1 ZINC000070451576 384108035 /nfs/dbraw/zinc/10/80/35/384108035.db2.gz IDQAYSKKSSLSOO-CYBMUJFWSA-N 0 3 229.283 0.685 40 0 BCABHN O=C1N[C@]2(CCCNC2)N=C1c1ccccc1 ZINC000070451575 384108681 /nfs/dbraw/zinc/10/86/81/384108681.db2.gz IDQAYSKKSSLSOO-ZDUSSCGKSA-N 0 3 229.283 0.685 40 0 BCABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(C)C1 ZINC000079407557 384136131 /nfs/dbraw/zinc/13/61/31/384136131.db2.gz VDXPIBBHZUJSPU-QWRGUYRKSA-N 0 3 227.352 0.522 40 0 BCABHN COC[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392067 384132563 /nfs/dbraw/zinc/13/25/63/384132563.db2.gz BJILOFZKZCZKDQ-QWRGUYRKSA-N 0 3 228.336 0.855 40 0 BCABHN C[C@H](c1cnccn1)N(C(=O)[C@H](C)N)C1CC1 ZINC000079435817 384146738 /nfs/dbraw/zinc/14/67/38/384146738.db2.gz FQTNOJRFLSCMTJ-DTWKUNHWSA-N 0 3 234.303 0.876 40 0 BCABHN CC(C)N(Cc1nccnc1Cl)C(=O)CN ZINC000079435541 384146766 /nfs/dbraw/zinc/14/67/66/384146766.db2.gz UMSVNNFJUQTCNV-UHFFFAOYSA-N 0 3 242.710 0.826 40 0 BCABHN CC(C)N(Cc1cncs1)C(=O)CN ZINC000079422152 384146881 /nfs/dbraw/zinc/14/68/81/384146881.db2.gz AYPKINUFUTUGCR-UHFFFAOYSA-N 0 3 213.306 0.839 40 0 BCABHN CC(=O)N(C)C[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417574 384139345 /nfs/dbraw/zinc/13/93/45/384139345.db2.gz LQXLOSQGZNPURW-GXSJLCMTSA-N 0 3 241.335 0.051 40 0 BCABHN CC(=O)N(C(C)C)C1CCN(CCO)CC1 ZINC000079416515 384139418 /nfs/dbraw/zinc/13/94/18/384139418.db2.gz JNGHBZBMABQYFK-UHFFFAOYSA-N 0 3 228.336 0.700 40 0 BCABHN CC(=O)N(C(C)C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079417365 384139687 /nfs/dbraw/zinc/13/96/87/384139687.db2.gz YYQZPUKTLIRTNY-NSHDSACASA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C[C@@H]1CCN(CCO)C1)C(C)C ZINC000079416500 384139705 /nfs/dbraw/zinc/13/97/05/384139705.db2.gz CQMUSBWYYIBFFA-GFCCVEGCSA-N 0 3 228.336 0.558 40 0 BCABHN CC(=O)NC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000079417839 384139989 /nfs/dbraw/zinc/13/99/89/384139989.db2.gz ASNOEQHIGQQUMO-NSHDSACASA-N 0 3 241.335 0.097 40 0 BCABHN CSc1ccc(CNC(=O)CN)cc1 ZINC000079420501 384142840 /nfs/dbraw/zinc/14/28/40/384142840.db2.gz GNIDBQGJWLWFIQ-UHFFFAOYSA-N 0 3 210.302 0.983 40 0 BCABHN C[N@H+](C[C@H]1CCN(CC(=O)[O-])C1)C1CC1 ZINC000079419780 384144836 /nfs/dbraw/zinc/14/48/36/384144836.db2.gz LHSFHHQBDTZITQ-SECBINFHSA-N 0 3 212.293 0.487 40 0 BCABHN C[N@@H+](C[C@H]1CCN(CC(=O)[O-])C1)C1CC1 ZINC000079419780 384144840 /nfs/dbraw/zinc/14/48/40/384144840.db2.gz LHSFHHQBDTZITQ-SECBINFHSA-N 0 3 212.293 0.487 40 0 BCABHN CC[C@H](N)Cn1nnn(-c2ccccc2)c1=O ZINC000006747051 384167349 /nfs/dbraw/zinc/16/73/49/384167349.db2.gz DHTTXCVWSJHVKU-VIFPVBQESA-N 0 3 233.275 0.166 40 0 BCABHN CC(C)(C)OC(=O)[C@@H](O)[C@H]1CCCCN1 ZINC000072338674 384207292 /nfs/dbraw/zinc/20/72/92/384207292.db2.gz BBWPENHUNUJQKV-BDAKNGLRSA-N 0 3 215.293 0.831 40 0 BCABHN C[C@]1(C(N)=O)CN(CC2CCC2)CCO1 ZINC000072379911 384217620 /nfs/dbraw/zinc/21/76/20/384217620.db2.gz PPPYRPLFBYGQRR-LLVKDONJSA-N 0 3 212.293 0.363 40 0 BCABHN Cn1nccc1CC1CCN(C(=O)CN)CC1 ZINC000072383400 384218756 /nfs/dbraw/zinc/21/87/56/384218756.db2.gz CORUVORHOZZPLV-UHFFFAOYSA-N 0 3 236.319 0.160 40 0 BCABHN Cc1nn(C)cc1CN1CCC[C@@H](CO)C1 ZINC000072397787 384221475 /nfs/dbraw/zinc/22/14/75/384221475.db2.gz GIHDFKDBCMZBHK-LLVKDONJSA-N 0 3 223.320 0.933 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](N)C1 ZINC000075629657 384332694 /nfs/dbraw/zinc/33/26/94/384332694.db2.gz LUQURLQDYAJECW-SFYZADRCSA-N 0 3 216.281 0.315 40 0 BCABHN COC(=O)[C@@H]1C[C@@H]2Cc3nc[nH]c3CN2C1 ZINC000095828949 384399824 /nfs/dbraw/zinc/39/98/24/384399824.db2.gz GREJYKDLWQHLEN-HTQZYQBOSA-N 0 3 221.260 0.329 40 0 BCABHN COC(=O)[C@@H]1C[C@H]2Cc3nc[nH]c3CN2C1 ZINC000095828951 384400590 /nfs/dbraw/zinc/40/05/90/384400590.db2.gz GREJYKDLWQHLEN-SFYZADRCSA-N 0 3 221.260 0.329 40 0 BCABHN COC(=O)[C@H]1C[C@@H]2Cc3nc[nH]c3CN2C1 ZINC000095828950 384401039 /nfs/dbraw/zinc/40/10/39/384401039.db2.gz GREJYKDLWQHLEN-JGVFFNPUSA-N 0 3 221.260 0.329 40 0 BCABHN CC(=O)N[C@H]1[C@H](c2ccccc2)NCC[C@@]1(C)O ZINC000514288973 384404071 /nfs/dbraw/zinc/40/40/71/384404071.db2.gz DOUYAITWWJVIAL-MELADBBJSA-N 0 3 248.326 0.977 40 0 biogenic,in-vitro BCABHN CN[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000035316462 384407203 /nfs/dbraw/zinc/40/72/03/384407203.db2.gz ZIIIPKGHVZKYCQ-SECBINFHSA-N 0 3 210.277 0.666 40 0 BCABHN c1cn(C[C@@H]2CC[C@@H]3NCCO[C@@H]23)cn1 ZINC000107257560 384389649 /nfs/dbraw/zinc/38/96/49/384389649.db2.gz AIMYDOCETLBOBD-DCAQKATOSA-N 0 3 207.277 0.650 40 0 BCABHN O=C([C@H]1CCCO1)N1CC2(C1)CCCCN2 ZINC000096050992 384429457 /nfs/dbraw/zinc/42/94/57/384429457.db2.gz WZURRHGNQNJETM-SNVBAGLBSA-N 0 3 224.304 0.520 40 0 BCABHN O=C([C@H]1CCC2(CNC2)O1)N1CCCC1 ZINC000096078047 384432001 /nfs/dbraw/zinc/43/20/01/384432001.db2.gz PLACEVUJVAWPLW-SECBINFHSA-N 0 3 210.277 0.130 40 0 BCABHN CCN(CC)CCNCc1ccn(C)n1 ZINC000096524390 384463585 /nfs/dbraw/zinc/46/35/85/384463585.db2.gz PLZAPBOSDUJBRX-UHFFFAOYSA-N 0 3 210.325 0.852 40 0 BCABHN c1cnn(Cc2ncn3c2CNCCC3)c1 ZINC000101186216 384665840 /nfs/dbraw/zinc/66/58/40/384665840.db2.gz QMGFSNGRPDOTBA-UHFFFAOYSA-N 0 3 217.276 0.621 40 0 BCABHN COC[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000081061162 384733702 /nfs/dbraw/zinc/73/37/02/384733702.db2.gz KRBDHLQKEPUKGX-QWRGUYRKSA-N 0 3 226.320 0.623 40 0 BCABHN COCCNCc1cnc(SC)nc1 ZINC000062717235 385035683 /nfs/dbraw/zinc/03/56/83/385035683.db2.gz LTFGVPOBAAIGKZ-UHFFFAOYSA-N 0 3 213.306 0.935 40 0 BCABHN CCCNCc1cnc(N2CCOCC2)nc1 ZINC000048326619 385187653 /nfs/dbraw/zinc/18/76/53/385187653.db2.gz PPVKJMQZGJDPJC-UHFFFAOYSA-N 0 3 236.319 0.813 40 0 BCABHN NCCn1ccn(Cc2ccccc2)c(=O)c1=O ZINC000096517318 385255864 /nfs/dbraw/zinc/25/58/64/385255864.db2.gz DEAMBGRVHHUTLG-UHFFFAOYSA-N 0 3 245.282 0.017 40 0 BCABHN Cc1n[nH]c(C)c1CN1CC[C@H](CO)C1 ZINC000127241667 385317572 /nfs/dbraw/zinc/31/75/72/385317572.db2.gz DJZWCPMXNQYJMI-JTQLQIEISA-N 0 3 209.293 0.841 40 0 BCABHN Cn1c(=O)c2c(nc1N1CCCC1)CCNC2 ZINC000096516463 385258371 /nfs/dbraw/zinc/25/83/71/385258371.db2.gz FIMFLJWDSJLUEX-UHFFFAOYSA-N 0 3 234.303 0.026 40 0 BCABHN O=C(c1[nH]nc2c1CNC2)N1CCCC1 ZINC000096516095 385258778 /nfs/dbraw/zinc/25/87/78/385258778.db2.gz LXHHHRGJPZABDU-UHFFFAOYSA-N 0 3 206.249 0.249 40 0 BCABHN O=c1c2c(ncn1Cc1cccnc1)CCNC2 ZINC000096516473 385258983 /nfs/dbraw/zinc/25/89/83/385258983.db2.gz FGQMUSCYHZWRFP-UHFFFAOYSA-N 0 3 242.282 0.332 40 0 BCABHN Cn1c(N2CCC[C@@H](N)C2)nc2c(c1=O)CCC2 ZINC000096516822 385260783 /nfs/dbraw/zinc/26/07/83/385260783.db2.gz MCJJFNUCZZJOJK-SECBINFHSA-N 0 3 248.330 0.197 40 0 BCABHN C[C@@H](O)C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000157777073 385323236 /nfs/dbraw/zinc/32/32/36/385323236.db2.gz IWNQQQJVRACCMX-PWSUYJOCSA-N 0 3 240.347 0.748 40 0 BCABHN CO[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000234804030 385325111 /nfs/dbraw/zinc/32/51/11/385325111.db2.gz FPZQKYUOJPOXNB-VHSXEESVSA-N 0 3 212.293 0.376 40 0 BCABHN c1ccc(OC[C@H]2CCOC23CNC3)nc1 ZINC000253596795 385686752 /nfs/dbraw/zinc/68/67/52/385686752.db2.gz VZTYTJHJMSFNOH-SNVBAGLBSA-N 0 3 220.272 0.839 40 0 BCABHN CSc1ncc(CNC[C@@H](C)O)cn1 ZINC000062717263 385710765 /nfs/dbraw/zinc/71/07/65/385710765.db2.gz MWYSWLBSNPNBBL-SSDOTTSWSA-N 0 3 213.306 0.669 40 0 BCABHN CNc1ncc(CNC(C)(C)CO)cn1 ZINC000062717432 385713298 /nfs/dbraw/zinc/71/32/98/385713298.db2.gz QBCYTUFYENYKSB-UHFFFAOYSA-N 0 3 210.281 0.379 40 0 BCABHN CC[C@H](CO)NCc1cnc(NC)nc1 ZINC000062717441 385715502 /nfs/dbraw/zinc/71/55/02/385715502.db2.gz XDVZJQBVLDVZGS-SECBINFHSA-N 0 3 210.281 0.379 40 0 BCABHN Cc1c[nH]c([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000257304598 385760368 /nfs/dbraw/zinc/76/03/68/385760368.db2.gz SMIZREMUKJDQKA-SECBINFHSA-N 0 3 222.292 0.383 40 0 BCABHN CN(C)C[C@]1(O)CCN(C(=O)C(C)(C)C)C1 ZINC000257304122 385760739 /nfs/dbraw/zinc/76/07/39/385760739.db2.gz SKDYEMYLAKNOLO-GFCCVEGCSA-N 0 3 228.336 0.558 40 0 BCABHN O=S1(=O)CCCC[C@]12CCCNC2 ZINC000306145716 385994809 /nfs/dbraw/zinc/99/48/09/385994809.db2.gz OLYLXZHFWVZECW-SECBINFHSA-N 0 3 203.307 0.707 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1O ZINC000084249534 386245148 /nfs/dbraw/zinc/24/51/48/386245148.db2.gz REUNVCLBHFFYFH-JGVFFNPUSA-N 0 3 216.281 0.234 40 0 BCABHN NCc1cc(OC2CCOCC2)ncn1 ZINC000098214046 386583086 /nfs/dbraw/zinc/58/30/86/386583086.db2.gz ZUPVYNXXNRNMIM-UHFFFAOYSA-N 0 3 209.249 0.493 40 0 BCABHN CN1CCN(c2ccncc2CN)CC1 ZINC000088114682 386826207 /nfs/dbraw/zinc/82/62/07/386826207.db2.gz IQQDKPASLWCQGD-UHFFFAOYSA-N 0 3 206.293 0.292 40 0 BCABHN COCCn1cc2c(n1)[C@H](CN)OCC2 ZINC000096044330 387013394 /nfs/dbraw/zinc/01/33/94/387013394.db2.gz ZZIHBRQPYJIBCC-VIFPVBQESA-N 0 3 211.265 0.102 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@@H]2NCCO[C@H]2C1 ZINC000091302538 387206829 /nfs/dbraw/zinc/20/68/29/387206829.db2.gz COJUSTWUQICURS-UWVGGRQHSA-N 0 3 242.319 0.984 40 0 BCABHN O=S(=O)([N-]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000053254942 387554826 /nfs/dbraw/zinc/55/48/26/387554826.db2.gz JAOFDXGCKCBOBL-MRVPVSSYSA-N 0 3 246.357 0.778 40 0 BCABHN CN1CC[C@H](O)[C@H](Cc2ccncc2)C1 ZINC000242538967 387684249 /nfs/dbraw/zinc/68/42/49/387684249.db2.gz JKERHQVRJCSDMC-NEPJUHHUSA-N 0 3 206.289 0.937 40 0 BCABHN CCOC[C@H]1CCCN(C(=O)CNC)C1 ZINC000236976226 387912816 /nfs/dbraw/zinc/91/28/16/387912816.db2.gz PTHQXCAXFJVEAV-JTQLQIEISA-N 0 3 214.309 0.481 40 0 BCABHN CCOC[C@@H]1CCCN(C(=O)CNC)C1 ZINC000236967675 387914563 /nfs/dbraw/zinc/91/45/63/387914563.db2.gz PTHQXCAXFJVEAV-SNVBAGLBSA-N 0 3 214.309 0.481 40 0 BCABHN Cc1ccc(S(=O)(=O)[C@H]2C[C@@]2(N)CN)cc1 ZINC000217989219 388384859 /nfs/dbraw/zinc/38/48/59/388384859.db2.gz NUYWZGSLCCTQKJ-WDEREUQCSA-N 0 3 240.328 0.197 40 0 BCABHN NC[C@@]1(CO)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977076 388385084 /nfs/dbraw/zinc/38/50/84/388385084.db2.gz QXNCMDUPYYDHTH-GHMZBOCLSA-N 0 3 241.312 0.170 40 0 BCABHN NCc1ccc2c(n1)C[C@@H]1CCO[C@H]1O2 ZINC000242592422 388399775 /nfs/dbraw/zinc/39/97/75/388399775.db2.gz OUBNTMJOKADXAZ-CPCISQLKSA-N 0 3 206.245 0.838 40 0 BCABHN CN1C[C@@H]2c3ccccc3N[C@H]2[C@@H](O)C1 ZINC000245239704 388624248 /nfs/dbraw/zinc/62/42/48/388624248.db2.gz LZVSIYWYYWXNDN-ADEWGFFLSA-N 0 3 204.273 0.871 40 0 BCABHN CCNc1ncc(CNC[C@@H](C)O)cn1 ZINC000062717579 388656026 /nfs/dbraw/zinc/65/60/26/388656026.db2.gz AZRCINNUMCHKMH-MRVPVSSYSA-N 0 3 210.281 0.379 40 0 BCABHN CC(C)Nc1ncc(CNCCCO)cn1 ZINC000062717653 388656108 /nfs/dbraw/zinc/65/61/08/388656108.db2.gz XGUGZHRYYQCNQL-UHFFFAOYSA-N 0 3 224.308 0.769 40 0 BCABHN C[C@H]1CN(c2cc(NC3CC3)ncn2)CCN1 ZINC000079439505 388695692 /nfs/dbraw/zinc/69/56/92/388695692.db2.gz PSADSZVRLJWYRX-VIFPVBQESA-N 0 3 233.319 0.849 40 0 BCABHN COc1cc(N2CCN[C@@H](C)C2)ncn1 ZINC000079439107 388696138 /nfs/dbraw/zinc/69/61/38/388696138.db2.gz ADDJSBJBBAUMIQ-QMMMGPOBSA-N 0 3 208.265 0.283 40 0 BCABHN CCN(CC)C(=O)C1CCN(C[C@@H]2CO2)CC1 ZINC000095097802 388759527 /nfs/dbraw/zinc/75/95/27/388759527.db2.gz JKDHZRAMSHSUCW-GFCCVEGCSA-N 0 3 240.347 0.966 40 0 BCABHN Cc1nn(C)c2c1nc(C)nc2N1CCNCC1 ZINC000026467661 132293592 /nfs/dbraw/zinc/29/35/92/132293592.db2.gz RZKOGAVSEPEWAI-UHFFFAOYSA-N 0 3 246.318 0.390 40 0 BCABHN Cc1cc(CN)nc(N2CCOCC2)n1 ZINC000020383587 132331363 /nfs/dbraw/zinc/33/13/63/132331363.db2.gz SHSFEVCLARFHGF-UHFFFAOYSA-N 0 3 208.265 0.080 40 0 BCABHN CC(=O)N1CCN(c2ncccc2CN)CC1 ZINC000022173865 132332583 /nfs/dbraw/zinc/33/25/83/132332583.db2.gz DJBLIXKONMTCII-UHFFFAOYSA-N 0 3 234.303 0.209 40 0 BCABHN CCN(CC)c1cc(N2CCNCC2)ncn1 ZINC000040434353 132347581 /nfs/dbraw/zinc/34/75/81/132347581.db2.gz GNYWDAVVUHZZPL-UHFFFAOYSA-N 0 3 235.335 0.732 40 0 BCABHN CCn1ccnc(N2CCC[C@@H](N)C2)c1=O ZINC000061767850 132387173 /nfs/dbraw/zinc/38/71/73/132387173.db2.gz DEAYDHRBZLIDLX-SECBINFHSA-N 0 3 222.292 0.191 40 0 BCABHN CSc1nccc(N2CCNC[C@H]2C)n1 ZINC000072203036 132396181 /nfs/dbraw/zinc/39/61/81/132396181.db2.gz JCOVAJNBSIWOIO-MRVPVSSYSA-N 0 3 224.333 0.997 40 0 BCABHN C[C@@H]1CN(c2cc(Cl)ncn2)CCN1 ZINC000072203679 132396516 /nfs/dbraw/zinc/39/65/16/132396516.db2.gz GSBBIOCMYRABTB-SSDOTTSWSA-N 0 3 212.684 0.928 40 0 BCABHN CCOc1cc(N2CCN[C@H](C)C2)ncn1 ZINC000079438776 132412326 /nfs/dbraw/zinc/41/23/26/132412326.db2.gz JWGZPITVQVRCCP-SECBINFHSA-N 0 3 222.292 0.673 40 0 BCABHN CCOC[C@@H]1CCN(C(=O)CNC)C1 ZINC000261528909 135154789 /nfs/dbraw/zinc/15/47/89/135154789.db2.gz WKJANEUNIQKEHO-SECBINFHSA-N 0 3 200.282 0.091 40 0 BCABHN NCCS(=O)(=O)Cc1ccc(F)cc1 ZINC000026509238 398053456 /nfs/dbraw/zinc/05/34/56/398053456.db2.gz UHSKPURIOSJUSM-UHFFFAOYSA-N 0 3 217.265 0.699 40 0 BCABHN CC(C)[NH2+]C[C@@H](O)c1ccc([O-])c(NC=O)c1 ZINC000001869831 167111093 /nfs/dbraw/zinc/11/10/93/167111093.db2.gz VXTQPQRWOVZYGC-GFCCVEGCSA-N 0 3 238.287 0.992 40 0 BCABHN CCOC(=O)CCNCC(OC)OC ZINC000047219006 170208873 /nfs/dbraw/zinc/20/88/73/170208873.db2.gz CRSAIPKKSWMPGB-UHFFFAOYSA-N 0 3 205.254 0.148 40 0 BCABHN CCOC(CNCCC(=O)OC)OCC ZINC000001636968 170316368 /nfs/dbraw/zinc/31/63/68/170316368.db2.gz XAINZBOXLGOBJR-UHFFFAOYSA-N 0 3 219.281 0.538 40 0 BCABHN CCOCCCNC(=O)[C@@H](N)CC(C)C ZINC000019442348 170378013 /nfs/dbraw/zinc/37/80/13/170378013.db2.gz RHVMIEREZXPIDN-JTQLQIEISA-N 0 3 216.325 0.903 40 0 BCABHN CCOCCCNC(=O)[C@H](N)CC(C)C ZINC000019442350 170378660 /nfs/dbraw/zinc/37/86/60/170378660.db2.gz RHVMIEREZXPIDN-SNVBAGLBSA-N 0 3 216.325 0.903 40 0 BCABHN CCc1nnc(NC(=O)[C@H](C)N)s1 ZINC000082255764 172059560 /nfs/dbraw/zinc/05/95/60/172059560.db2.gz HBSXKZWIGMGGBK-BYPYZUCNSA-N 0 3 200.267 0.386 40 0 BCABHN CCn1cc(CNCCN(C)C)c(C)n1 ZINC000256050051 172171121 /nfs/dbraw/zinc/17/11/21/172171121.db2.gz CLKHJEVWQGFWBU-UHFFFAOYSA-N 0 3 210.325 0.863 40 0 BCABHN CCn1cc(CNCCN2CCOCC2)cn1 ZINC000050539429 172171150 /nfs/dbraw/zinc/17/11/50/172171150.db2.gz OQHHSHMOHNAGHD-UHFFFAOYSA-N 0 3 238.335 0.325 40 0 BCABHN CN(C)C(=O)CN1CCC2(COC2)CC1 ZINC000096078157 172363765 /nfs/dbraw/zinc/36/37/65/172363765.db2.gz VCRCPVKUIKZEBI-UHFFFAOYSA-N 0 3 212.293 0.187 40 0 BCABHN CN(C)C(=O)[C@H]1CCN(Cc2ccnn2C)C1 ZINC000019745436 172386724 /nfs/dbraw/zinc/38/67/24/172386724.db2.gz KOVYJHLZPDOMMS-JTQLQIEISA-N 0 3 236.319 0.330 40 0 BCABHN CN1CCCN(c2ncccc2N)CC1 ZINC000020217464 173019467 /nfs/dbraw/zinc/01/94/67/173019467.db2.gz DJZUYSBACQACHE-UHFFFAOYSA-N 0 3 206.293 0.806 40 0 BCABHN CN1CCN(CCC(N)=O)C[C@H]1c1ccccc1 ZINC000257223328 173078987 /nfs/dbraw/zinc/07/89/87/173078987.db2.gz DWWJBBWYQHEKJM-ZDUSSCGKSA-N 0 3 247.342 0.851 40 0 BCABHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000063527586 173137979 /nfs/dbraw/zinc/13/79/79/173137979.db2.gz BHDHXAFKJSXGOP-WCQYABFASA-N 0 3 238.331 0.720 40 0 BCABHN CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000063527585 173164420 /nfs/dbraw/zinc/16/44/20/173164420.db2.gz BHDHXAFKJSXGOP-AAEUAGOBSA-N 0 3 238.331 0.720 40 0 BCABHN CN1C[C@H]2c3ccccc3N[C@@H]2[C@H](O)C1 ZINC000003847381 173188273 /nfs/dbraw/zinc/18/82/73/173188273.db2.gz LZVSIYWYYWXNDN-WCQGTBRESA-N 0 3 204.273 0.871 40 0 BCABHN CN1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 ZINC000306144511 173199655 /nfs/dbraw/zinc/19/96/55/173199655.db2.gz ZHISEPYQYMILKK-HBNTYKKESA-N 0 3 234.303 0.465 40 0 BCABHN CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2)n1 ZINC000072363374 173262784 /nfs/dbraw/zinc/26/27/84/173262784.db2.gz DGGQHMPHNMVLCO-NSHDSACASA-N 0 3 248.330 0.888 40 0 BCABHN CNC(=O)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096100401 173308134 /nfs/dbraw/zinc/30/81/34/173308134.db2.gz CAVLGOTXAXKDHM-OUAUKWLOSA-N 0 3 224.304 0.232 40 0 BCABHN CNC(=O)[C@]1(c2cccc(C)n2)CCCN1 ZINC000072344392 173308586 /nfs/dbraw/zinc/30/85/86/173308586.db2.gz XKPAAKHRJXUECP-GFCCVEGCSA-N 0 3 219.288 0.715 40 0 BCABHN CNCC(=O)N1CCC(c2ccncn2)CC1 ZINC000072361447 173326113 /nfs/dbraw/zinc/32/61/13/173326113.db2.gz GRTKAXJOGTYUFD-UHFFFAOYSA-N 0 3 234.303 0.402 40 0 BCABHN COCCNC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000019483941 174326468 /nfs/dbraw/zinc/32/64/68/174326468.db2.gz YAXKAQMGGKYIAP-IUCAKERBSA-N 0 3 200.282 0.280 40 0 BCABHN COCCNCC(=O)N1CCC[C@@H](C)C1 ZINC000004861389 174331745 /nfs/dbraw/zinc/33/17/45/174331745.db2.gz KXIMUAGTKZPUAB-SNVBAGLBSA-N 0 3 214.309 0.481 40 0 BCABHN C[C@@H]1CN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000037395114 177216748 /nfs/dbraw/zinc/21/67/48/177216748.db2.gz LIFTYMUAXDUXDF-DTORHVGOSA-N 0 3 212.293 0.374 40 0 BCABHN C[C@@H]1C[C@@H]2N[C@H](C)C[C@H]3N[C@@H](C)C[C@H](N1)N23 ZINC000019327229 177353094 /nfs/dbraw/zinc/35/30/94/177353094.db2.gz MZEWYVRDJISVSS-PQTSNVLCSA-N 0 3 224.352 0.412 40 0 BCABHN Cc1cncc(O[C@H]2CCOC3(CNC3)C2)n1 ZINC000253601080 526210777 /nfs/dbraw/zinc/21/07/77/526210777.db2.gz ITCGWDLUEMUTRX-JTQLQIEISA-N 0 3 235.287 0.685 40 0 BCABHN Cc1cnnn1C[C@@H]1CC[C@H]2NCCO[C@H]21 ZINC000253599741 526269157 /nfs/dbraw/zinc/26/91/57/526269157.db2.gz ZRADXOJMYDWCPT-AXFHLTTASA-N 0 3 222.292 0.354 40 0 BCABHN Cc1cnnn1C[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC000253599744 526269307 /nfs/dbraw/zinc/26/93/07/526269307.db2.gz ZRADXOJMYDWCPT-DCAQKATOSA-N 0 3 222.292 0.354 40 0 BCABHN Cc1nn(C)cc1CNC[C@H]1CCCO1 ZINC000011920326 527692988 /nfs/dbraw/zinc/69/29/88/527692988.db2.gz PXRWPMSIAJENBP-LLVKDONJSA-N 0 3 209.293 0.997 40 0 BCABHN CCc1nnc2c(N3CCNCC3)nccn12 ZINC000328579467 535861274 /nfs/dbraw/zinc/86/12/74/535861274.db2.gz JXOKSASWVIGQHG-UHFFFAOYSA-N 0 3 232.291 0.096 40 0 BCABHN Cc1cc2ncc(C(=O)[C@H]3CCCN3)c(N)n2n1 ZINC000257266371 178304135 /nfs/dbraw/zinc/30/41/35/178304135.db2.gz MCRVTHJZMVZNSI-SECBINFHSA-N 0 3 245.286 0.555 40 0 BCABHN CCN1C(=O)CC2(CCN(C)CC2)C1=O ZINC000000346600 342684435 /nfs/dbraw/zinc/68/44/35/342684435.db2.gz UIHKDOBBVHGTAQ-UHFFFAOYSA-N 0 3 210.277 0.477 40 0 BCABHN CC[C@@H](C)[C@@H](N)C(=O)NCCCOC ZINC000034974482 342733331 /nfs/dbraw/zinc/73/33/31/342733331.db2.gz VYGAMAHLWYPLSO-RKDXNWHRSA-N 0 3 202.298 0.513 40 0 BCABHN C[C@@H](O)CN[C@H]1c2ccccc2C[C@@H]1O ZINC000004723032 342751169 /nfs/dbraw/zinc/75/11/69/342751169.db2.gz MDJPOHDQJZNIOZ-ZHAHWJHGSA-N 0 3 207.273 0.615 40 0 BCABHN NC1CN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000087467168 398344297 /nfs/dbraw/zinc/34/42/97/398344297.db2.gz OMUYHKPPUKPXHZ-UHFFFAOYSA-N 0 3 226.226 0.677 40 0 BCABHN COC(=O)[C@H](C)CNCc1cccnc1 ZINC000035133527 343286054 /nfs/dbraw/zinc/28/60/54/343286054.db2.gz QKYMYKYXZMLNEV-SECBINFHSA-N 0 3 208.261 0.980 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN)C1 ZINC000036449727 343304808 /nfs/dbraw/zinc/30/48/08/343304808.db2.gz BQNSQKNGVKRSAL-QMMMGPOBSA-N 0 3 243.307 0.071 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@@H](N2CC(N)C2)C1 ZINC000039952035 343393832 /nfs/dbraw/zinc/39/38/32/343393832.db2.gz VLYFJGWMNGPXSZ-SNVBAGLBSA-N 0 3 241.335 0.639 40 0 BCABHN CC(C)N(Cc1ccccn1)C(=O)CN ZINC000037817110 187260896 /nfs/dbraw/zinc/26/08/96/187260896.db2.gz MBIXWLRINAKHRD-UHFFFAOYSA-N 0 3 207.277 0.777 40 0 BCABHN CC(=O)N(C[C@@H]1CCCN1CCO)C(C)C ZINC000079416493 187263020 /nfs/dbraw/zinc/26/30/20/187263020.db2.gz OVURICNXJDRVLE-LBPRGKRZSA-N 0 3 228.336 0.700 40 0 BCABHN COC(=O)C[C@H](C)NCC(OC)OC ZINC000047219178 343559896 /nfs/dbraw/zinc/55/98/96/343559896.db2.gz GNJGRUDMBNILRV-ZETCQYMHSA-N 0 3 205.254 0.147 40 0 BCABHN NCc1cn(CC(=O)NC2CCCCC2)nn1 ZINC000050224539 343782739 /nfs/dbraw/zinc/78/27/39/343782739.db2.gz CUMDSZNDUDXFGM-UHFFFAOYSA-N 0 3 237.307 0.186 40 0 BCABHN CCc1nn(CC2CCC2)c(=O)n1C1CNC1 ZINC000409428063 343802626 /nfs/dbraw/zinc/80/26/26/343802626.db2.gz YPQTZQADAWBCQB-UHFFFAOYSA-N 0 3 236.319 0.552 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409428156 343802756 /nfs/dbraw/zinc/80/27/56/343802756.db2.gz FZVNFXVZGPERIJ-SVRRBLITSA-N 0 3 240.225 0.107 40 0 BCABHN CN1CCN(c2cc(N)nc(C3CC3)n2)CC1 ZINC000126860751 343786709 /nfs/dbraw/zinc/78/67/09/343786709.db2.gz DIHRFPOWDZHIBW-UHFFFAOYSA-N 0 3 233.319 0.688 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@@H](F)C1 ZINC000146268019 343788921 /nfs/dbraw/zinc/78/89/21/343788921.db2.gz GXDUSAKHZPJHBB-BDAKNGLRSA-N 0 3 200.257 0.699 40 0 BCABHN CNCC(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000308562807 343789992 /nfs/dbraw/zinc/78/99/92/343789992.db2.gz WZYDUZFLXLURHZ-ZCFIWIBFSA-N 0 3 210.199 0.617 40 0 BCABHN CCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339414668 343791504 /nfs/dbraw/zinc/79/15/04/343791504.db2.gz IZRCCRROZOHHAY-JTQLQIEISA-N 0 3 210.281 0.427 40 0 BCABHN NCC(=O)N1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000200403112 343791964 /nfs/dbraw/zinc/79/19/64/343791964.db2.gz IWOBTGPRUWWDMP-RYUDHWBXSA-N 0 3 234.299 0.180 40 0 BCABHN C[C@@H](N)C(=O)N1CCC(C(F)F)CC1 ZINC000306430578 343797217 /nfs/dbraw/zinc/79/72/17/343797217.db2.gz YXVSNUSYFWBZKA-ZCFIWIBFSA-N 0 3 206.236 0.837 40 0 BCABHN CCO[C@@H]1CN(CCO)C[C@@H]1OCC ZINC000409426804 343798855 /nfs/dbraw/zinc/79/88/55/343798855.db2.gz DAVXJGRPZQTIRE-AOOOYVTPSA-N 0 3 203.282 0.105 40 0 BCABHN CCOC[C@@H]1CN(CC(=N)NO)C[C@H]1C ZINC000409427028 343799417 /nfs/dbraw/zinc/79/94/17/343799417.db2.gz DOJHBPNEGKNDPI-BDAKNGLRSA-N 0 3 215.297 0.547 40 0 BCABHN CNCC(=O)N1CC[C@]2(C1)C[C@H](OC)CCO2 ZINC000409428359 343803188 /nfs/dbraw/zinc/80/31/88/343803188.db2.gz GINMSZNORGQJGI-ZYHUDNBSSA-N 0 3 242.319 0.002 40 0 BCABHN c1cc(N2CCNCC2)nc(N2CCC2)n1 ZINC000409427308 343800520 /nfs/dbraw/zinc/80/05/20/343800520.db2.gz IYPPCYRMJLNUDL-UHFFFAOYSA-N 0 3 219.292 0.096 40 0 BCABHN COc1ccc2c(c1)OC1(CNC1)C[C@H]2O ZINC000409431331 343801646 /nfs/dbraw/zinc/80/16/46/343801646.db2.gz JGLGACSYPVMNNY-SNVBAGLBSA-N 0 3 221.256 0.853 40 0 BCABHN C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1CCCCN1 ZINC000409427942 343801910 /nfs/dbraw/zinc/80/19/10/343801910.db2.gz LDFKSOUQVUOGHL-HBNTYKKESA-N 0 3 226.320 0.500 40 0 BCABHN CCN1CCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409424232 343817272 /nfs/dbraw/zinc/81/72/72/343817272.db2.gz GBDHXSRRYXOAJK-SNVBAGLBSA-N 0 3 208.265 0.575 40 0 BCABHN CN1CCC(Cn2cc(C=O)nn2)CC1 ZINC000409424923 343817655 /nfs/dbraw/zinc/81/76/55/343817655.db2.gz IPSORMRKQKWYLD-UHFFFAOYSA-N 0 3 208.265 0.432 40 0 BCABHN NCC(=O)N(C1CC1)[C@@H]1CCSC1 ZINC000409425336 343819380 /nfs/dbraw/zinc/81/93/80/343819380.db2.gz AJBHOOZBYCHSGN-MRVPVSSYSA-N 0 3 200.307 0.442 40 0 BCABHN COCCC1CCN(C(=O)[C@H](C)N)CC1 ZINC000409425692 343820188 /nfs/dbraw/zinc/82/01/88/343820188.db2.gz GMQQJWCZEPPDHF-VIFPVBQESA-N 0 3 214.309 0.609 40 0 BCABHN O=Cc1cn([C@H]2CCN(C3CCC3)C2)nn1 ZINC000409426227 343822098 /nfs/dbraw/zinc/82/20/98/343822098.db2.gz OXRRQCLUGUZTEX-NSHDSACASA-N 0 3 220.276 0.890 40 0 BCABHN COC[C@]12CCC[C@@H]1CN(C(=O)[C@H](C)N)C2 ZINC000409431727 343822652 /nfs/dbraw/zinc/82/26/52/343822652.db2.gz KDNBDPJOARRNKF-HOSYDEDBSA-N 0 3 226.320 0.609 40 0 BCABHN C[C@H](N)C(=O)N1CCc2c1cccc2CO ZINC000409432017 343825006 /nfs/dbraw/zinc/82/50/06/343825006.db2.gz KNCZIQLSDZSMCM-QMMMGPOBSA-N 0 3 220.272 0.415 40 0 BCABHN CNCC(=O)N1CC[C@H](O)[C@@H](CC(C)C)C1 ZINC000409432286 343826240 /nfs/dbraw/zinc/82/62/40/343826240.db2.gz KXRIUKOJFHEQAM-QWRGUYRKSA-N 0 3 228.336 0.461 40 0 BCABHN NCC(=O)N1CCOC[C@@H]2CCCC[C@H]21 ZINC000409428496 343803807 /nfs/dbraw/zinc/80/38/07/343803807.db2.gz GMCQORRFBFHCBE-VHSXEESVSA-N 0 3 212.293 0.363 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC(F)(F)C[C@@H]1CO ZINC000409430412 343807997 /nfs/dbraw/zinc/80/79/97/343807997.db2.gz IOEVMJOEOPOKKV-BDAKNGLRSA-N 0 3 248.273 0.357 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC(F)(F)C[C@@H]1CO ZINC000409430421 343808200 /nfs/dbraw/zinc/80/82/00/343808200.db2.gz IOEVMJOEOPOKKV-RKDXNWHRSA-N 0 3 248.273 0.357 40 0 BCABHN COC[C@@H]1CN(CC(=N)NO)CC12CCC2 ZINC000409432764 343827453 /nfs/dbraw/zinc/82/74/53/343827453.db2.gz LUOWZXASOLKYIJ-VIFPVBQESA-N 0 3 227.308 0.691 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@]2(C1)CCCCO2 ZINC000409430777 343809314 /nfs/dbraw/zinc/80/93/14/343809314.db2.gz RERYHXKSLBHTJE-KOLCDFICSA-N 0 3 212.293 0.505 40 0 BCABHN N=C(CN1CCC(CCO)CC1)NO ZINC000401010642 343811421 /nfs/dbraw/zinc/81/14/21/343811421.db2.gz RHYSXPDQIRWALG-UHFFFAOYSA-N 0 3 201.270 0.037 40 0 BCABHN CNCC(=O)N1CC[C@](OC)(C(F)(F)F)C1 ZINC000409432972 343828794 /nfs/dbraw/zinc/82/87/94/343828794.db2.gz LXUWZTNNZRGUEK-MRVPVSSYSA-N 0 3 240.225 0.386 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000409434097 343831037 /nfs/dbraw/zinc/83/10/37/343831037.db2.gz ZXVGYHOYOFINPG-ZYHUDNBSSA-N 0 3 226.320 0.895 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H](C)N)CC12CCC2 ZINC000409434481 343831585 /nfs/dbraw/zinc/83/15/85/343831585.db2.gz PLAYOKFXBVZUCQ-UWVGGRQHSA-N 0 3 226.320 0.609 40 0 BCABHN COC[C@@H]1CN(C(=O)CN)C[C@@H]1C(F)(F)F ZINC000409435187 343832586 /nfs/dbraw/zinc/83/25/86/343832586.db2.gz STXGONHFXQEJQZ-BQBZGAKWSA-N 0 3 240.225 0.228 40 0 BCABHN CO[C@]1(C(F)(F)F)CCN(CC(=N)NO)C1 ZINC000409435335 343833163 /nfs/dbraw/zinc/83/31/63/343833163.db2.gz UFEMDGVHMVDGNJ-SSDOTTSWSA-N 0 3 241.213 0.596 40 0 BCABHN N=C(CN(C1CC1)[C@H]1CCSC1)NO ZINC000409435418 343833188 /nfs/dbraw/zinc/83/31/88/343833188.db2.gz UMOXIUHQIZXPSP-QMMMGPOBSA-N 0 3 215.322 0.912 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCN(CCO)C2)C1 ZINC000409435053 343835424 /nfs/dbraw/zinc/83/54/24/343835424.db2.gz SCTJRWBKJZWMRO-GHMZBOCLSA-N 0 3 215.293 0.249 40 0 BCABHN CCOC[C@H]1CN(C(=O)CNC)C[C@@H]1C ZINC000409436386 343838469 /nfs/dbraw/zinc/83/84/69/343838469.db2.gz ZOOVYNCNGADNFD-VHSXEESVSA-N 0 3 214.309 0.337 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CNC)C[C@H]1C ZINC000409436387 343838546 /nfs/dbraw/zinc/83/85/46/343838546.db2.gz ZOOVYNCNGADNFD-ZJUUUORDSA-N 0 3 214.309 0.337 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CNC)C[C@@H]1C ZINC000409436385 343838645 /nfs/dbraw/zinc/83/86/45/343838645.db2.gz ZOOVYNCNGADNFD-UWVGGRQHSA-N 0 3 214.309 0.337 40 0 BCABHN N=C(CN1C[C@@H](CO)C2(CCC2)C1)NO ZINC000409435773 343839969 /nfs/dbraw/zinc/83/99/69/343839969.db2.gz WMJKWXZJVPCKSZ-QMMMGPOBSA-N 0 3 213.281 0.037 40 0 BCABHN CNc1nccnc1[C@H]1CCCN(C(=O)CN)C1 ZINC000072383391 187276654 /nfs/dbraw/zinc/27/66/54/187276654.db2.gz JXXINIAHERUXGZ-VIFPVBQESA-N 0 3 249.318 0.183 40 0 BCABHN COc1cccc([C@H]2C[C@H](N)C(=O)N2C)c1 ZINC000409441589 343860249 /nfs/dbraw/zinc/86/02/49/343860249.db2.gz PVNAVGURKYOJKH-WDEREUQCSA-N 0 3 220.272 0.926 40 0 BCABHN COc1ccc([C@@H]2C[C@H](N)C(=O)N2C)cc1 ZINC000409442593 343860997 /nfs/dbraw/zinc/86/09/97/343860997.db2.gz XUWGFKWZAXGEAN-QWRGUYRKSA-N 0 3 220.272 0.926 40 0 BCABHN CNCc1cnn(CC(=O)OC(C)(C)C)c1 ZINC000585143098 344178877 /nfs/dbraw/zinc/17/88/77/344178877.db2.gz TYIKMXAWMRTGIB-UHFFFAOYSA-N 0 3 225.292 0.944 40 0 BCABHN COC[C@@H]1CN(C)C2(CN(c3ncccn3)C2)C1 ZINC000585093985 344130341 /nfs/dbraw/zinc/13/03/41/344130341.db2.gz WDXXMDHURFAKCZ-NSHDSACASA-N 0 3 248.330 0.634 40 0 BCABHN Cc1ccnc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000585181331 344277724 /nfs/dbraw/zinc/27/77/24/344277724.db2.gz GITBBAZEVZEXME-SECBINFHSA-N 0 3 220.276 0.060 40 0 BCABHN CN(C)C/C=C/C(=O)N1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000585289732 344402896 /nfs/dbraw/zinc/40/28/96/344402896.db2.gz MMUISNUEWITIAK-FYWABFHESA-N 0 3 238.331 0.334 40 0 BCABHN c1nc(N2CCNCC2)cc2c1COCC2 ZINC000257713693 345781717 /nfs/dbraw/zinc/78/17/17/345781717.db2.gz LHSJOTWSOCACAH-UHFFFAOYSA-N 0 3 219.288 0.564 40 0 BCABHN NC1CN(CC(=O)Nc2cccc(F)c2)C1 ZINC000082595447 345910014 /nfs/dbraw/zinc/91/00/14/345910014.db2.gz VJUWLKIXOAKFEG-UHFFFAOYSA-N 0 3 223.251 0.407 40 0 BCABHN NC1CN(C(=O)c2ccc(F)cc2F)C1 ZINC000082590365 345910230 /nfs/dbraw/zinc/91/02/30/345910230.db2.gz WIKYESJLVXJDQN-UHFFFAOYSA-N 0 3 212.199 0.748 40 0 BCABHN NC[C@H](O)c1ccc(N2CCOCC2)o1 ZINC000082964830 345914553 /nfs/dbraw/zinc/91/45/53/345914553.db2.gz TXQHXSMFZYRVHQ-QMMMGPOBSA-N 0 3 212.249 0.108 40 0 BCABHN C[C@@H]1CCCCN1C(=O)CN1CC(N)C1 ZINC000083636153 345919424 /nfs/dbraw/zinc/91/94/24/345919424.db2.gz KLCBHYGPZASOPR-SECBINFHSA-N 0 3 211.309 0.030 40 0 BCABHN CCOCC1CCN(C(=O)CN)CC1 ZINC000083887809 345920744 /nfs/dbraw/zinc/92/07/44/345920744.db2.gz OXQLKVRRVBJGGC-UHFFFAOYSA-N 0 3 200.282 0.220 40 0 BCABHN CNc1cc(N2CCNCC2)nc(C)n1 ZINC000087831170 345940066 /nfs/dbraw/zinc/94/00/66/345940066.db2.gz NUVRHNBTCBKDRG-UHFFFAOYSA-N 0 3 207.281 0.236 40 0 BCABHN Cc1nc(N)cc(N2CCC(CO)CC2)n1 ZINC000087800857 345941258 /nfs/dbraw/zinc/94/12/58/345941258.db2.gz AJTILMHNWBIVGN-UHFFFAOYSA-N 0 3 222.292 0.576 40 0 BCABHN Cc1nc(N)cc(N2CCC[C@H](O)C2)n1 ZINC000087811596 345942104 /nfs/dbraw/zinc/94/21/04/345942104.db2.gz LQRZQCNGFURWQH-QMMMGPOBSA-N 0 3 208.265 0.328 40 0 BCABHN CNc1cc(N2CCCN(C)CC2)ncn1 ZINC000087806492 345942325 /nfs/dbraw/zinc/94/23/25/345942325.db2.gz RJJZJOBTWCCCHU-UHFFFAOYSA-N 0 3 221.308 0.660 40 0 BCABHN Cc1cccc(CN2CC[C@@H]3NC(=O)C[C@@H]32)n1 ZINC000096081160 179081059 /nfs/dbraw/zinc/08/10/59/179081059.db2.gz SRHQOESNXAZCOX-RYUDHWBXSA-N 0 3 231.299 0.853 40 0 BCABHN Nc1nc(N)nc(NC2CCCCC2)n1 ZINC000031425225 347221435 /nfs/dbraw/zinc/22/14/35/347221435.db2.gz FHEJGRHXJIQFRP-UHFFFAOYSA-N 0 3 208.269 0.781 40 0 BCABHN Cc1cccc([C@@]2(C(N)=O)CCCN2)n1 ZINC000072344390 179192285 /nfs/dbraw/zinc/19/22/85/179192285.db2.gz NRPSMCNWPWTUSX-LLVKDONJSA-N 0 3 205.261 0.454 40 0 BCABHN CCSc1ncc(CNCCO)cn1 ZINC000062717281 259406905 /nfs/dbraw/zinc/40/69/05/259406905.db2.gz PVCYFYIAJQGZKG-UHFFFAOYSA-N 0 3 213.306 0.671 40 0 BCABHN CCNc1ncc(CNCCN(C)C)cn1 ZINC000062718419 259408149 /nfs/dbraw/zinc/40/81/49/259408149.db2.gz TYLFFICQRXNEER-UHFFFAOYSA-N 0 3 223.324 0.560 40 0 BCABHN Cc1nc2cccc3nc(N)nc(n1)-n-2-3 ZINC000016941977 180101517 /nfs/dbraw/zinc/10/15/17/180101517.db2.gz DRZCTCPCYOUXQZ-UHFFFAOYSA-N 0 3 200.205 0.491 40 0 BCABHN Cc1cnc(-c2cc(CN)ncn2)cn1 ZINC000409436647 350479869 /nfs/dbraw/zinc/47/98/69/350479869.db2.gz PYWUBMLJAXDWEU-UHFFFAOYSA-N 0 3 201.233 0.701 40 0 BCABHN CC(C)N(C(=O)CN)[C@@H]1CCCN(C)C1 ZINC000079406955 188291528 /nfs/dbraw/zinc/29/15/28/188291528.db2.gz ITEHCPSXNOLCGE-SNVBAGLBSA-N 0 3 213.325 0.276 40 0 BCABHN CC(=O)N(C[C@H]1CCCCN1CCO)C1CC1 ZINC000079416589 188291836 /nfs/dbraw/zinc/29/18/36/188291836.db2.gz ZSVNYWPQJFUGBS-CYBMUJFWSA-N 0 3 240.347 0.844 40 0 BCABHN CC(=O)N(C[C@H]1CCCN1CCO)C(C)C ZINC000079416497 188291855 /nfs/dbraw/zinc/29/18/55/188291855.db2.gz OVURICNXJDRVLE-GFCCVEGCSA-N 0 3 228.336 0.700 40 0 BCABHN CC(C)N(C(=O)CN)[C@H](C)c1cnccn1 ZINC000079435607 188292251 /nfs/dbraw/zinc/29/22/51/188292251.db2.gz BKNLIIXPDOFGCC-SECBINFHSA-N 0 3 222.292 0.733 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H]2NN=C(N)[C@@H]2C1 ZINC000035269922 356464763 /nfs/dbraw/zinc/46/47/63/356464763.db2.gz GCRNGPNGNJSZCC-RQJHMYQMSA-N 0 3 226.280 0.097 40 0 BCABHN CCCn1cc(N)c(C(=O)NCCN(C)C)n1 ZINC000685936669 538757712 /nfs/dbraw/zinc/75/77/12/538757712.db2.gz OVBKPPAQGNMGIQ-UHFFFAOYSA-N 0 3 239.323 0.167 40 0 BCABHN c1nc(NCC2CC2)cc(N2CCNCC2)n1 ZINC000117068299 359824012 /nfs/dbraw/zinc/82/40/12/359824012.db2.gz RIMPIHJVUNQMQN-UHFFFAOYSA-N 0 3 233.319 0.708 40 0 BCABHN NCC(=O)N(Cc1ccc(Cl)nn1)C1CC1 ZINC000079435659 181348923 /nfs/dbraw/zinc/34/89/23/181348923.db2.gz PNHGPTJHCQQENI-UHFFFAOYSA-N 0 3 240.694 0.580 40 0 BCABHN CC(C)c1noc(CNC(=O)[C@H](C)N)n1 ZINC000072220513 259530366 /nfs/dbraw/zinc/53/03/66/259530366.db2.gz VTGGRHBOZLIQQI-LURJTMIESA-N 0 3 212.253 0.156 40 0 BCABHN NCCN1C=Nc2ccccc2S1(=O)=O ZINC000040500293 181392130 /nfs/dbraw/zinc/39/21/30/181392130.db2.gz LQWCFPGCTMOSJM-UHFFFAOYSA-N 0 3 225.273 0.309 40 0 BCABHN O=c1cc(-c2cccnc2)nc([C@@H]2CC[NH2+]C2)[n-]1 ZINC000019340362 368319487 /nfs/dbraw/zinc/31/94/87/368319487.db2.gz KRSITYBCSVJKBE-SNVBAGLBSA-N 0 3 242.282 0.909 40 0 BCABHN O=c1cc(-c2cccnc2)nc([C@H]2CC[NH2+]C2)[n-]1 ZINC000019340367 368319528 /nfs/dbraw/zinc/31/95/28/368319528.db2.gz KRSITYBCSVJKBE-JTQLQIEISA-N 0 3 242.282 0.909 40 0 BCABHN CC(C)(C)CCN1CCO[C@@](C)(C(N)=O)C1 ZINC000205679022 368357102 /nfs/dbraw/zinc/35/71/02/368357102.db2.gz DAEXEFXVLOPUSX-GFCCVEGCSA-N 0 3 228.336 0.999 40 0 BCABHN O=c1ccc(OCC2CC[NH2+]CC2)n[n-]1 ZINC000043830158 183000132 /nfs/dbraw/zinc/00/01/32/183000132.db2.gz DASUTKIXZJYVFG-UHFFFAOYSA-N 0 3 209.249 0.148 40 0 BCABHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCO)C1 ZINC000003947525 183002756 /nfs/dbraw/zinc/00/27/56/183002756.db2.gz YACCDFQYQYSQKW-WDEREUQCSA-N 0 3 234.299 0.260 40 0 BCABHN OCCN1CCC2(CCN2c2ncccn2)CC1 ZINC000096078022 183071948 /nfs/dbraw/zinc/07/19/48/183071948.db2.gz GYXDYSBALSWMSW-UHFFFAOYSA-N 0 3 248.330 0.514 40 0 BCABHN O[C@H]1[C@@H]2CC[C@H]1[C@H](N1CCOCC1)CC2 ZINC000005105706 183213573 /nfs/dbraw/zinc/21/35/73/183213573.db2.gz UMPQDIIYRFNIIY-KXNHARMFSA-N 0 3 211.305 0.868 40 0 BCABHN CCCN1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000019409614 169201066 /nfs/dbraw/zinc/20/10/66/169201066.db2.gz YUDFWHFONPZFHC-LBPRGKRZSA-N 0 3 239.363 0.683 40 0 BCABHN c1cc(CNC[C@H]2Cn3nncc3CO2)co1 ZINC000096199118 183352494 /nfs/dbraw/zinc/35/24/94/183352494.db2.gz CLTIPVSDSFHYRW-NSHDSACASA-N 0 3 234.259 0.560 40 0 BCABHN C[C@@H](N)C(=O)N1C[C@H](CO)C2(C1)CCCCC2 ZINC000409435285 383836198 /nfs/dbraw/zinc/83/61/98/383836198.db2.gz UBMISYHOOJPEQI-GHMZBOCLSA-N 0 3 240.347 0.735 40 0 BCABHN CC[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1O ZINC000409434945 383842711 /nfs/dbraw/zinc/84/27/11/383842711.db2.gz RKTYEFUBGVNWNN-IJLUTSLNSA-N 0 3 240.347 0.748 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C ZINC000409434147 383829325 /nfs/dbraw/zinc/82/93/25/383829325.db2.gz OIACXDACAVHDLX-BBBLOLIVSA-N 0 3 214.309 0.465 40 0 BCABHN COC[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079392043 384133897 /nfs/dbraw/zinc/13/38/97/384133897.db2.gz SAKAPPNOEJPHOC-IUCAKERBSA-N 0 3 200.282 0.219 40 0 BCABHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415147 384136906 /nfs/dbraw/zinc/13/69/06/384136906.db2.gz MRKSBRCQDFPUEY-CYBMUJFWSA-N 0 3 247.342 0.678 40 0 BCABHN C[C@](N)(Cc1ccc2c(c1)OCO2)C(N)=O ZINC000005730040 384128020 /nfs/dbraw/zinc/12/80/20/384128020.db2.gz VDMUWWOTFCARHH-NSHDSACASA-N 0 3 222.244 0.161 40 0 BCABHN CC(C)[C@H](N)C(=O)NC1CCC(=O)CC1 ZINC000079391911 384132616 /nfs/dbraw/zinc/13/26/16/384132616.db2.gz SABXZHLSZWIBAY-JTQLQIEISA-N 0 3 212.293 0.598 40 0 BCABHN COC[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392056 384132821 /nfs/dbraw/zinc/13/28/21/384132821.db2.gz ROTSKXNSBATLKR-ZJUUUORDSA-N 0 3 214.309 0.465 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)CC(=O)c1ccc[nH]1 ZINC000079436539 384146913 /nfs/dbraw/zinc/14/69/13/384146913.db2.gz PQJQPLYBLVHMFL-NSHDSACASA-N 0 3 237.303 0.639 40 0 BCABHN CNC(=O)[C@@H]1CCCN1[C@@H](CN)C(F)(F)F ZINC000042391362 384148675 /nfs/dbraw/zinc/14/86/75/384148675.db2.gz WJAGDIMZVAYYHJ-BQBZGAKWSA-N 0 3 239.241 0.086 40 0 BCABHN CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417863 384139333 /nfs/dbraw/zinc/13/93/33/384139333.db2.gz QFIJGRBRXIJWNO-QWRGUYRKSA-N 0 3 241.335 0.049 40 0 BCABHN CCN(C(C)=O)C1CCN(CCO)CC1 ZINC000079416443 384139580 /nfs/dbraw/zinc/13/95/80/384139580.db2.gz NFWTXTRUKLOMNF-UHFFFAOYSA-N 0 3 214.309 0.312 40 0 BCABHN CC(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000079417566 384140226 /nfs/dbraw/zinc/14/02/26/384140226.db2.gz FTADPLYLTURQIP-ONGXEEELSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N1CCN(C(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000079420035 384142532 /nfs/dbraw/zinc/14/25/32/384142532.db2.gz HDMPKMQGLHPQTM-KOLCDFICSA-N 0 3 241.335 0.049 40 0 BCABHN C[C@H](N)C(=O)NCc1ccc(Cl)nc1 ZINC000079421606 384144069 /nfs/dbraw/zinc/14/40/69/384144069.db2.gz ORDLTCSQIZPCQQ-LURJTMIESA-N 0 3 213.668 0.698 40 0 BCABHN C[N@H+](C[C@H]1CCCN(CC(=O)[O-])C1)C1CC1 ZINC000079419799 384144520 /nfs/dbraw/zinc/14/45/20/384144520.db2.gz ULYAPCMUSYDZBX-SNVBAGLBSA-N 0 3 226.320 0.877 40 0 BCABHN C[N@@H+](C[C@H]1CCCN(CC(=O)[O-])C1)C1CC1 ZINC000079419799 384144525 /nfs/dbraw/zinc/14/45/25/384144525.db2.gz ULYAPCMUSYDZBX-SNVBAGLBSA-N 0 3 226.320 0.877 40 0 BCABHN Cc1ccnc(C2CCN(CCO)CC2)n1 ZINC000072356867 384211869 /nfs/dbraw/zinc/21/18/69/384211869.db2.gz WGPWSNIRSXKITE-UHFFFAOYSA-N 0 3 221.304 0.957 40 0 BCABHN C[C@H]1NCCn2c(CN3CCN(C)CC3)cnc21 ZINC000107491955 384391676 /nfs/dbraw/zinc/39/16/76/384391676.db2.gz LQOVAJRHXRWKIQ-LLVKDONJSA-N 0 3 249.362 0.295 40 0 BCABHN COC(=O)[C@H]1C[C@H]2Cc3nc[nH]c3CN2C1 ZINC000095828953 384400734 /nfs/dbraw/zinc/40/07/34/384400734.db2.gz GREJYKDLWQHLEN-YUMQZZPRSA-N 0 3 221.260 0.329 40 0 BCABHN NC[C@H](c1ccccc1)n1ncccc1=O ZINC000095908443 384405590 /nfs/dbraw/zinc/40/55/90/384405590.db2.gz CZIRJIMJHOLYEA-LLVKDONJSA-N 0 3 215.256 0.791 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCO)C1 ZINC000095644190 384388483 /nfs/dbraw/zinc/38/84/83/384388483.db2.gz BBTWDRZGCWPGHB-JTQLQIEISA-N 0 3 244.335 0.968 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1COC[C@H]1N ZINC000096361357 384455713 /nfs/dbraw/zinc/45/57/13/384455713.db2.gz HWYDCYLRWDJCCH-RQJHMYQMSA-N 0 3 202.254 0.237 40 0 BCABHN CCN(C[C@@H]1CCN(CCO)C1)C(C)=O ZINC000079416427 384496472 /nfs/dbraw/zinc/49/64/72/384496472.db2.gz SKPJKDCSHARHNS-LLVKDONJSA-N 0 3 214.309 0.169 40 0 BCABHN CN(C)CCNC(=O)COc1ccccc1 ZINC000002031160 384502986 /nfs/dbraw/zinc/50/29/86/384502986.db2.gz GCAVLAMOJXNSIU-UHFFFAOYSA-N 0 3 222.288 0.743 40 0 BCABHN CCCc1nsc(N2CCNCC2)n1 ZINC000083650252 384786092 /nfs/dbraw/zinc/78/60/92/384786092.db2.gz HLLPKVQRIZMEPC-UHFFFAOYSA-N 0 3 212.322 0.900 40 0 BCABHN c1cnn(C[C@H]2CNCc3nccn3C2)c1 ZINC000107488307 384973562 /nfs/dbraw/zinc/97/35/62/384973562.db2.gz KJAYCFITAZBBBD-JTQLQIEISA-N 0 3 217.276 0.499 40 0 BCABHN C[C@H](O)c1ccc(N2CCNCC2)nc1 ZINC000072225506 385109169 /nfs/dbraw/zinc/10/91/69/385109169.db2.gz PSWHBRMTNRRMRU-VIFPVBQESA-N 0 3 207.277 0.545 40 0 BCABHN c1ccc2c(c1)cnnc2OC1CNC1 ZINC000062810149 385190354 /nfs/dbraw/zinc/19/03/54/385190354.db2.gz JOJFDRKRPNOBFR-UHFFFAOYSA-N 0 3 201.229 0.980 40 0 BCABHN CCOc1ncc([C@H](CN)N2CCCC2)cn1 ZINC000096511169 385248289 /nfs/dbraw/zinc/24/82/89/385248289.db2.gz ZQLPJKKBYPBKKM-NSHDSACASA-N 0 3 236.319 0.971 40 0 BCABHN c1cnn(-c2nccnc2N2CCNCC2)c1 ZINC000096517246 385255068 /nfs/dbraw/zinc/25/50/68/385255068.db2.gz OJGMORZTXDKNBH-UHFFFAOYSA-N 0 3 230.275 0.072 40 0 BCABHN CS(=O)(=O)Cc1c2[nH]cnc2ccc1N ZINC000096532841 385285202 /nfs/dbraw/zinc/28/52/02/385285202.db2.gz QVEKYMDAEAXJTK-UHFFFAOYSA-N 0 3 225.273 0.690 40 0 BCABHN NC1CN(C(=O)c2ccnc(Cl)c2)C1 ZINC000409424609 385333238 /nfs/dbraw/zinc/33/32/38/385333238.db2.gz WWMKYXVKSBUMGV-UHFFFAOYSA-N 0 3 211.652 0.518 40 0 BCABHN N=C(CN1C[C@H]2[C@H](CCC2(F)F)C1)NO ZINC000409424669 385333745 /nfs/dbraw/zinc/33/37/45/385333745.db2.gz COBYADRAEKEGLB-RQJHMYQMSA-N 0 3 219.235 0.920 40 0 BCABHN CCOCCCNC(=O)CNC1CC1 ZINC000037390188 385642652 /nfs/dbraw/zinc/64/26/52/385642652.db2.gz XCXHRHHMTRYTHV-UHFFFAOYSA-N 0 3 200.282 0.281 40 0 BCABHN Nc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717381 385713169 /nfs/dbraw/zinc/71/31/69/385713169.db2.gz VRSOWOULFSWIAC-GFCCVEGCSA-N 0 3 244.298 0.882 40 0 BCABHN CN(C)Cc1c[nH]c([C@H]2CNCCO2)n1 ZINC000257257849 385759312 /nfs/dbraw/zinc/75/93/12/385759312.db2.gz KRHWIQRVMXERLF-SECBINFHSA-N 0 3 210.281 0.132 40 0 BCABHN CN(C)Cc1cnc([C@H]2CNCCO2)[nH]1 ZINC000257257849 385759318 /nfs/dbraw/zinc/75/93/18/385759318.db2.gz KRHWIQRVMXERLF-SECBINFHSA-N 0 3 210.281 0.132 40 0 BCABHN c1ccc([C@H]2CNCC3(COC3)N2)cc1 ZINC000306145523 385994716 /nfs/dbraw/zinc/99/47/16/385994716.db2.gz HQFDJCILPKIEJS-LLVKDONJSA-N 0 3 204.273 0.690 40 0 BCABHN O=C([C@@H]1CN[C@@H]2CCO[C@@H]2C1)N1CCCC1 ZINC000306131680 385992054 /nfs/dbraw/zinc/99/20/54/385992054.db2.gz KMBGVSHFXMDTSU-HBNTYKKESA-N 0 3 224.304 0.376 40 0 BCABHN NCc1ccc(N2CCCNC2=O)nc1 ZINC000098214004 386582855 /nfs/dbraw/zinc/58/28/55/386582855.db2.gz QOPQYGMZKBNXBB-UHFFFAOYSA-N 0 3 206.249 0.460 40 0 BCABHN COCCn1cc2c(n1)[C@@H](CN)OCC2 ZINC000096044331 387012774 /nfs/dbraw/zinc/01/27/74/387012774.db2.gz ZZIHBRQPYJIBCC-SECBINFHSA-N 0 3 211.265 0.102 40 0 BCABHN Cc1c(O)c(=O)ccn1C[C@@H]1CCCN1C ZINC000575410696 387013676 /nfs/dbraw/zinc/01/36/76/387013676.db2.gz AOYBGXPXTCJHMJ-JTQLQIEISA-N 0 3 222.288 0.957 40 0 BCABHN c1cnc(NC[C@@H]2CC[C@H]3NCCO[C@@H]32)nc1 ZINC000096250330 387025971 /nfs/dbraw/zinc/02/59/71/387025971.db2.gz ODIXYWNYEWLQJR-HBNTYKKESA-N 0 3 234.303 0.656 40 0 BCABHN Cn1nccc1CNCCCN1CCOCC1 ZINC000036901234 387846959 /nfs/dbraw/zinc/84/69/59/387846959.db2.gz KSPWCVHSIGCPBK-UHFFFAOYSA-N 0 3 238.335 0.232 40 0 BCABHN Cc1nn(C)cc1CNCCN1CCOCC1 ZINC000125915046 387851682 /nfs/dbraw/zinc/85/16/82/387851682.db2.gz ZNBGIOFNFIAERB-UHFFFAOYSA-N 0 3 238.335 0.150 40 0 BCABHN CCS(=O)(=O)C1C(=O)N2CCCC[C@@H]12 ZINC000217736133 388380317 /nfs/dbraw/zinc/38/03/17/388380317.db2.gz HIXQQNIYGGRPMQ-YUMQZZPRSA-N 0 3 217.290 0.184 40 0 BCABHN Cn1c(=O)c2cnccc2nc1[C@H]1CCCN1 ZINC000242620190 388399969 /nfs/dbraw/zinc/39/99/69/388399969.db2.gz PXMAYDOWPPYQOB-SNVBAGLBSA-N 0 3 230.271 0.753 40 0 BCABHN CC(C)N(C)Cc1cnc2n1CCNC2 ZINC000107491737 388616840 /nfs/dbraw/zinc/61/68/40/388616840.db2.gz WUJDWTHZXTZZBC-UHFFFAOYSA-N 0 3 208.309 0.827 40 0 BCABHN Nc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717414 388655607 /nfs/dbraw/zinc/65/56/07/388655607.db2.gz IBQTXMDOMAZOPH-UHFFFAOYSA-N 0 3 245.286 0.622 40 0 BCABHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCO1 ZINC000062725416 388656643 /nfs/dbraw/zinc/65/66/43/388656643.db2.gz LIHPVZVAIPMQTO-RKDXNWHRSA-N 0 3 232.349 0.362 40 0 BCABHN CCN(CC)C(=O)[C@H]1CCCN(C[C@@H]2CO2)C1 ZINC000095097811 388760544 /nfs/dbraw/zinc/76/05/44/388760544.db2.gz YGUBCZRDZZKDSF-NWDGAFQWSA-N 0 3 240.347 0.966 40 0 BCABHN C[C@H](N)C(=O)N1CCN(c2ccccn2)CC1 ZINC000011957955 132320948 /nfs/dbraw/zinc/32/09/48/132320948.db2.gz UZHXBSXJWIVPEW-JTQLQIEISA-N 0 3 234.303 0.077 40 0 BCABHN Cc1nn(C)c2c1ncnc2N1CCNCC1 ZINC000026467654 132333596 /nfs/dbraw/zinc/33/35/96/132333596.db2.gz OELMCHSTXSYKRL-UHFFFAOYSA-N 0 3 232.291 0.081 40 0 BCABHN CSc1nccc(N2CCNC[C@@H]2C)n1 ZINC000072203037 132396294 /nfs/dbraw/zinc/39/62/94/132396294.db2.gz JCOVAJNBSIWOIO-QMMMGPOBSA-N 0 3 224.333 0.997 40 0 BCABHN C[C@H]1CNCCN1c1ccnc(Cl)n1 ZINC000072203445 132396497 /nfs/dbraw/zinc/39/64/97/132396497.db2.gz OUBNTDTXGFVJCK-ZETCQYMHSA-N 0 3 212.684 0.928 40 0 BCABHN Cc1cc(C=O)cnc1N1CCNCC1 ZINC000072222523 132396755 /nfs/dbraw/zinc/39/67/55/132396755.db2.gz BQIVODLVMWDRNL-UHFFFAOYSA-N 0 3 205.261 0.612 40 0 BCABHN c1cc2c(cnnc2N2CCNCC2)o1 ZINC000225756737 134357460 /nfs/dbraw/zinc/35/74/60/134357460.db2.gz AFDURLTYMMLRSK-UHFFFAOYSA-N 0 3 204.233 0.632 40 0 BCABHN N[C@@H]1C=CN=C2N=CC(Br)=C21 ZINC000602993577 398085762 /nfs/dbraw/zinc/08/57/62/398085762.db2.gz VZQUMPPHYAAXPA-RXMQYKEDSA-N 0 3 212.050 0.973 40 0 BCABHN CC[C@@H](O)c1ccc(N2CCNCC2)nc1 ZINC000072225509 322908997 /nfs/dbraw/zinc/90/89/97/322908997.db2.gz RAWMWTWUNAYRTI-LLVKDONJSA-N 0 3 221.304 0.935 40 0 BCABHN CO[C@H]1C[NH2+][C@@H](c2nc3ncccc3c(=O)[n-]2)C1 ZINC000253536296 411301197 /nfs/dbraw/zinc/30/11/97/411301197.db2.gz MNAQGCZPJANLRK-VXNVDRBHSA-N 0 3 246.270 0.780 40 0 BCABHN CCN1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253203 170040285 /nfs/dbraw/zinc/04/02/85/170040285.db2.gz RWJNCOROONDCOV-GRYCIOLGSA-N 0 3 238.331 0.718 40 0 BCABHN CCOC(=O)[C@H](C)CN1CCN(C)CC1 ZINC000022593774 170263777 /nfs/dbraw/zinc/26/37/77/170263777.db2.gz PXVDCSSPQKCTDI-SNVBAGLBSA-N 0 3 214.309 0.433 40 0 BCABHN CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000040458656 171395901 /nfs/dbraw/zinc/39/59/01/171395901.db2.gz NIKPPDXTUAZYJI-AEJSXWLSSA-N 0 3 214.309 0.655 40 0 BCABHN CCn1ncc(C)c1CNCCN(C)C ZINC000256053789 172254415 /nfs/dbraw/zinc/25/44/15/172254415.db2.gz SWGFFVUPPQRWIA-UHFFFAOYSA-N 0 3 210.325 0.863 40 0 BCABHN CCn1nccc1NC(=O)[C@H]1CCCCN1 ZINC000225814302 172275595 /nfs/dbraw/zinc/27/55/95/172275595.db2.gz GEBAFCCXVUEEEJ-SECBINFHSA-N 0 3 222.292 0.984 40 0 BCABHN CCn1nccc1NC(=O)[C@@H]1CCCCN1 ZINC000225814285 172276048 /nfs/dbraw/zinc/27/60/48/172276048.db2.gz GEBAFCCXVUEEEJ-VIFPVBQESA-N 0 3 222.292 0.984 40 0 BCABHN CN1C[C@H]2c3ccccc3N[C@@H]2[C@@H](O)C1 ZINC000103214967 173196578 /nfs/dbraw/zinc/19/65/78/173196578.db2.gz LZVSIYWYYWXNDN-DLOVCJGASA-N 0 3 204.273 0.871 40 0 BCABHN CN1C[C@H]2[C@H](CN2C(=O)NCc2cccnc2)C1 ZINC000096250898 173197572 /nfs/dbraw/zinc/19/75/72/173197572.db2.gz POJDVIFMSIPQJC-RYUDHWBXSA-N 0 3 246.314 0.537 40 0 BCABHN COC1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079392047 174023960 /nfs/dbraw/zinc/02/39/60/174023960.db2.gz OXSRPZLJDFAKGH-UEJVZZJDSA-N 0 3 200.282 0.407 40 0 BCABHN COCCCNCc1c(C)nn(C)c1F ZINC000256054169 174246758 /nfs/dbraw/zinc/24/67/58/174246758.db2.gz VENUXCUVVWKYMA-UHFFFAOYSA-N 0 3 215.272 0.994 40 0 BCABHN COCCN1CCC[C@@](C)(c2nncn2C)C1 ZINC000257310388 174306219 /nfs/dbraw/zinc/30/62/19/174306219.db2.gz UEWQTBNLTDVTGH-GFCCVEGCSA-N 0 3 238.335 0.815 40 0 BCABHN COCCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072357035 174308069 /nfs/dbraw/zinc/30/80/69/174308069.db2.gz FAXDCLBJALWOBX-JTQLQIEISA-N 0 3 236.319 0.885 40 0 BCABHN COCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000019517355 174321653 /nfs/dbraw/zinc/32/16/53/174321653.db2.gz IZKYGEFQDRSSST-LLVKDONJSA-N 0 3 222.288 0.839 40 0 BCABHN COc1ccc2c(c1)C[C@H](CN)C(=O)N2 ZINC000011982400 175211149 /nfs/dbraw/zinc/21/11/49/175211149.db2.gz NJPOKOBXQJNOJT-MRVPVSSYSA-N 0 3 206.245 0.765 40 0 BCABHN COc1cccc([C@H](N)c2nnc[nH]2)c1 ZINC000083746118 175294654 /nfs/dbraw/zinc/29/46/54/175294654.db2.gz RIGZIKUJNKWEKU-VIFPVBQESA-N 0 3 204.233 0.861 40 0 BCABHN COc1ncc([C@H](CN)N2CCCC2)cn1 ZINC000096511165 175401211 /nfs/dbraw/zinc/40/12/11/175401211.db2.gz NGAMCOBBAONZHJ-JTQLQIEISA-N 0 3 222.292 0.581 40 0 BCABHN CSc1nccnc1CNC(=O)[C@H](C)N ZINC000079435718 175590766 /nfs/dbraw/zinc/59/07/66/175590766.db2.gz MBMIKMHWHURPCV-LURJTMIESA-N 0 3 226.305 0.162 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccco1 ZINC000072397627 176323799 /nfs/dbraw/zinc/32/37/99/176323799.db2.gz COXAUDVZDZOWSA-GRYCIOLGSA-N 0 3 236.315 0.919 40 0 BCABHN CC(=O)N(C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000242750686 519450261 /nfs/dbraw/zinc/45/02/61/519450261.db2.gz ZVWGBCUAPMOKOQ-LSJOCFKGSA-N 0 3 241.335 0.239 40 0 BCABHN CC(=O)N(C[C@@H]1CCN(CCO)C1)C1CC1 ZINC000079416563 519466441 /nfs/dbraw/zinc/46/64/41/519466441.db2.gz LKJQLTKRYSTRDE-LLVKDONJSA-N 0 3 226.320 0.312 40 0 BCABHN O=C(CNC[C@@H]1CCCO1)NCc1ccco1 ZINC000004969121 526880855 /nfs/dbraw/zinc/88/08/55/526880855.db2.gz ZBSZREBSUMKEON-JTQLQIEISA-N 0 3 238.287 0.664 40 0 BCABHN O=c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)[nH]c(=O)[n-]1 ZINC000005822427 342770473 /nfs/dbraw/zinc/77/04/73/342770473.db2.gz WQYSLFVTKWFIES-QXFUBDJGSA-N 0 3 235.287 0.341 40 0 BCABHN O=c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)[nH]c(=O)[n-]1 ZINC000005822428 342770564 /nfs/dbraw/zinc/77/05/64/342770564.db2.gz WQYSLFVTKWFIES-XKSSXDPKSA-N 0 3 235.287 0.341 40 0 BCABHN Cn1c(SCCO)nnc1[C@@H]1CCCN1 ZINC000012113574 342846816 /nfs/dbraw/zinc/84/68/16/342846816.db2.gz LYDWUXHAQLITQW-ZETCQYMHSA-N 0 3 228.321 0.324 40 0 BCABHN CC1(C)CN(CCO)C(C)(C)CN1CCO ZINC000019366426 342946826 /nfs/dbraw/zinc/94/68/26/342946826.db2.gz POAIVAPYMDRWLF-UHFFFAOYSA-N 0 3 230.352 0.146 40 0 BCABHN CN(C[C@H]1CNCCO1)C(=O)OC(C)(C)C ZINC000138216865 398342978 /nfs/dbraw/zinc/34/29/78/398342978.db2.gz NWUVCNHMCLDAOF-SECBINFHSA-N 0 3 230.308 0.842 40 0 BCABHN CC[C@@H](C)[C@@H](N)C(=O)N1CCOCC1 ZINC000019506206 342950136 /nfs/dbraw/zinc/95/01/36/342950136.db2.gz LDQFIFFNZXKTIU-RKDXNWHRSA-N 0 3 200.282 0.219 40 0 BCABHN Nc1ccccc1NC(=O)CN1CCNCC1 ZINC000044831508 349795956 /nfs/dbraw/zinc/79/59/56/349795956.db2.gz OFYUYSOLNLCOTB-UHFFFAOYSA-N 0 3 234.303 0.113 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCC(F)(F)C1 ZINC000259581561 343134937 /nfs/dbraw/zinc/13/49/37/343134937.db2.gz UIUXJYPCXNOKJA-MRVPVSSYSA-N 0 3 218.247 0.996 40 0 BCABHN COC(=O)C[C@H](C)N1CCN(C)CC1 ZINC000035751315 187249951 /nfs/dbraw/zinc/24/99/51/187249951.db2.gz VOUMWRQYTPYQJK-VIFPVBQESA-N 0 3 200.282 0.185 40 0 BCABHN N[C@@H]1CS[C@@H](c2cccs2)CNC1=O ZINC000034170832 343265424 /nfs/dbraw/zinc/26/54/24/343265424.db2.gz JIKPFDXBWSSTCF-HTRCEHHLSA-N 0 3 228.342 0.980 40 0 BCABHN CCN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000095096500 346932883 /nfs/dbraw/zinc/93/28/83/346932883.db2.gz DNIQSYZEBGCNGC-SNVBAGLBSA-N 0 3 209.297 0.394 40 0 BCABHN CC(C)(C)OC(=O)N1CCCNC[C@H]1CO ZINC000071864463 187260388 /nfs/dbraw/zinc/26/03/88/187260388.db2.gz ZBEPNWDUNCVGNX-VIFPVBQESA-N 0 3 230.308 0.578 40 0 BCABHN COC(=O)[C@H](C)CNCC(OC)OC ZINC000047219177 343559670 /nfs/dbraw/zinc/55/96/70/343559670.db2.gz MLUHTEHMVDQJFG-SSDOTTSWSA-N 0 3 205.254 0.004 40 0 BCABHN Cc1cc(N2CCC2)nc(N2CCNCC2)n1 ZINC000026472233 343776931 /nfs/dbraw/zinc/77/69/31/343776931.db2.gz MEMDOSLQKDNIFA-UHFFFAOYSA-N 0 3 233.319 0.405 40 0 BCABHN Cc1nc(N)cc(NCCN2CCOCC2)n1 ZINC000128599698 343787437 /nfs/dbraw/zinc/78/74/37/343787437.db2.gz MWWMBCLQAJTWCL-UHFFFAOYSA-N 0 3 237.307 0.111 40 0 BCABHN CC(C)N(C(=O)CN1CC[C@H](CO)C1)C(C)C ZINC000051886836 343788715 /nfs/dbraw/zinc/78/87/15/343788715.db2.gz MYKNTWHPUQFHNC-LBPRGKRZSA-N 0 3 242.363 0.946 40 0 BCABHN O=C([C@H]1C[C@H](F)CN1)N1CCCCC1 ZINC000188685532 343791122 /nfs/dbraw/zinc/79/11/22/343791122.db2.gz DNLOQEUPNXEYLE-DTWKUNHWSA-N 0 3 200.257 0.699 40 0 BCABHN CCOC[C@@H]1CCCCN1C(=O)[C@@H](C)N ZINC000313271341 343791187 /nfs/dbraw/zinc/79/11/87/343791187.db2.gz WCGTTWTVBYYDQV-ZJUUUORDSA-N 0 3 214.309 0.751 40 0 BCABHN COc1cccc2c1OCCN(C(=O)CN)C2 ZINC000214317936 343792686 /nfs/dbraw/zinc/79/26/86/343792686.db2.gz KTRFVMRDWTWTES-UHFFFAOYSA-N 0 3 236.271 0.375 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000306218689 343797237 /nfs/dbraw/zinc/79/72/37/343797237.db2.gz LOSBUJMYGZOACF-NTSWFWBYSA-N 0 3 210.199 0.744 40 0 BCABHN CNCC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000304597912 343797571 /nfs/dbraw/zinc/79/75/71/343797571.db2.gz QDOSDFFYDDJLTF-UHFFFAOYSA-N 0 3 240.225 0.122 40 0 BCABHN CCO[C@H]1CN(CCO)C[C@@H]1OCC ZINC000409426810 343799112 /nfs/dbraw/zinc/79/91/12/343799112.db2.gz DAVXJGRPZQTIRE-UWVGGRQHSA-N 0 3 203.282 0.105 40 0 BCABHN CCN(C(=O)[C@H](C)N)[C@H]1CCSC1 ZINC000409427337 343800529 /nfs/dbraw/zinc/80/05/29/343800529.db2.gz DUHWOOHXMPBBFD-YUMQZZPRSA-N 0 3 202.323 0.688 40 0 BCABHN N=C(CN1CC[C@H](O)[C@@H](CC2CC2)C1)NO ZINC000409427381 343800623 /nfs/dbraw/zinc/80/06/23/343800623.db2.gz FBHMERMGCFMRHE-UWVGGRQHSA-N 0 3 227.308 0.425 40 0 BCABHN COC(CN(C)c1cc(N)nc(C)n1)OC ZINC000409427653 343801517 /nfs/dbraw/zinc/80/15/17/343801517.db2.gz BGVLWCDGEKDGCL-UHFFFAOYSA-N 0 3 226.280 0.422 40 0 BCABHN NC1CN(CC(=O)c2ccc(F)cc2)C1 ZINC000409422362 343813210 /nfs/dbraw/zinc/81/32/10/343813210.db2.gz CWJRGGKSECSIQU-UHFFFAOYSA-N 0 3 208.236 0.651 40 0 BCABHN CCCCN1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422897 343814332 /nfs/dbraw/zinc/81/43/32/343814332.db2.gz LZWGYLDPMNNKHF-VHSXEESVSA-N 0 3 215.293 0.642 40 0 BCABHN CCn1ccc2ccn(CCN)c(=O)c21 ZINC000409423050 343814804 /nfs/dbraw/zinc/81/48/04/343814804.db2.gz OAFUQXSQLBUBJN-UHFFFAOYSA-N 0 3 205.261 0.782 40 0 BCABHN N=C(CN1CCC2(CCCCO2)CC1)NO ZINC000409424147 343816762 /nfs/dbraw/zinc/81/67/62/343816762.db2.gz BKDCPJLAVSAYTO-UHFFFAOYSA-N 0 3 227.308 0.978 40 0 BCABHN CN1CCC(CCn2cc(C=O)nn2)CC1 ZINC000409425410 343819287 /nfs/dbraw/zinc/81/92/87/343819287.db2.gz LUUCIQJWHMEBEZ-UHFFFAOYSA-N 0 3 222.292 0.823 40 0 BCABHN CNCC(=O)N1CCOC[C@H]2CCC[C@@H]21 ZINC000409425592 343819710 /nfs/dbraw/zinc/81/97/10/343819710.db2.gz ALZOFVLAPARHRK-ZJUUUORDSA-N 0 3 212.293 0.233 40 0 BCABHN CNCC(=O)N1C[C@H]2CCCC[C@]2(COC)C1 ZINC000409425710 343820220 /nfs/dbraw/zinc/82/02/20/343820220.db2.gz BDYYKHLLAJAWSV-DGCLKSJQSA-N 0 3 240.347 0.871 40 0 BCABHN CCC(=O)N1CCC[C@H]1Cn1cc(CN)nn1 ZINC000409426253 343821830 /nfs/dbraw/zinc/82/18/30/343821830.db2.gz PHZIBFWASQXAJH-JTQLQIEISA-N 0 3 237.307 0.138 40 0 BCABHN CC(C)(C)OC(=O)NCCn1cc(CN)nn1 ZINC000409426249 343821857 /nfs/dbraw/zinc/82/18/57/343821857.db2.gz PGESMBSTJPDKMA-UHFFFAOYSA-N 0 3 241.295 0.262 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@H](C(F)F)C1 ZINC000409431830 343822906 /nfs/dbraw/zinc/82/29/06/343822906.db2.gz TUVQUASXTSFLTB-BQBZGAKWSA-N 0 3 206.236 0.837 40 0 BCABHN NCC(=O)N1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409428494 343803817 /nfs/dbraw/zinc/80/38/17/343803817.db2.gz GMCQORRFBFHCBE-UWVGGRQHSA-N 0 3 212.293 0.363 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@H]2CCCC[C@@H]21 ZINC000409428603 343804113 /nfs/dbraw/zinc/80/41/13/343804113.db2.gz GTTXXLZCPUKFLO-AXFHLTTASA-N 0 3 226.320 0.751 40 0 BCABHN OCCN1CCN(C2CCSCC2)CC1 ZINC000409429554 343806053 /nfs/dbraw/zinc/80/60/53/343806053.db2.gz OMKYRLRYZLNZTK-UHFFFAOYSA-N 0 3 230.377 0.492 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCSC1 ZINC000409432734 343827411 /nfs/dbraw/zinc/82/74/11/343827411.db2.gz LTFDIUJULUMFID-IONNQARKSA-N 0 3 214.334 0.830 40 0 BCABHN C[C@@H](N)C(=O)N1CCc2ccc(CO)cc21 ZINC000409430683 343808707 /nfs/dbraw/zinc/80/87/07/343808707.db2.gz IUJKIFZAYHCBJQ-MRVPVSSYSA-N 0 3 220.272 0.415 40 0 BCABHN COC[C@@]12CN(C(=O)[C@@H](C)N)C[C@H]1CCCC2 ZINC000409430858 343809260 /nfs/dbraw/zinc/80/92/60/343809260.db2.gz JFNNQWOSXKWIGE-NQBHXWOUSA-N 0 3 240.347 0.999 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCCO2 ZINC000409430780 343809369 /nfs/dbraw/zinc/80/93/69/343809369.db2.gz RERYHXKSLBHTJE-MWLCHTKSSA-N 0 3 212.293 0.505 40 0 BCABHN CCC[C@@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409431129 343809771 /nfs/dbraw/zinc/80/97/71/343809771.db2.gz JLOMPFKYXNLAJN-RKDXNWHRSA-N 0 3 215.297 0.425 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000390499890 343810408 /nfs/dbraw/zinc/81/04/08/343810408.db2.gz UFLFCIGYMBWPKR-BIIVOSGPSA-N 0 3 218.247 0.837 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCC[C@@]2(COC)C1 ZINC000409435196 343832663 /nfs/dbraw/zinc/83/26/63/343832663.db2.gz SWBIMTMTJASLGJ-JQWIXIFHSA-N 0 3 226.320 0.481 40 0 BCABHN CCN(C(=O)CNC)[C@H]1CCSC1 ZINC000409435371 343833153 /nfs/dbraw/zinc/83/31/53/343833153.db2.gz UHISLBNXOXNOHU-QMMMGPOBSA-N 0 3 202.323 0.560 40 0 BCABHN COC[C@]12CCC[C@@H]1CN(C(=O)CN)C2 ZINC000409435357 343833348 /nfs/dbraw/zinc/83/33/48/343833348.db2.gz UGIHQTGOYGXKFX-MWLCHTKSSA-N 0 3 212.293 0.220 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CN)C[C@H]1C ZINC000409435664 343835036 /nfs/dbraw/zinc/83/50/36/343835036.db2.gz WCENHHVLZGMUGX-BDAKNGLRSA-N 0 3 200.282 0.076 40 0 BCABHN CCC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1O ZINC000409434710 343835110 /nfs/dbraw/zinc/83/51/10/343835110.db2.gz QGIDWYPIGCZRRY-BBBLOLIVSA-N 0 3 214.309 0.343 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409436058 343836673 /nfs/dbraw/zinc/83/66/73/343836673.db2.gz XWZIUUBQSGFZSK-HOSYDEDBSA-N 0 3 226.320 0.345 40 0 BCABHN Cn1ccc(C2CCN(CCO)CC2)n1 ZINC000409438096 343849627 /nfs/dbraw/zinc/84/96/27/343849627.db2.gz KIXWZKHSVYCFQO-UHFFFAOYSA-N 0 3 209.293 0.592 40 0 BCABHN CC(C)(C)OC(=O)C1CCN(CN)CC1 ZINC000072338642 187276855 /nfs/dbraw/zinc/27/68/55/187276855.db2.gz FNBYKYYLHUFVAE-UHFFFAOYSA-N 0 3 214.309 0.956 40 0 BCABHN COc1cccc([C@@H]2C[C@H](N)C(=O)N2C)c1 ZINC000409441588 343859863 /nfs/dbraw/zinc/85/98/63/343859863.db2.gz PVNAVGURKYOJKH-QWRGUYRKSA-N 0 3 220.272 0.926 40 0 BCABHN COc1ccc(CN2CC(N)C2)cc1F ZINC000082595742 345910253 /nfs/dbraw/zinc/91/02/53/345910253.db2.gz DJHKTYDVLKEJCM-UHFFFAOYSA-N 0 3 210.252 0.977 40 0 BCABHN CNCC(=O)N1CCCC[C@H]1COC ZINC000083904181 345920033 /nfs/dbraw/zinc/92/00/33/345920033.db2.gz KHRJBFLBWDELAJ-VIFPVBQESA-N 0 3 200.282 0.233 40 0 BCABHN CCCNc1cc(N2CCNCC2)ncn1 ZINC000087831186 345939980 /nfs/dbraw/zinc/93/99/80/345939980.db2.gz XLDQIOKQWMSTKS-UHFFFAOYSA-N 0 3 221.308 0.708 40 0 BCABHN CNc1cc(N2CCN(C)CC2)nc(C)n1 ZINC000087805916 345941241 /nfs/dbraw/zinc/94/12/41/345941241.db2.gz SFWSOPPRFOPTDS-UHFFFAOYSA-N 0 3 221.308 0.579 40 0 BCABHN COC1CCN(c2cc(N)nc(C)n2)CC1 ZINC000087810373 345942296 /nfs/dbraw/zinc/94/22/96/345942296.db2.gz LMGRKJRWGJOODC-UHFFFAOYSA-N 0 3 222.292 0.982 40 0 BCABHN CNc1cncc([C@@H]2CCCN(CCO)C2)n1 ZINC000205701788 348578413 /nfs/dbraw/zinc/57/84/13/348578413.db2.gz HXGGSOXTQYDLKP-SNVBAGLBSA-N 0 3 236.319 0.690 40 0 BCABHN CN1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000205676895 348572507 /nfs/dbraw/zinc/57/25/07/348572507.db2.gz SWLPXHSDALGWRT-SSDOTTSWSA-N 0 3 203.249 0.772 40 0 BCABHN OCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717828 259407904 /nfs/dbraw/zinc/40/79/04/259407904.db2.gz WSHHNFVDHBJHDN-UHFFFAOYSA-N 0 3 236.319 0.549 40 0 BCABHN N=C(CN(C1CC1)C1CCOCC1)NO ZINC000409431173 350134690 /nfs/dbraw/zinc/13/46/90/350134690.db2.gz JOEBNOYFDDOQLR-UHFFFAOYSA-N 0 3 213.281 0.586 40 0 BCABHN Cc1nccc([C@@H]2CCCN(CCO)C2)n1 ZINC000072379978 180207686 /nfs/dbraw/zinc/20/76/86/180207686.db2.gz VUAUGCINXZOIHI-LLVKDONJSA-N 0 3 221.304 0.957 40 0 BCABHN Cc1nccnc1[C@@H]1CCCN(CCO)C1 ZINC000072381321 180281702 /nfs/dbraw/zinc/28/17/02/180281702.db2.gz SLIWTIQJEJLAMK-LLVKDONJSA-N 0 3 221.304 0.957 40 0 BCABHN CCCN1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422528 350474428 /nfs/dbraw/zinc/47/44/28/350474428.db2.gz HWSPCANYLIKTTN-IUCAKERBSA-N 0 3 201.266 0.252 40 0 BCABHN Cc1nc(C(=O)N2CCCNCC2)co1 ZINC000409436583 350479680 /nfs/dbraw/zinc/47/96/80/350479680.db2.gz LCENPZRPMQPHOK-UHFFFAOYSA-N 0 3 209.249 0.419 40 0 BCABHN N[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000062209365 191136503 /nfs/dbraw/zinc/13/65/03/191136503.db2.gz BIWGSXQRPDRLJY-ZYHUDNBSSA-N 0 3 217.272 0.845 40 0 BCABHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)n(C)n1 ZINC000002774848 353478053 /nfs/dbraw/zinc/47/80/53/353478053.db2.gz YYHRAYKIFCZBTB-NSHDSACASA-N 0 3 248.330 0.649 40 0 BCABHN NC(=O)CCN1CCC[C@H]1c1ccncn1 ZINC000257255043 181224644 /nfs/dbraw/zinc/22/46/44/181224644.db2.gz KFVHDYVUIKCREV-JTQLQIEISA-N 0 3 220.276 0.489 40 0 BCABHN CCc1noc(-c2cn(C3CNC3)nn2)n1 ZINC000086194424 357872556 /nfs/dbraw/zinc/87/25/56/357872556.db2.gz UMSKVYXPJMYHMN-UHFFFAOYSA-N 0 3 220.236 0.035 40 0 BCABHN Cc1cc(C)c(CN)c(N(C)S(C)(=O)=O)n1 ZINC000257197918 370683821 /nfs/dbraw/zinc/68/38/21/370683821.db2.gz NHAYYOYUQVFZFN-UHFFFAOYSA-N 0 3 243.332 0.553 40 0 BCABHN NC1(CO)COC(c2ccccc2)OC1 ZINC000001762097 181331754 /nfs/dbraw/zinc/33/17/54/181331754.db2.gz PTMRADLPOVFZEE-UHFFFAOYSA-N 0 3 209.245 0.422 40 0 BCABHN NCC(=O)N(Cc1ccncc1)C1CC1 ZINC000037803394 181348414 /nfs/dbraw/zinc/34/84/14/181348414.db2.gz RUNHFMDKJITFRT-UHFFFAOYSA-N 0 3 205.261 0.531 40 0 BCABHN NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035018167 181353013 /nfs/dbraw/zinc/35/30/13/181353013.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 0 3 233.315 0.336 40 0 BCABHN COCC[NH+]1CCC(C)(c2cc(=O)[nH][n-]2)CC1 ZINC000205697416 368359385 /nfs/dbraw/zinc/35/93/85/368359385.db2.gz CNBFGARCOSVRIJ-UHFFFAOYSA-N 0 3 239.319 0.703 40 0 BCABHN CN(C)C(=O)[C@]1(c2ccncc2)CCCN1 ZINC000205705952 368359735 /nfs/dbraw/zinc/35/97/35/368359735.db2.gz LTRQMKWBQPVORB-GFCCVEGCSA-N 0 3 219.288 0.749 40 0 BCABHN O=C(NC1CCCC1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1 ZINC000306135138 182109909 /nfs/dbraw/zinc/10/99/09/182109909.db2.gz OIWSMMLXRLYOMS-MVWJERBFSA-N 0 3 238.331 0.812 40 0 BCABHN OCCN1CCC[C@H]1c1ccnc2nccn21 ZINC000257281635 183075625 /nfs/dbraw/zinc/07/56/25/183075625.db2.gz OQFJGAWWTJXCSE-JTQLQIEISA-N 0 3 232.287 0.859 40 0 BCABHN OCCNCc1cnn(CC(F)F)c1 ZINC000256051130 183079637 /nfs/dbraw/zinc/07/96/37/183079637.db2.gz HVUNTGUXPUMAIN-UHFFFAOYSA-N 0 3 205.208 0.230 40 0 BCABHN c1c2c(nnc1OCC1CC1)CCNC2 ZINC000328579594 183321819 /nfs/dbraw/zinc/32/18/19/183321819.db2.gz QLFXHMGELSOIPZ-UHFFFAOYSA-N 0 3 205.261 0.911 40 0 BCABHN CCCN1CCO[C@]2(C1)CNCCOC2 ZINC000096228933 169204122 /nfs/dbraw/zinc/20/41/22/169204122.db2.gz VAVXHJDWXXNYET-NSHDSACASA-N 0 3 214.309 0.087 40 0 BCABHN CCCN1CCc2[nH]c(=NN)ncc2C1 ZINC000049474159 169207863 /nfs/dbraw/zinc/20/78/63/169207863.db2.gz AKBBSLDAOUQQKT-UHFFFAOYSA-N 0 3 207.281 0.530 40 0 BCABHN c1cc2c(cc1[C@H]1CNCCN1)OCCO2 ZINC000041233947 183371351 /nfs/dbraw/zinc/37/13/51/183371351.db2.gz NEEQQZVUUVBFBR-SNVBAGLBSA-N 0 3 220.272 0.692 40 0 BCABHN c1ccc(CN2C[C@@H]3COC[C@H](C2)N3)cc1 ZINC000091304987 183403515 /nfs/dbraw/zinc/40/35/15/183403515.db2.gz CJHJMYYZZUEKSD-BETUJISGSA-N 0 3 218.300 0.859 40 0 BCABHN NCCn1nc(-c2ccsc2)ccc1=O ZINC000575622518 383877824 /nfs/dbraw/zinc/87/78/24/383877824.db2.gz NCECVKREVYCXRS-UHFFFAOYSA-N 0 3 221.285 0.931 40 0 BCABHN CCOC[C@H]1CN(C(=O)CN)CC12CCC2 ZINC000409434192 383829022 /nfs/dbraw/zinc/82/90/22/383829022.db2.gz OLQXXYIUBGRCGR-SNVBAGLBSA-N 0 3 226.320 0.610 40 0 BCABHN CN(C)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000001692138 383923664 /nfs/dbraw/zinc/92/36/64/383923664.db2.gz XICBTWCTGMMXKS-NXEZZACHSA-N 0 3 224.304 0.723 40 0 BCABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N[C@H]1c1ccccc1 ZINC000257306755 383931433 /nfs/dbraw/zinc/93/14/33/383931433.db2.gz SVROTRBWMBZJLJ-TUAOUCFPSA-N 0 3 233.315 0.505 40 0 BCABHN COCCCNC(=O)[C@H]1CCC[C@H](C)N1 ZINC000034974497 384008638 /nfs/dbraw/zinc/00/86/38/384008638.db2.gz VJDNWIKFDFYLJU-VHSXEESVSA-N 0 3 214.309 0.670 40 0 BCABHN CCN(CCO)[C@H]1CCCN(C(C)=O)C1 ZINC000079405349 384133267 /nfs/dbraw/zinc/13/32/67/384133267.db2.gz PLBXLWGBERAEML-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN COC[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000079392041 384133839 /nfs/dbraw/zinc/13/38/39/384133839.db2.gz HLUQYDXJLLJZAV-DTWKUNHWSA-N 0 3 200.282 0.361 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCN(C)C1 ZINC000079407496 384134952 /nfs/dbraw/zinc/13/49/52/384134952.db2.gz RWUFYIGFHGPTBN-ZJUUUORDSA-N 0 3 213.325 0.132 40 0 BCABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCN(C)C1 ZINC000079407272 384137634 /nfs/dbraw/zinc/13/76/34/384137634.db2.gz LFPSXISSXRJOII-VHSXEESVSA-N 0 3 213.325 0.275 40 0 BCABHN COC[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079392065 384132475 /nfs/dbraw/zinc/13/24/75/384132475.db2.gz YDBMODXSCMXDMS-QWRGUYRKSA-N 0 3 228.336 0.997 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@@H](C)c1cnccn1 ZINC000079435826 384146523 /nfs/dbraw/zinc/14/65/23/384146523.db2.gz ZJKOXXHKVCYNSQ-ONGXEEELSA-N 0 3 236.319 0.979 40 0 BCABHN CC(=O)N(C[C@@H]1CCCN(CCO)C1)C(C)C ZINC000079416525 384140552 /nfs/dbraw/zinc/14/05/52/384140552.db2.gz RYSQBIPXQADSJX-CYBMUJFWSA-N 0 3 242.363 0.948 40 0 BCABHN CN(CCO)Cc1ccc2c(c1)OCCO2 ZINC000079421378 384143652 /nfs/dbraw/zinc/14/36/52/384143652.db2.gz WFSPMIVSZGKWAB-UHFFFAOYSA-N 0 3 223.272 0.882 40 0 BCABHN NCc1ccc(-c2ccncc2)[nH]c1=O ZINC000043404307 384187234 /nfs/dbraw/zinc/18/72/34/384187234.db2.gz MXRJAXHMBDPHSN-UHFFFAOYSA-N 0 3 201.229 0.896 40 0 BCABHN CC(C)(C)OC(=O)[C@H](O)[C@@H]1CCCCN1 ZINC000072338669 384207723 /nfs/dbraw/zinc/20/77/23/384207723.db2.gz BBWPENHUNUJQKV-DTWKUNHWSA-N 0 3 215.293 0.831 40 0 BCABHN c1cn(C[C@@H]2CC[C@H]3NCCO[C@H]32)cn1 ZINC000107257564 384389663 /nfs/dbraw/zinc/38/96/63/384389663.db2.gz AIMYDOCETLBOBD-AXFHLTTASA-N 0 3 207.277 0.650 40 0 BCABHN O=C1N(Cc2cccnc2)C[C@@H]2CNC[C@]12F ZINC000096261725 384445388 /nfs/dbraw/zinc/44/53/88/384445388.db2.gz ANFYKKIWCFAQDS-CMPLNLGQSA-N 0 3 235.262 0.352 40 0 BCABHN Cn1nc(COCC2CC2)c2c1CCNC2 ZINC000096259839 384446224 /nfs/dbraw/zinc/44/62/24/384446224.db2.gz FOWYABJQRQUXPZ-UHFFFAOYSA-N 0 3 221.304 0.992 40 0 BCABHN O=C(C1=NO[C@@]2(C1)CCCNC2)N1CCCC1 ZINC000096268880 384449741 /nfs/dbraw/zinc/44/97/41/384449741.db2.gz KACBOIVXHZOOIG-GFCCVEGCSA-N 0 3 237.303 0.507 40 0 BCABHN Cn1c(=O)ccc2c1CCN([C@H]1CCOC1)CC2 ZINC000096196638 384443432 /nfs/dbraw/zinc/44/34/32/384443432.db2.gz UNXJBBBTHSZWST-LBPRGKRZSA-N 0 3 248.326 0.575 40 0 BCABHN Cn1ncc(CN)c1COCC(F)F ZINC000408716529 384703822 /nfs/dbraw/zinc/70/38/22/384703822.db2.gz NWXHROKEODEXLM-UHFFFAOYSA-N 0 3 205.208 0.661 40 0 BCABHN COC[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000081061170 384731846 /nfs/dbraw/zinc/73/18/46/384731846.db2.gz KRBDHLQKEPUKGX-WDEREUQCSA-N 0 3 226.320 0.623 40 0 BCABHN CNCC(=O)N1CCC[C@H](COC)C1 ZINC000083887796 384757150 /nfs/dbraw/zinc/75/71/50/384757150.db2.gz ORNIYUQLZCBQPV-VIFPVBQESA-N 0 3 200.282 0.091 40 0 BCABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccoc2)N1 ZINC000107251387 384957583 /nfs/dbraw/zinc/95/75/83/384957583.db2.gz YLTBRRNUFCZPPW-VHSXEESVSA-N 0 3 206.245 0.742 40 0 BCABHN O=C1NCC[C@H]2CN(Cc3ccoc3)C[C@H]12 ZINC000107824600 385001282 /nfs/dbraw/zinc/00/12/82/385001282.db2.gz QNPGOMXWJYATHN-QWRGUYRKSA-N 0 3 220.272 0.848 40 0 BCABHN CC1(C)NCCN[C@]1(O)c1ccccc1 ZINC000039105529 385012098 /nfs/dbraw/zinc/01/20/98/385012098.db2.gz KHFHTAQZTXVFJN-LBPRGKRZSA-N 0 3 206.289 0.803 40 0 BCABHN CCOC(=O)[C@H](CN)C(C)(C)N1CCOCC1 ZINC000072210413 385068872 /nfs/dbraw/zinc/06/88/72/385068872.db2.gz ONHMOHSIGMNEJT-JTQLQIEISA-N 0 3 244.335 0.235 40 0 BCABHN COc1ncc([C@@H](CN)N2CCCC2)cn1 ZINC000096511164 385249219 /nfs/dbraw/zinc/24/92/19/385249219.db2.gz NGAMCOBBAONZHJ-SNVBAGLBSA-N 0 3 222.292 0.581 40 0 BCABHN C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H](C)N ZINC000306225607 385253004 /nfs/dbraw/zinc/25/30/04/385253004.db2.gz FSRLLBRORRJKJL-MNOVXSKESA-N 0 3 236.315 0.743 40 0 BCABHN Cn1c(N2CC[C@@H](N)C2)nc2c(c1=O)CCCC2 ZINC000096516840 385253584 /nfs/dbraw/zinc/25/35/84/385253584.db2.gz GRJGZXDRQILXQX-SECBINFHSA-N 0 3 248.330 0.197 40 0 BCABHN NCCn1ccn2nc(C3CC3)cc2c1=O ZINC000096517330 385255399 /nfs/dbraw/zinc/25/53/99/385255399.db2.gz QOPTVRUWYHNYPR-UHFFFAOYSA-N 0 3 218.260 0.332 40 0 BCABHN CNC(=O)c1cccc([C@@H]2CNCCN2C)c1 ZINC000072344375 385205022 /nfs/dbraw/zinc/20/50/22/385205022.db2.gz IZMJVZWTJQGDSJ-LBPRGKRZSA-N 0 3 233.315 0.622 40 0 BCABHN c1cnn(-c2cc(N3CCNCC3)ncn2)c1 ZINC000096517239 385314671 /nfs/dbraw/zinc/31/46/71/385314671.db2.gz MGRBYXCNADDQFP-UHFFFAOYSA-N 0 3 230.275 0.072 40 0 BCABHN Cc1n[nH]c(C)c1CN1CCC[C@@H](O)C1 ZINC000127978146 385317602 /nfs/dbraw/zinc/31/76/02/385317602.db2.gz OXZRTDZFPXKNBV-SNVBAGLBSA-N 0 3 209.293 0.983 40 0 BCABHN C[C@@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000052062648 385320305 /nfs/dbraw/zinc/32/03/05/385320305.db2.gz QZCUSDYHKLHGAI-SNVBAGLBSA-N 0 3 225.336 0.420 40 0 BCABHN C[C@H](O)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000157777223 385321596 /nfs/dbraw/zinc/32/15/96/385321596.db2.gz IWNQQQJVRACCMX-CMPLNLGQSA-N 0 3 240.347 0.748 40 0 BCABHN O=C1N[C@]2(CCCNC2)N=C1c1cccc(F)c1 ZINC000096516417 385258868 /nfs/dbraw/zinc/25/88/68/385258868.db2.gz QQGVTOIXOCPJSD-ZDUSSCGKSA-N 0 3 247.273 0.824 40 0 BCABHN Cc1cc(=O)n(C)c(N2CCC[C@H](N)C2)n1 ZINC000096516683 385262319 /nfs/dbraw/zinc/26/23/19/385262319.db2.gz FJHGDCAXJBTAGB-VIFPVBQESA-N 0 3 222.292 0.016 40 0 BCABHN CCS(=O)(=O)[C@@]1(CN)C[C@@H](CO)C[C@@H]1C ZINC000096532290 385282647 /nfs/dbraw/zinc/28/26/47/385282647.db2.gz HXNBCANTWUXVAR-LPEHRKFASA-N 0 3 235.349 0.157 40 0 BCABHN C[C@H](N)C(=O)N1CCn2c(Cl)cnc2C1 ZINC000409428931 385328599 /nfs/dbraw/zinc/32/85/99/385328599.db2.gz HAFMAPBPDQPWEB-LURJTMIESA-N 0 3 228.683 0.226 40 0 BCABHN CNCC(=O)N1CCc2c1cccc2CO ZINC000409428907 385327054 /nfs/dbraw/zinc/32/70/54/385327054.db2.gz GYJBQTMHYRNQJU-UHFFFAOYSA-N 0 3 220.272 0.287 40 0 BCABHN CNc1cc([C@@H]2CCCN(C(=O)CN)C2)ccn1 ZINC000257241259 385754786 /nfs/dbraw/zinc/75/47/86/385754786.db2.gz HXIVXYWLXOTCCN-LLVKDONJSA-N 0 3 248.330 0.788 40 0 BCABHN CC(=O)N1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000257285512 385762268 /nfs/dbraw/zinc/76/22/68/385762268.db2.gz PHMNDQJMHVNUEN-JTQLQIEISA-N 0 3 249.318 0.107 40 0 BCABHN COC(=O)c1cc(CN)cc(C(=O)OC)c1 ZINC000095756528 385883535 /nfs/dbraw/zinc/88/35/35/385883535.db2.gz VCPZJTZIGFWICK-UHFFFAOYSA-N 0 3 223.228 0.719 40 0 BCABHN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N ZINC000095932924 385889342 /nfs/dbraw/zinc/88/93/42/385889342.db2.gz MOKVJORVJPSZHK-HTQZYQBOSA-N 0 3 244.291 0.354 40 0 BCABHN COCCc1nsc(N2CCNCC2)n1 ZINC000216643262 385869886 /nfs/dbraw/zinc/86/98/86/385869886.db2.gz DHWNWFZBZKCEPX-UHFFFAOYSA-N 0 3 228.321 0.137 40 0 BCABHN O=C([C@@H]1CN[C@@H]2CCO[C@@H]2C1)N1CCCCO1 ZINC000306131266 385992673 /nfs/dbraw/zinc/99/26/73/385992673.db2.gz JZOIFQMKNWZJOM-HBNTYKKESA-N 0 3 240.303 0.307 40 0 BCABHN NC[C@@H]1CC(C(=O)Nc2ccccc2)=NO1 ZINC000222551638 386051559 /nfs/dbraw/zinc/05/15/59/386051559.db2.gz VOYPIWZAGOZGIH-VIFPVBQESA-N 0 3 219.244 0.729 40 0 BCABHN COC(=O)c1ccc(C2=NO[C@H](CN)C2)cc1 ZINC000222550118 386052020 /nfs/dbraw/zinc/05/20/20/386052020.db2.gz IQGJMEMYUYFVHE-JTQLQIEISA-N 0 3 234.255 0.925 40 0 BCABHN c1cncc(N2CCOC[C@]3(CNCCO3)C2)c1 ZINC000096229560 387021774 /nfs/dbraw/zinc/02/17/74/387021774.db2.gz HVQSFEFBRLIJHU-ZDUSSCGKSA-N 0 3 249.314 0.277 40 0 BCABHN [NH3+][C@H]1CCCN(c2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000575415180 387023207 /nfs/dbraw/zinc/02/32/07/387023207.db2.gz RIMPJYANVFMTKP-VIFPVBQESA-N 0 3 234.303 0.987 40 0 BCABHN c1cn(C[C@@H]2CC[C@H]3NCCO[C@@H]32)cn1 ZINC000096250342 387026853 /nfs/dbraw/zinc/02/68/53/387026853.db2.gz AIMYDOCETLBOBD-HBNTYKKESA-N 0 3 207.277 0.650 40 0 BCABHN Cc1nnc(NC(=O)[C@H](N)C(C)C)s1 ZINC000129897967 387146685 /nfs/dbraw/zinc/14/66/85/387146685.db2.gz GKUSXBMODMHSDJ-ZCFIWIBFSA-N 0 3 214.294 0.768 40 0 BCABHN NCc1ccc2c(n1)C[C@H]1CCO[C@H]1O2 ZINC000242592423 388399507 /nfs/dbraw/zinc/39/95/07/388399507.db2.gz OUBNTMJOKADXAZ-HQJQHLMTSA-N 0 3 206.245 0.838 40 0 BCABHN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN ZINC000040430762 388610143 /nfs/dbraw/zinc/61/01/43/388610143.db2.gz IIDAQWATZUXDNN-SECBINFHSA-N 0 3 236.271 0.244 40 0 BCABHN CCCCS(=O)(=O)N1CC(NC)C1 ZINC000397009993 388629333 /nfs/dbraw/zinc/62/93/33/388629333.db2.gz WBGIVZRPYSUANE-UHFFFAOYSA-N 0 3 206.311 0.020 40 0 BCABHN NC[C@@H]1OCCc2cn(CC3CC3)nc21 ZINC000306140097 388629539 /nfs/dbraw/zinc/62/95/39/388629539.db2.gz UJXVKRCRWMWRQB-JTQLQIEISA-N 0 3 207.277 0.866 40 0 BCABHN CCN(CC)CCNCc1cnc(N)nc1 ZINC000062718371 388656069 /nfs/dbraw/zinc/65/60/69/388656069.db2.gz WBMHMFJFLTXGRF-UHFFFAOYSA-N 0 3 223.324 0.490 40 0 BCABHN Nc1ncc(CNC[C@H]2CCCO2)cn1 ZINC000062717364 388656203 /nfs/dbraw/zinc/65/62/03/388656203.db2.gz HSTGKEYBRLMHSK-SECBINFHSA-N 0 3 208.265 0.327 40 0 BCABHN CC(=O)N(C[C@@H]1CCCN1CCO)C1CC1 ZINC000079416559 388747985 /nfs/dbraw/zinc/74/79/85/388747985.db2.gz ISPYYRIUPAZBNC-LBPRGKRZSA-N 0 3 226.320 0.454 40 0 BCABHN O=C([C@@H]1CCCN(C[C@@H]2CO2)C1)N1CCCC1 ZINC000095097812 388760508 /nfs/dbraw/zinc/76/05/08/388760508.db2.gz XWPLFLQCOWOYEH-VXGBXAGGSA-N 0 3 238.331 0.720 40 0 BCABHN O=c1[nH]c2ccccc2nc1N1CCNCC1 ZINC000011566909 132243435 /nfs/dbraw/zinc/24/34/35/132243435.db2.gz VBHKPSBTQOQTHK-UHFFFAOYSA-N 0 3 230.271 0.333 40 0 BCABHN NCc1cccnc1N1CCC[C@H](O)C1 ZINC000036796690 132342802 /nfs/dbraw/zinc/34/28/02/132342802.db2.gz FZYKYPATMXCHNR-JTQLQIEISA-N 0 3 207.277 0.501 40 0 BCABHN c1nc(NC2CC2)cc(N2CCNCC2)n1 ZINC000044029875 132353719 /nfs/dbraw/zinc/35/37/19/132353719.db2.gz BJPJYXXTOUXYMK-UHFFFAOYSA-N 0 3 219.292 0.461 40 0 BCABHN CCn1ccnc(N2CCC[C@H](N)C2)c1=O ZINC000061767847 132387192 /nfs/dbraw/zinc/38/71/92/132387192.db2.gz DEAYDHRBZLIDLX-VIFPVBQESA-N 0 3 222.292 0.191 40 0 BCABHN c1ccn(Cc2nnc3n2CCNCC3)c1 ZINC000306125768 135368773 /nfs/dbraw/zinc/36/87/73/135368773.db2.gz DBVSWUHIMNNZHY-UHFFFAOYSA-N 0 3 217.276 0.274 40 0 BCABHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019483715 171395409 /nfs/dbraw/zinc/39/54/09/171395409.db2.gz NIKPPDXTUAZYJI-GUBZILKMSA-N 0 3 214.309 0.655 40 0 BCABHN CC(C)(C)OC(=O)[C@@H](O)[C@@H]1CCCCN1 ZINC000072338671 166671341 /nfs/dbraw/zinc/67/13/41/166671341.db2.gz BBWPENHUNUJQKV-IUCAKERBSA-N 0 3 215.293 0.831 40 0 BCABHN CC(C)CNC1(Cc2cc(CO)on2)COC1 ZINC000067898068 167003637 /nfs/dbraw/zinc/00/36/37/167003637.db2.gz MOURCSATHSLZGF-UHFFFAOYSA-N 0 3 240.303 0.724 40 0 biogenic,in-vitro BCABHN COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)N ZINC000201904874 411143345 /nfs/dbraw/zinc/14/33/45/411143345.db2.gz KECGLEVGGMJPOS-RQJHMYQMSA-N 0 3 232.280 0.400 40 0 BCABHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCN)CC2=O ZINC000085385644 168014550 /nfs/dbraw/zinc/01/45/50/168014550.db2.gz ULORRIHBCFMNFT-QWHCGFSZSA-N 0 3 238.331 0.847 40 0 BCABHN CCN(C[C@H]1CCCCN1C(=O)CN)C(C)=O ZINC000079417311 169896807 /nfs/dbraw/zinc/89/68/07/169896807.db2.gz NTHKAKJQVBSOKT-LLVKDONJSA-N 0 3 241.335 0.195 40 0 BCABHN CCOC(=O)c1c[nH]c2ncnc(N)c12 ZINC000085220996 170290275 /nfs/dbraw/zinc/29/02/75/170290275.db2.gz YRKROIRANZPIQT-UHFFFAOYSA-N 0 3 206.205 0.717 40 0 BCABHN CCOC(=O)c1cnc2c(c1)CNCC2 ZINC000090470886 170302007 /nfs/dbraw/zinc/30/20/07/170302007.db2.gz IMXUZZSAUQLCFV-UHFFFAOYSA-N 0 3 206.245 0.904 40 0 BCABHN CCn1nccc1CNCCN1CCOCC1 ZINC000125078504 172271428 /nfs/dbraw/zinc/27/14/28/172271428.db2.gz NTJRDFONYJYQAJ-UHFFFAOYSA-N 0 3 238.335 0.325 40 0 BCABHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCO)C1 ZINC000079407860 172325352 /nfs/dbraw/zinc/32/53/52/172325352.db2.gz GSAYLPAXDXBYGG-JTQLQIEISA-N 0 3 244.335 0.920 40 0 BCABHN CN(C)C(=O)C1CCN(C[C@@H]2CO2)CC1 ZINC000095097800 172354681 /nfs/dbraw/zinc/35/46/81/172354681.db2.gz SERMXPHCPWCYFT-SNVBAGLBSA-N 0 3 212.293 0.185 40 0 BCABHN CN(C)C(=O)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000019745434 172385097 /nfs/dbraw/zinc/38/50/97/172385097.db2.gz KOVYJHLZPDOMMS-SNVBAGLBSA-N 0 3 236.319 0.330 40 0 BCABHN CN(Cc1cccc2c1OCCO2)C(=O)CN ZINC000079421445 172866077 /nfs/dbraw/zinc/86/60/77/172866077.db2.gz GXJUUUNJUQXUIQ-UHFFFAOYSA-N 0 3 236.271 0.375 40 0 BCABHN CN1CCCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407049 173005283 /nfs/dbraw/zinc/00/52/83/173005283.db2.gz UKPGQPMLRMFOQH-LLVKDONJSA-N 0 3 225.336 0.420 40 0 BCABHN CN1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104669 /nfs/dbraw/zinc/10/46/69/173104669.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 0 3 247.342 0.844 40 0 BCABHN CN1CCO[C@H](N2CCOCC2)C(C)(C)C1 ZINC000001580585 173109022 /nfs/dbraw/zinc/10/90/22/173109022.db2.gz BYVNEBGBBCYIQI-NSHDSACASA-N 0 3 228.336 0.633 40 0 BCABHN CN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccn1 ZINC000096184232 173135973 /nfs/dbraw/zinc/13/59/73/173135973.db2.gz ZAJRZGQTONVSQU-QWHCGFSZSA-N 0 3 245.326 0.929 40 0 BCABHN CNC(=O)[C@]1(C)CN(C2CCOCC2)CCO1 ZINC000072379748 173308768 /nfs/dbraw/zinc/30/87/68/173308768.db2.gz RUPTZFHFYSMQDX-LBPRGKRZSA-N 0 3 242.319 0.002 40 0 BCABHN CNCC(=O)N1CCC[C@@H]1c1cnccn1 ZINC000072383410 173326069 /nfs/dbraw/zinc/32/60/69/173326069.db2.gz KZPKSNKXUAIUPL-SNVBAGLBSA-N 0 3 220.276 0.360 40 0 BCABHN CNCC(=O)N1CCN(C2CCCC2)CC1 ZINC000052062695 173326585 /nfs/dbraw/zinc/32/65/85/173326585.db2.gz LZYVDPUAACIQAY-UHFFFAOYSA-N 0 3 225.336 0.293 40 0 BCABHN CNCC(=O)N1CCC[C@H](c2noc(C)n2)C1 ZINC000072361458 173326614 /nfs/dbraw/zinc/32/66/14/173326614.db2.gz ZQTDNHAHVUQFQD-VIFPVBQESA-N 0 3 238.291 0.303 40 0 BCABHN CNCC(=O)N1C[C@@H]2C[C@@H](OC)C[C@@H]2C1 ZINC000257273942 173327599 /nfs/dbraw/zinc/32/75/99/173327599.db2.gz NIVUKXQRYHYLEO-MYJAWHEDSA-N 0 3 212.293 0.089 40 0 BCABHN COC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000037266782 174026988 /nfs/dbraw/zinc/02/69/88/174026988.db2.gz OESTYTFSTAFELY-JTQLQIEISA-N 0 3 214.309 0.607 40 0 BCABHN COCCCNC(=O)CC1CCN(C)CC1 ZINC000074920898 174236796 /nfs/dbraw/zinc/23/67/96/174236796.db2.gz WAQVJMQSYWVHPI-UHFFFAOYSA-N 0 3 228.336 0.871 40 0 BCABHN COCCNCC(=O)N1CCC[C@H](C)C1 ZINC000004861390 174330926 /nfs/dbraw/zinc/33/09/26/174330926.db2.gz KXIMUAGTKZPUAB-JTQLQIEISA-N 0 3 214.309 0.481 40 0 BCABHN COCCN[C@@H](C)C(=O)N1CCCC1 ZINC000004969271 174337345 /nfs/dbraw/zinc/33/73/45/174337345.db2.gz GIZOZZUHUMQKPI-VIFPVBQESA-N 0 3 200.282 0.233 40 0 BCABHN COc1cccc(NS(=O)(=O)CCN)c1 ZINC000011570268 175278975 /nfs/dbraw/zinc/27/89/75/175278975.db2.gz CDEOKYQIAXRYMP-UHFFFAOYSA-N 0 3 230.289 0.396 40 0 BCABHN COc1ccc(/C=C/C(=O)N2CC(N)C2)cc1 ZINC000087584050 487472186 /nfs/dbraw/zinc/47/21/86/487472186.db2.gz JDFOXHDMKLXKHL-QPJJXVBHSA-N 0 3 232.283 0.878 40 0 BCABHN c1ccc(O[C@@H]2CCOC3(CNC3)C2)nc1 ZINC000253596849 526488285 /nfs/dbraw/zinc/48/82/85/526488285.db2.gz WLDHTDCESDDMFM-SNVBAGLBSA-N 0 3 220.272 0.981 40 0 BCABHN CCNc1cccnc1N1CCNCC1 ZINC000026898674 535526650 /nfs/dbraw/zinc/52/66/50/535526650.db2.gz ACCRDWKRCKTUDR-UHFFFAOYSA-N 0 3 206.293 0.923 40 0 BCABHN CCc1cc(N2CCNCC2)nc(C)n1 ZINC000045950757 536146505 /nfs/dbraw/zinc/14/65/05/536146505.db2.gz JFSNZVXJPPURTL-UHFFFAOYSA-N 0 3 206.293 0.757 40 0 BCABHN COCc1cc(N2CCNCC2)nc(C)n1 ZINC000045950765 536726478 /nfs/dbraw/zinc/72/64/78/536726478.db2.gz AIVVFVDWRPJQTA-UHFFFAOYSA-N 0 3 222.292 0.341 40 0 BCABHN O=c1cc(CN2CCCC2)nc2n1CCCNC2 ZINC000096068101 631644163 /nfs/dbraw/zinc/64/41/63/631644163.db2.gz QAPPBYWVFBAELT-UHFFFAOYSA-N 0 3 248.330 0.332 40 0 BCABHN COC(=O)c1ccc(N2CCNCC2)nc1C ZINC000072224613 259322218 /nfs/dbraw/zinc/32/22/18/259322218.db2.gz VXRJKKLWBGFONG-UHFFFAOYSA-N 0 3 235.287 0.586 40 0 BCABHN COC(=O)CC(CC(=O)OC)N1CC=CC1 ZINC000031671755 343222534 /nfs/dbraw/zinc/22/25/34/343222534.db2.gz VBCXOBJMYMVYPW-UHFFFAOYSA-N 0 3 227.260 0.353 40 0 BCABHN COC(=O)[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1O ZINC000260858469 343245829 /nfs/dbraw/zinc/24/58/29/343245829.db2.gz WYULCMDCPPGORM-AXFHLTTASA-N 0 3 243.303 0.021 40 0 BCABHN CC(C)N(Cc1ccncc1)C(=O)CN ZINC000076584146 187261981 /nfs/dbraw/zinc/26/19/81/187261981.db2.gz GBKDVMNUQCVMFT-UHFFFAOYSA-N 0 3 207.277 0.777 40 0 BCABHN COc1ccc(CC(=O)NCCN(C)C)cc1 ZINC000047653161 343564525 /nfs/dbraw/zinc/56/45/25/343564525.db2.gz KZIWAPFXMWXYKS-UHFFFAOYSA-N 0 3 236.315 0.916 40 0 BCABHN CC1(C)CN(C(=O)[C@H]2CCCCN2)C[C@@H]1CO ZINC000409428117 343802522 /nfs/dbraw/zinc/80/25/22/343802522.db2.gz FYDIJWNFHBLMOX-GHMZBOCLSA-N 0 3 240.347 0.605 40 0 BCABHN CC(C)N(C(=O)Cn1cc(CN)nn1)C(C)C ZINC000050224720 343782858 /nfs/dbraw/zinc/78/28/58/343782858.db2.gz QGQZCODQXRQQNZ-UHFFFAOYSA-N 0 3 239.323 0.382 40 0 BCABHN CC1(C)CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1CO ZINC000409428118 343802692 /nfs/dbraw/zinc/80/26/92/343802692.db2.gz FYDIJWNFHBLMOX-MNOVXSKESA-N 0 3 240.347 0.605 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC[C@H](F)C1 ZINC000146268600 343789027 /nfs/dbraw/zinc/78/90/27/343789027.db2.gz GXDUSAKHZPJHBB-DTWKUNHWSA-N 0 3 200.257 0.699 40 0 BCABHN CNCC(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000309519674 343790539 /nfs/dbraw/zinc/79/05/39/343790539.db2.gz SXVMOIGTRBRRAS-HTQZYQBOSA-N 0 3 218.247 0.710 40 0 BCABHN C[C@H](C(=O)N1CC(N)C1)c1ccccc1 ZINC000235430841 343795470 /nfs/dbraw/zinc/79/54/70/343795470.db2.gz DORHCOUHXKJEBP-VIFPVBQESA-N 0 3 204.273 0.960 40 0 BCABHN CC(=O)N1CCCC[C@H]1Cn1cc(CN)nn1 ZINC000409427248 343800515 /nfs/dbraw/zinc/80/05/15/343800515.db2.gz VJPBBGHYRXWNTE-NSHDSACASA-N 0 3 237.307 0.138 40 0 BCABHN COC[C@H]1CN(C(=O)[C@@H](C)N)CC1(C)C ZINC000409427325 343800705 /nfs/dbraw/zinc/80/07/05/343800705.db2.gz DSXPFAGRLAWYLK-RKDXNWHRSA-N 0 3 214.309 0.465 40 0 BCABHN CC(C)C[C@@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409427747 343801539 /nfs/dbraw/zinc/80/15/39/343801539.db2.gz FHJHSVZPBVKVDE-NXEZZACHSA-N 0 3 229.324 0.671 40 0 BCABHN CCN(CC(=N)NO)[C@@H]1CCSC1 ZINC000405338084 343812025 /nfs/dbraw/zinc/81/20/25/343812025.db2.gz BFGUHUUJMYUCHK-SSDOTTSWSA-N 0 3 203.311 0.770 40 0 BCABHN COc1ccc(C(=O)N2CC(N)C2)cc1C ZINC000409422615 343813830 /nfs/dbraw/zinc/81/38/30/343813830.db2.gz GTBFFZKHBOLMFA-UHFFFAOYSA-N 0 3 220.272 0.787 40 0 BCABHN [NH3+]C1CCN(c2nc(C3CC3)cc(=O)[n-]2)CC1 ZINC000409423208 343814878 /nfs/dbraw/zinc/81/48/78/343814878.db2.gz MGPHVZMCGCTCKK-UHFFFAOYSA-N 0 3 234.303 0.987 40 0 BCABHN CCN1CCCC[C@H]1Cn1cc(C=O)nn1 ZINC000409423405 343815222 /nfs/dbraw/zinc/81/52/22/343815222.db2.gz BPPOLMZTVXAYKR-NSHDSACASA-N 0 3 222.292 0.965 40 0 BCABHN c1ccn(-c2nnc(N3CCNCC3)s2)c1 ZINC000409423908 343816184 /nfs/dbraw/zinc/81/61/84/343816184.db2.gz VWONYLGDOMRUJL-UHFFFAOYSA-N 0 3 235.316 0.738 40 0 BCABHN COC(=O)[C@H]1CN(CC2CC2)CC[C@H]1O ZINC000409423754 343816373 /nfs/dbraw/zinc/81/63/73/343816373.db2.gz USQIXVGBMPVIKR-VHSXEESVSA-N 0 3 213.277 0.252 40 0 BCABHN C[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000409425203 343818689 /nfs/dbraw/zinc/81/86/89/343818689.db2.gz FKRIKPGIOWNFJL-SRVKXCTJSA-N 0 3 240.347 0.748 40 0 BCABHN O=C([C@@H]1CCCCN1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409425484 343819172 /nfs/dbraw/zinc/81/91/72/343819172.db2.gz GDXZMHHPUWMZLH-AXFHLTTASA-N 0 3 224.304 0.233 40 0 BCABHN O=C([C@@H]1CCCCN1)N1C[C@H]2COC[C@@H]2C1 ZINC000409425485 343819266 /nfs/dbraw/zinc/81/92/66/343819266.db2.gz GDXZMHHPUWMZLH-DCAQKATOSA-N 0 3 224.304 0.233 40 0 BCABHN CNCC(=O)N1CC(F)(F)C[C@@H]1COC ZINC000409425580 343819667 /nfs/dbraw/zinc/81/96/67/343819667.db2.gz AUZFPQIQPZZTMD-SSDOTTSWSA-N 0 3 222.235 0.088 40 0 BCABHN C[C@@H](N)C(=O)N1C[C@H](CO)C2(CCCC2)C1 ZINC000409425543 343819849 /nfs/dbraw/zinc/81/98/49/343819849.db2.gz AQBIFZYZNZRPBL-NXEZZACHSA-N 0 3 226.320 0.345 40 0 BCABHN CCC(=O)N1CCC[C@@H]1Cn1cc(CN)nn1 ZINC000409426254 343822113 /nfs/dbraw/zinc/82/21/13/343822113.db2.gz PHZIBFWASQXAJH-SNVBAGLBSA-N 0 3 237.307 0.138 40 0 BCABHN CCOC[C@H]1CCCN1CC(=N)NO ZINC000409431609 343824197 /nfs/dbraw/zinc/82/41/97/343824197.db2.gz SRPRIFQRUPDYOS-MRVPVSSYSA-N 0 3 201.270 0.443 40 0 BCABHN CNCC(=O)N1CC[C@H](O)[C@H](CC(C)C)C1 ZINC000409432285 343826170 /nfs/dbraw/zinc/82/61/70/343826170.db2.gz KXRIUKOJFHEQAM-MNOVXSKESA-N 0 3 228.336 0.461 40 0 BCABHN N=C(CN1C[C@@H](CO)C2(C1)CCCCC2)NO ZINC000409430044 343807225 /nfs/dbraw/zinc/80/72/25/343807225.db2.gz IELOBALEVUBDBN-JTQLQIEISA-N 0 3 241.335 0.817 40 0 BCABHN N=C(CN1C[C@H](CO)C2(C1)CCCCC2)NO ZINC000409430045 343807229 /nfs/dbraw/zinc/80/72/29/343807229.db2.gz IELOBALEVUBDBN-SNVBAGLBSA-N 0 3 241.335 0.817 40 0 BCABHN CCC[C@@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409431124 343809654 /nfs/dbraw/zinc/80/96/54/343809654.db2.gz JLOMPFKYXNLAJN-BDAKNGLRSA-N 0 3 215.297 0.425 40 0 BCABHN COC[C@@]12CN(C(=O)CN)C[C@@H]1CCCC2 ZINC000409431162 343809694 /nfs/dbraw/zinc/80/96/94/343809694.db2.gz JNYRAWPLYWUZDL-CMPLNLGQSA-N 0 3 226.320 0.610 40 0 BCABHN N=C(CN1CCC[C@]2(CCCCO2)C1)NO ZINC000409431102 343809764 /nfs/dbraw/zinc/80/97/64/343809764.db2.gz RWWVJQBEUVUYNW-LLVKDONJSA-N 0 3 227.308 0.978 40 0 BCABHN CNCC(=O)N1CC[C@@](OC)(C(F)(F)F)C1 ZINC000409432973 343828484 /nfs/dbraw/zinc/82/84/84/343828484.db2.gz LXUWZTNNZRGUEK-QMMMGPOBSA-N 0 3 240.225 0.386 40 0 BCABHN COC[C@H]1CN(C(=O)CN)C[C@@H]1C(F)(F)F ZINC000409435190 343832679 /nfs/dbraw/zinc/83/26/79/343832679.db2.gz STXGONHFXQEJQZ-RQJHMYQMSA-N 0 3 240.225 0.228 40 0 BCABHN N=C(CN(C1CC1)[C@@H]1CCSC1)NO ZINC000409435417 343833159 /nfs/dbraw/zinc/83/31/59/343833159.db2.gz UMOXIUHQIZXPSP-MRVPVSSYSA-N 0 3 215.322 0.912 40 0 BCABHN CO[C@H]1CCO[C@@]2(CCN(CCO)C2)C1 ZINC000409435055 343835454 /nfs/dbraw/zinc/83/54/54/343835454.db2.gz SCTJRWBKJZWMRO-QWRGUYRKSA-N 0 3 215.293 0.249 40 0 BCABHN COC[C@H]1CN(C(=O)CN)CC12CCCC2 ZINC000409435980 343836869 /nfs/dbraw/zinc/83/68/69/343836869.db2.gz XOIMXIPZWGRJSS-SNVBAGLBSA-N 0 3 226.320 0.610 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409436223 343837858 /nfs/dbraw/zinc/83/78/58/343837858.db2.gz YTLQDLMHRSKIDT-CMPLNLGQSA-N 0 3 226.320 0.217 40 0 BCABHN Cc1nc(CN)cc(-c2cnccn2)n1 ZINC000409437211 343842698 /nfs/dbraw/zinc/84/26/98/343842698.db2.gz DONUOKPJJCPVIC-UHFFFAOYSA-N 0 3 201.233 0.701 40 0 BCABHN COC[C@H]1CN(C)C2(CN(c3ncccn3)C2)C1 ZINC000585093984 344130396 /nfs/dbraw/zinc/13/03/96/344130396.db2.gz WDXXMDHURFAKCZ-LLVKDONJSA-N 0 3 248.330 0.634 40 0 BCABHN O=c1[nH]c(N2CCNCC2)nc2ncccc12 ZINC000256050821 344144973 /nfs/dbraw/zinc/14/49/73/344144973.db2.gz GQEPJPLERPGCRG-UHFFFAOYSA-N 0 3 231.259 0.140 40 0 BCABHN Cc1ccnc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000585181332 344277673 /nfs/dbraw/zinc/27/76/73/344277673.db2.gz GITBBAZEVZEXME-VIFPVBQESA-N 0 3 220.276 0.060 40 0 BCABHN NC1CN(Cc2cn3ccccc3n2)C1 ZINC000082595439 345909968 /nfs/dbraw/zinc/90/99/68/345909968.db2.gz NVLGSPYCOMXJSH-UHFFFAOYSA-N 0 3 202.261 0.477 40 0 BCABHN COc1cccc(C(=O)N2CC(N)C2)c1 ZINC000082590373 345910414 /nfs/dbraw/zinc/91/04/14/345910414.db2.gz UFDAMYMDQJIRGV-UHFFFAOYSA-N 0 3 206.245 0.478 40 0 BCABHN NC1CN(Cc2ccc3c(c2)CCO3)C1 ZINC000083634784 345919325 /nfs/dbraw/zinc/91/93/25/345919325.db2.gz QDKLICOYUDCGPU-UHFFFAOYSA-N 0 3 204.273 0.764 40 0 BCABHN NC1CN(CCOc2ccc(F)cc2)C1 ZINC000083636119 345919359 /nfs/dbraw/zinc/91/93/59/345919359.db2.gz RCLUATBQFHKQKY-UHFFFAOYSA-N 0 3 210.252 0.847 40 0 BCABHN Cc1cc(NC2CC2)nc(N2CCNCC2)n1 ZINC000084518707 345923520 /nfs/dbraw/zinc/92/35/20/345923520.db2.gz LAJOANJLJQEGMW-UHFFFAOYSA-N 0 3 233.319 0.769 40 0 BCABHN Cc1nc(N)cc(N2CCC(O)CC2)n1 ZINC000087806289 345941824 /nfs/dbraw/zinc/94/18/24/345941824.db2.gz FTVRHMVDNAQPST-UHFFFAOYSA-N 0 3 208.265 0.328 40 0 BCABHN Cc1nc(N)cc(N2CCC[C@@H](O)C2)n1 ZINC000087811598 345942405 /nfs/dbraw/zinc/94/24/05/345942405.db2.gz LQRZQCNGFURWQH-MRVPVSSYSA-N 0 3 208.265 0.328 40 0 BCABHN Cc1cccc(NC(=O)C(=O)NCCN(C)C)c1 ZINC000005183988 179124814 /nfs/dbraw/zinc/12/48/14/179124814.db2.gz PTNKFYVOCVKJCL-UHFFFAOYSA-N 0 3 249.314 0.611 40 0 BCABHN COC(=O)[C@@H](CN)c1ccc(OC)c(OC)c1 ZINC000005361243 348775173 /nfs/dbraw/zinc/77/51/73/348775173.db2.gz VZMZQIOEJUSLIX-VIFPVBQESA-N 0 3 239.271 0.919 40 0 BCABHN OCCNCc1cnc(N2CCCC2)nc1 ZINC000062717788 259407956 /nfs/dbraw/zinc/40/79/56/259407956.db2.gz IIGLOKKALGHMBQ-UHFFFAOYSA-N 0 3 222.292 0.159 40 0 BCABHN Cc1nccnc1[C@H]1CCCN(CCO)C1 ZINC000072381322 180283226 /nfs/dbraw/zinc/28/32/26/180283226.db2.gz SLIWTIQJEJLAMK-NSHDSACASA-N 0 3 221.304 0.957 40 0 BCABHN CCCN1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422527 350473831 /nfs/dbraw/zinc/47/38/31/350473831.db2.gz HWSPCANYLIKTTN-DTWKUNHWSA-N 0 3 201.266 0.252 40 0 BCABHN CCCN1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422529 350474462 /nfs/dbraw/zinc/47/44/62/350474462.db2.gz HWSPCANYLIKTTN-RKDXNWHRSA-N 0 3 201.266 0.252 40 0 BCABHN CCN(C(=O)CNC)C1CCOCC1 ZINC000409425238 350476979 /nfs/dbraw/zinc/47/69/79/350476979.db2.gz ABWVJIQWZGAFSB-UHFFFAOYSA-N 0 3 200.282 0.233 40 0 BCABHN N[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000062209367 191136367 /nfs/dbraw/zinc/13/63/67/191136367.db2.gz BIWGSXQRPDRLJY-CMPLNLGQSA-N 0 3 217.272 0.845 40 0 BCABHN O=c1nc[nH]c2sc3c(c21)CCNC3 ZINC000019767123 351928505 /nfs/dbraw/zinc/92/85/05/351928505.db2.gz NNKMHJABJHDORH-UHFFFAOYSA-N 0 3 207.258 0.630 40 0 BCABHN CC(C)N1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000036189974 188233417 /nfs/dbraw/zinc/23/34/17/188233417.db2.gz LJPRXIHSKAHUJG-LBPRGKRZSA-N 0 3 239.363 0.681 40 0 BCABHN CN(C)CCO[C@@H]1OCN(C)CC1(C)C ZINC000001568624 188273831 /nfs/dbraw/zinc/27/38/31/188273831.db2.gz BGECJYXYCYDGBG-SNVBAGLBSA-N 0 3 216.325 0.836 40 0 BCABHN CN1CCC[C@@H](N(C(=O)CN)C2CC2)C1 ZINC000079407040 188291346 /nfs/dbraw/zinc/29/13/46/188291346.db2.gz FOVDHTDXRIUBJD-SNVBAGLBSA-N 0 3 211.309 0.030 40 0 BCABHN CN1CCC[C@@H](CNC(=S)NC2CC2)C1 ZINC000009876502 188337565 /nfs/dbraw/zinc/33/75/65/188337565.db2.gz LQAYTLJZUGVEFA-VIFPVBQESA-N 0 3 227.377 0.955 40 0 BCABHN CC(C)[C@H](N)C(=O)N1CCCN(C)CC1 ZINC000020217837 188354071 /nfs/dbraw/zinc/35/40/71/188354071.db2.gz KPGZIIXNYJNOTA-JTQLQIEISA-N 0 3 213.325 0.134 40 0 BCABHN NC(=O)C1(NCc2ccncc2)CCCC1 ZINC000096102455 181215026 /nfs/dbraw/zinc/21/50/26/181215026.db2.gz LOTULFQAOSFNQC-UHFFFAOYSA-N 0 3 219.288 0.969 40 0 BCABHN C[C@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000019687620 356483815 /nfs/dbraw/zinc/48/38/15/356483815.db2.gz QZCUSDYHKLHGAI-JTQLQIEISA-N 0 3 225.336 0.420 40 0 BCABHN COc1c[nH]c(CN2CCCC2)cc1=O ZINC000026423562 356669434 /nfs/dbraw/zinc/66/94/34/356669434.db2.gz VFPUGYFCYMDMCS-UHFFFAOYSA-N 0 3 208.261 0.979 40 0 BCABHN COC(=O)N1CC[C@@](C)(O)[C@H](N(C)C)C1 ZINC000685936473 538757788 /nfs/dbraw/zinc/75/77/88/538757788.db2.gz ZRYJKEYGRUAICD-PSASIEDQSA-N 0 3 216.281 0.140 40 0 BCABHN NCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000019519602 181350890 /nfs/dbraw/zinc/35/08/90/181350890.db2.gz ICQYRHDWVYSXNL-UHFFFAOYSA-N 0 3 247.342 0.726 40 0 BCABHN NCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404072 181353720 /nfs/dbraw/zinc/35/37/20/181353720.db2.gz TWDBPFSITKTFCX-CYBMUJFWSA-N 0 3 247.342 0.726 40 0 BCABHN CS(=O)(=O)NCCCN1CCCCCC1 ZINC000010111245 368317557 /nfs/dbraw/zinc/31/75/57/368317557.db2.gz ZVQIDXHEBJKFDT-UHFFFAOYSA-N 0 3 234.365 0.802 40 0 BCABHN CN1C[C@H]2c3ccccc3N[C@H]2[C@@H](O)C1 ZINC000013407357 368319594 /nfs/dbraw/zinc/31/95/94/368319594.db2.gz LZVSIYWYYWXNDN-ZMLRMANQSA-N 0 3 204.273 0.871 40 0 BCABHN O=S1(=O)CCC[C@@]2(CCCCN2)C1 ZINC000075128350 368336635 /nfs/dbraw/zinc/33/66/35/368336635.db2.gz ZWBOZCNQTBOOSI-VIFPVBQESA-N 0 3 203.307 0.707 40 0 BCABHN CN1CC[C@H](c2[nH]nc3nccnc32)C1 ZINC000205676873 368356534 /nfs/dbraw/zinc/35/65/34/368356534.db2.gz SWLPXHSDALGWRT-ZETCQYMHSA-N 0 3 203.249 0.772 40 0 BCABHN NCC(=O)N1CCC(Cc2ccncc2)CC1 ZINC000205690298 368358763 /nfs/dbraw/zinc/35/87/63/368358763.db2.gz RUAAPBZUSIXVLT-UHFFFAOYSA-N 0 3 233.315 0.821 40 0 BCABHN CN(C)C(=O)[C@@]1(c2ccncc2)CCCN1 ZINC000205705966 368359900 /nfs/dbraw/zinc/35/99/00/368359900.db2.gz LTRQMKWBQPVORB-LBPRGKRZSA-N 0 3 219.288 0.749 40 0 BCABHN OCCN1CCC[C@@H]1c1ccnc2nccn21 ZINC000257281636 183074233 /nfs/dbraw/zinc/07/42/33/183074233.db2.gz OQFJGAWWTJXCSE-SNVBAGLBSA-N 0 3 232.287 0.859 40 0 BCABHN c1c2c(nnc1OC[C@H]1CCCO1)CCNC2 ZINC000328579736 183321171 /nfs/dbraw/zinc/32/11/71/183321171.db2.gz YXNFDZISLOKKRV-SNVBAGLBSA-N 0 3 235.287 0.680 40 0 BCABHN CC[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1O ZINC000409434946 383841521 /nfs/dbraw/zinc/84/15/21/383841521.db2.gz RKTYEFUBGVNWNN-UTUOFQBUSA-N 0 3 240.347 0.748 40 0 BCABHN CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1O ZINC000409434944 383842752 /nfs/dbraw/zinc/84/27/52/383842752.db2.gz RKTYEFUBGVNWNN-GRYCIOLGSA-N 0 3 240.347 0.748 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCCN(CCO)C2)C1 ZINC000409434132 383830019 /nfs/dbraw/zinc/83/00/19/383830019.db2.gz ODFDTEUBQDAUTN-VXGBXAGGSA-N 0 3 229.320 0.639 40 0 BCABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCN(C)C1 ZINC000079407219 384134888 /nfs/dbraw/zinc/13/48/88/384134888.db2.gz QOTRYDVMFBFIOH-VHSXEESVSA-N 0 3 213.325 0.276 40 0 BCABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCN(C)C1 ZINC000079407222 384136004 /nfs/dbraw/zinc/13/60/04/384136004.db2.gz QOTRYDVMFBFIOH-UWVGGRQHSA-N 0 3 213.325 0.276 40 0 BCABHN CSc1nccnc1CN(C)C(=O)[C@H](C)N ZINC000079435721 384146639 /nfs/dbraw/zinc/14/66/39/384146639.db2.gz ZIWKGYNGRRJNIT-ZETCQYMHSA-N 0 3 240.332 0.504 40 0 BCABHN C[C@H](N)C(=O)N(C)CC(=O)c1nccs1 ZINC000079436349 384146829 /nfs/dbraw/zinc/14/68/29/384146829.db2.gz KBZJYABQPDGHKD-LURJTMIESA-N 0 3 227.289 0.131 40 0 BCABHN CCN(C(C)=O)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079417340 384139599 /nfs/dbraw/zinc/13/95/99/384139599.db2.gz CGDQNLXSRHEOBQ-MNOVXSKESA-N 0 3 241.335 0.241 40 0 BCABHN CC(=O)N(C[C@@H]1CCCN1C(=O)CN)C(C)C ZINC000079417352 384139707 /nfs/dbraw/zinc/13/97/07/384139707.db2.gz MZLVFFVVKUZUBT-NSHDSACASA-N 0 3 241.335 0.193 40 0 BCABHN CCN(C[C@@H]1CCCN(C(=O)CN)C1)C(C)=O ZINC000079417315 384139882 /nfs/dbraw/zinc/13/98/82/384139882.db2.gz BOTORAFDGUFMEX-NSHDSACASA-N 0 3 241.335 0.052 40 0 BCABHN CCN(C[C@H]1CCCCN1CCO)C(C)=O ZINC000079416450 384140435 /nfs/dbraw/zinc/14/04/35/384140435.db2.gz XXNFYRZQTKAGST-GFCCVEGCSA-N 0 3 228.336 0.702 40 0 BCABHN CCN(C(C)=O)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417625 384140526 /nfs/dbraw/zinc/14/05/26/384140526.db2.gz WQLNIFNYPOYERF-GXSJLCMTSA-N 0 3 241.335 0.193 40 0 BCABHN Cc1ccnc(C2CCN(C(=O)CN)CC2)n1 ZINC000072361438 384214267 /nfs/dbraw/zinc/21/42/67/384214267.db2.gz LBHVAQKGVAWVOA-UHFFFAOYSA-N 0 3 234.303 0.450 40 0 BCABHN C[C@@]1(C(N)=O)CN(CC2CCC2)CCO1 ZINC000072379912 384218201 /nfs/dbraw/zinc/21/82/01/384218201.db2.gz PPPYRPLFBYGQRR-NSHDSACASA-N 0 3 212.293 0.363 40 0 BCABHN CNc1cncc([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000072383388 384220504 /nfs/dbraw/zinc/22/05/04/384220504.db2.gz VXLHXOIFWKAZGE-SECBINFHSA-N 0 3 249.318 0.183 40 0 BCABHN CN1CCC(CC(=O)N2CCOCC2)CC1 ZINC000074920899 384311863 /nfs/dbraw/zinc/31/18/63/384311863.db2.gz XFXAZPUYISTCEP-UHFFFAOYSA-N 0 3 226.320 0.577 40 0 BCABHN O=S(=O)(Cc1ccccc1)C1CNC1 ZINC000095908504 384405514 /nfs/dbraw/zinc/40/55/14/384405514.db2.gz GXBRRZDFAMZYIY-UHFFFAOYSA-N 0 3 211.286 0.573 40 0 BCABHN NCCn1cnc(C2CCCC2)cc1=O ZINC000095908452 384405672 /nfs/dbraw/zinc/40/56/72/384405672.db2.gz KJWPZJZWKKNCJY-UHFFFAOYSA-N 0 3 207.277 0.860 40 0 BCABHN Cc1cnc(N2C[C@@H]3CN(C)C[C@@H]32)nc1 ZINC000096250893 384444778 /nfs/dbraw/zinc/44/47/78/384444778.db2.gz YPZQFDAEOHZAJK-UWVGGRQHSA-N 0 3 204.277 0.535 40 0 BCABHN Cc1nc(N2CCOCC2)nc2c1CN(C)CC2 ZINC000096253881 384445601 /nfs/dbraw/zinc/44/56/01/384445601.db2.gz QDLGHNAOVDJBBM-UHFFFAOYSA-N 0 3 248.330 0.610 40 0 BCABHN O=C(C1CCCC1)N1CCOC2(CNC2)C1 ZINC000096051003 384428006 /nfs/dbraw/zinc/42/80/06/384428006.db2.gz QSDWGAKILSQVGU-UHFFFAOYSA-N 0 3 224.304 0.377 40 0 BCABHN O=C([C@@H]1CCCO1)N1CC2(C1)CCCCN2 ZINC000096050991 384429773 /nfs/dbraw/zinc/42/97/73/384429773.db2.gz WZURRHGNQNJETM-JTQLQIEISA-N 0 3 224.304 0.520 40 0 BCABHN CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000096055813 384430371 /nfs/dbraw/zinc/43/03/71/384430371.db2.gz MRLBHHLYDYKXFP-MNOVXSKESA-N 0 3 244.360 0.505 40 0 BCABHN Cn1ncc(CN)c1COC[C@@H]1CCCO1 ZINC000408716177 384701092 /nfs/dbraw/zinc/70/10/92/384701092.db2.gz JPWHOHFUHZIKRY-JTQLQIEISA-N 0 3 225.292 0.574 40 0 BCABHN [NH3+][C@H]1CCN(c2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000057342898 384888011 /nfs/dbraw/zinc/88/80/11/384888011.db2.gz BNYKSZCHZLSZEQ-YFKPBYRVSA-N 0 3 248.208 0.326 40 0 BCABHN OCCc1ccc(N2CCNCC2)nc1 ZINC000072225520 385112277 /nfs/dbraw/zinc/11/22/77/385112277.db2.gz UMGCJMKXGNYXDI-UHFFFAOYSA-N 0 3 207.277 0.026 40 0 BCABHN C[C@H](NC[C@@H]1CCCO1)C(=O)N1CCOCC1 ZINC000004969150 385182314 /nfs/dbraw/zinc/18/23/14/385182314.db2.gz GFPYYFCRILKXIK-QWRGUYRKSA-N 0 3 242.319 0.002 40 0 BCABHN c1ccc2nc(OC3CNC3)cnc2c1 ZINC000062810036 385190661 /nfs/dbraw/zinc/19/06/61/385190661.db2.gz LXYMUVOVCQIIOS-UHFFFAOYSA-N 0 3 201.229 0.980 40 0 BCABHN O=c1c2c(ncn1Cc1ccccc1)CCNC2 ZINC000096516468 385257627 /nfs/dbraw/zinc/25/76/27/385257627.db2.gz OVONWSREUUOPIU-UHFFFAOYSA-N 0 3 241.294 0.937 40 0 BCABHN Cn1c(=O)c2c(nc1N1CCNCC1)CCCC2 ZINC000096516830 385253523 /nfs/dbraw/zinc/25/35/23/385253523.db2.gz BAAXXAHPILRFPA-UHFFFAOYSA-N 0 3 248.330 0.069 40 0 BCABHN Cc1cc(=O)n(C)c(N2CCC[C@@H](N)C2)n1 ZINC000096516685 385262376 /nfs/dbraw/zinc/26/23/76/385262376.db2.gz FJHGDCAXJBTAGB-SECBINFHSA-N 0 3 222.292 0.016 40 0 BCABHN CCS(=O)(=O)[C@@]1(CN)C[C@H](CO)C[C@@H]1C ZINC000096532286 385281727 /nfs/dbraw/zinc/28/17/27/385281727.db2.gz HXNBCANTWUXVAR-IVZWLZJFSA-N 0 3 235.349 0.157 40 0 BCABHN CCS(=O)(=O)C[C@@H](CN)c1ccco1 ZINC000096532857 385285644 /nfs/dbraw/zinc/28/56/44/385285644.db2.gz BLTYPUXKHNOZCH-MRVPVSSYSA-N 0 3 217.290 0.757 40 0 BCABHN Cc1nc2sccc2c(=O)n1CCN ZINC000409422649 385330823 /nfs/dbraw/zinc/33/08/23/385330823.db2.gz JETBPQUAEQKGGK-UHFFFAOYSA-N 0 3 209.274 0.725 40 0 BCABHN Cc1nc2ccccn2c1C(=O)N1CC(N)C1 ZINC000409424665 385333777 /nfs/dbraw/zinc/33/37/77/385333777.db2.gz XGPHOTDNEBFKBK-UHFFFAOYSA-N 0 3 230.271 0.426 40 0 BCABHN CNCC(=O)N1CCC(CCF)CC1 ZINC000409428976 385328498 /nfs/dbraw/zinc/32/84/98/385328498.db2.gz NKNLMFYDVFSKHI-UHFFFAOYSA-N 0 3 202.273 0.804 40 0 BCABHN CC(C)Nc1ncc(CNCCO)cn1 ZINC000062717598 385717116 /nfs/dbraw/zinc/71/71/16/385717116.db2.gz YHNASDUXIMQNOZ-UHFFFAOYSA-N 0 3 210.281 0.379 40 0 BCABHN CNc1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000062717442 385715348 /nfs/dbraw/zinc/71/53/48/385715348.db2.gz YFHSHRNRLFLXCV-JTQLQIEISA-N 0 3 222.292 0.787 40 0 BCABHN CC[C@@H](CO)NCc1cnc(NC)nc1 ZINC000062717440 385715481 /nfs/dbraw/zinc/71/54/81/385715481.db2.gz XDVZJQBVLDVZGS-VIFPVBQESA-N 0 3 210.281 0.379 40 0 BCABHN CO[C@@H]1CC[C@H]2N(CC(N)=O)CC[C@@]2(C)C1 ZINC000257292899 385760279 /nfs/dbraw/zinc/76/02/79/385760279.db2.gz QNKHFSJFFDWPLS-FOGDFJRCSA-N 0 3 226.320 0.751 40 0 BCABHN Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000257326187 385764260 /nfs/dbraw/zinc/76/42/60/385764260.db2.gz WWFBLCKXKHMDTG-LLVKDONJSA-N 0 3 238.291 0.526 40 0 BCABHN NC[C@H]1CCN(c2ccccc2F)S1(=O)=O ZINC000222542236 386051468 /nfs/dbraw/zinc/05/14/68/386051468.db2.gz KESPGFCLSAJWCM-MRVPVSSYSA-N 0 3 244.291 0.693 40 0 BCABHN NC[C@@H]1CC(C(=O)Nc2ccc(F)cc2)=NO1 ZINC000222551926 386052167 /nfs/dbraw/zinc/05/21/67/386052167.db2.gz NHIMWLJEPSWQOD-VIFPVBQESA-N 0 3 237.234 0.868 40 0 BCABHN NC[C@@H]1CCN(c2cccc(F)c2)S1(=O)=O ZINC000222542326 386052536 /nfs/dbraw/zinc/05/25/36/386052536.db2.gz JORXMJOWGXUALQ-JTQLQIEISA-N 0 3 244.291 0.693 40 0 BCABHN NCc1ccnc(OC2CCOCC2)n1 ZINC000098214033 386582870 /nfs/dbraw/zinc/58/28/70/386582870.db2.gz UXHQZCZWLCTCDN-UHFFFAOYSA-N 0 3 209.249 0.493 40 0 BCABHN O=c1cc2c(nn1CC1CC1)CCNC2 ZINC000096516127 386606052 /nfs/dbraw/zinc/60/60/52/386606052.db2.gz YFKYRAUQULUAAK-UHFFFAOYSA-N 0 3 205.261 0.299 40 0 BCABHN COC(=O)[C@@H]1CNC[C@@H](C(F)(F)F)C1 ZINC000116181694 386919208 /nfs/dbraw/zinc/91/92/08/386919208.db2.gz ZFYKDGRNKLVWMO-WDSKDSINSA-N 0 3 211.183 0.947 40 0 BCABHN c1cnc(N2CCC[C@]3(CNCCO3)C2)cn1 ZINC000096226798 387022141 /nfs/dbraw/zinc/02/21/41/387022141.db2.gz WBZHEXQZKADIAJ-LBPRGKRZSA-N 0 3 234.303 0.435 40 0 BCABHN Cc1nc(-n2ccnc2)cc(N2CCNCC2)n1 ZINC000217506170 388375034 /nfs/dbraw/zinc/37/50/34/388375034.db2.gz CFIPNCBGJHKLRO-UHFFFAOYSA-N 0 3 244.302 0.380 40 0 BCABHN CCOC[C@@]1(CN)C[C@H]1S(=O)(=O)CC ZINC000217969429 388383981 /nfs/dbraw/zinc/38/39/81/388383981.db2.gz AJWWASWDVASUMJ-BDAKNGLRSA-N 0 3 221.322 0.175 40 0 BCABHN NCc1cncc(S(=O)(=O)C(F)(F)F)c1 ZINC000242648598 388400000 /nfs/dbraw/zinc/40/00/00/388400000.db2.gz RDBACYNXRUFRKW-UHFFFAOYSA-N 0 3 240.206 0.834 40 0 BCABHN NCc1ccc(S(=O)(=O)CF)cc1 ZINC000085391119 388588101 /nfs/dbraw/zinc/58/81/01/388588101.db2.gz HNFBSRUDUAUJPL-UHFFFAOYSA-N 0 3 203.238 0.846 40 0 BCABHN CCn1cc(Cl)nc(N2CCNCC2)c1=O ZINC000062714159 388655153 /nfs/dbraw/zinc/65/51/53/388655153.db2.gz YZJRVAIVHCJJES-UHFFFAOYSA-N 0 3 242.710 0.326 40 0 BCABHN CSc1ncc(CNCCN(C)C)cn1 ZINC000062718326 388655713 /nfs/dbraw/zinc/65/57/13/388655713.db2.gz OEWFJDMARSWLKX-UHFFFAOYSA-N 0 3 226.349 0.850 40 0 BCABHN CNc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717477 388655976 /nfs/dbraw/zinc/65/59/76/388655976.db2.gz IKIRMVTXHKMGKP-UHFFFAOYSA-N 0 3 246.318 0.895 40 0 BCABHN CCN(CC)C(=O)[C@H](N)CCSC ZINC000062725402 388656567 /nfs/dbraw/zinc/65/65/67/388656567.db2.gz TYPOYMKOUQAFKU-MRVPVSSYSA-N 0 3 204.339 0.935 40 0 BCABHN Cc1cc(C(N)=O)nc([C@]2(C)CCCN2)n1 ZINC000257257677 388698312 /nfs/dbraw/zinc/69/83/12/388698312.db2.gz KQRMTIJSGCATJH-NSHDSACASA-N 0 3 220.276 0.483 40 0 BCABHN Cc1cc(=O)[n-]c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000242437325 388721742 /nfs/dbraw/zinc/72/17/42/388721742.db2.gz BZEKDESMGNFSQR-JTQLQIEISA-N 0 3 234.303 0.775 40 0 BCABHN Cc1cc(=O)[n-]c(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000242437325 388721745 /nfs/dbraw/zinc/72/17/45/388721745.db2.gz BZEKDESMGNFSQR-JTQLQIEISA-N 0 3 234.303 0.775 40 0 BCABHN CCOc1cc(N2CCNCC2)ncn1 ZINC000043220306 132352863 /nfs/dbraw/zinc/35/28/63/132352863.db2.gz ICDARHIQSOFFAD-UHFFFAOYSA-N 0 3 208.265 0.285 40 0 BCABHN C[C@H]1CN(c2nccnc2Cl)CCN1 ZINC000091301474 132428377 /nfs/dbraw/zinc/42/83/77/132428377.db2.gz KGJLYLJNFYGNNH-ZETCQYMHSA-N 0 3 212.684 0.928 40 0 BCABHN CCOC(=O)c1cnc(N2CCNCC2)nc1 ZINC000026898672 132334039 /nfs/dbraw/zinc/33/40/39/132334039.db2.gz WGCSHLUYKRADNA-UHFFFAOYSA-N 0 3 236.275 0.063 40 0 BCABHN C[C@@H]1CNCCN1c1cc(Cl)ncn1 ZINC000072203619 132396129 /nfs/dbraw/zinc/39/61/29/132396129.db2.gz PWWPZFREZFOEOQ-SSDOTTSWSA-N 0 3 212.684 0.928 40 0 BCABHN C[C@H]1CNCCN1c1cc(Cl)ncn1 ZINC000072203620 132396250 /nfs/dbraw/zinc/39/62/50/132396250.db2.gz PWWPZFREZFOEOQ-ZETCQYMHSA-N 0 3 212.684 0.928 40 0 BCABHN CCOC[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261538305 135175168 /nfs/dbraw/zinc/17/51/68/135175168.db2.gz XRDUYFRXQDASSA-DTWKUNHWSA-N 0 3 200.282 0.219 40 0 BCABHN COCC1(C)CCN(C(=O)[C@@H](C)N)CC1 ZINC000261592409 135233005 /nfs/dbraw/zinc/23/30/05/135233005.db2.gz VVEZCIKXVHNUND-SECBINFHSA-N 0 3 214.309 0.609 40 0 BCABHN CSC1=CS(=O)(=O)[C@H]2SC(=N)N[C@@H]12 ZINC000136428749 397736731 /nfs/dbraw/zinc/73/67/31/397736731.db2.gz UKWAZEMJCGAPFY-CRCLSJGQSA-N 0 3 236.343 0.375 40 0 BCABHN CCOCCOc1cc2c(nn1)CCNC2 ZINC000328579668 397901617 /nfs/dbraw/zinc/90/16/17/397901617.db2.gz VMIHVKFZOBNPHP-UHFFFAOYSA-N 0 3 223.276 0.538 40 0 BCABHN CCN1C[C@H]2C[C@@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000249695930 170040463 /nfs/dbraw/zinc/04/04/63/170040463.db2.gz RWJNCOROONDCOV-IJLUTSLNSA-N 0 3 238.331 0.718 40 0 BCABHN CCOC(=O)C(=C1CC(=O)NC1=O)C(C)N ZINC000031688871 170180125 /nfs/dbraw/zinc/18/01/25/170180125.db2.gz QRIKHIZFBIVKFV-YTDSJMIDSA-N 0 3 226.232 0.285 40 0 BCABHN CCOC(=O)C1C(=O)NC[C@@H]2CCC[C@@H]21 ZINC000000975384 170278648 /nfs/dbraw/zinc/27/86/48/170278648.db2.gz IOMQKGKNFVKWCE-XHNCKOQMSA-N 0 3 211.261 0.712 40 0 BCABHN CCOCC(=O)N1CC[C@]2(CCN2CC)C1 ZINC000096075924 170341686 /nfs/dbraw/zinc/34/16/86/170341686.db2.gz ZVTREHVMOSMMLN-LBPRGKRZSA-N 0 3 226.320 0.720 40 0 BCABHN CCOCCCNC(=O)[C@@H](N)CCSC ZINC000040458594 170377691 /nfs/dbraw/zinc/37/76/91/170377691.db2.gz FAJIWXMUBOTPOK-VIFPVBQESA-N 0 3 234.365 0.610 40 0 BCABHN COC(CNc1cc(N)nc(C2CC2)n1)OC ZINC000409430714 412352506 /nfs/dbraw/zinc/35/25/06/412352506.db2.gz MYYZXSHRYGTXKG-UHFFFAOYSA-N 0 3 238.291 0.967 40 0 BCABHN CCn1ncc(CNCCN(C)C)c1F ZINC000256054333 172255423 /nfs/dbraw/zinc/25/54/23/172255423.db2.gz VXCDVNSZMXLOJY-UHFFFAOYSA-N 0 3 214.288 0.693 40 0 BCABHN CN(C(=O)CN)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404129 172307893 /nfs/dbraw/zinc/30/78/93/172307893.db2.gz XVLIVSKTCGLTFP-CYBMUJFWSA-N 0 3 247.342 0.678 40 0 BCABHN CN(C)C(=O)[C@@H]1CCN(Cc2ccncc2)C1 ZINC000072379444 172385003 /nfs/dbraw/zinc/38/50/03/172385003.db2.gz ANMCCFCXMRZTKZ-GFCCVEGCSA-N 0 3 233.315 0.992 40 0 BCABHN CN(C)C(=O)c1cc([C@H]2CCCCN2)[nH]n1 ZINC000019686739 172388882 /nfs/dbraw/zinc/38/88/82/172388882.db2.gz BVNVQHAKOAZTRO-MRVPVSSYSA-N 0 3 222.292 0.926 40 0 BCABHN CN(C)C(=O)c1cc([C@H]2CCCCN2)n[nH]1 ZINC000019686739 172388884 /nfs/dbraw/zinc/38/88/84/172388884.db2.gz BVNVQHAKOAZTRO-MRVPVSSYSA-N 0 3 222.292 0.926 40 0 BCABHN CN1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000257233383 173037058 /nfs/dbraw/zinc/03/70/58/173037058.db2.gz GPBSDZCLMMNNPK-SECBINFHSA-N 0 3 221.308 0.191 40 0 BCABHN CN1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000257233384 173059805 /nfs/dbraw/zinc/05/98/05/173059805.db2.gz GPBSDZCLMMNNPK-VIFPVBQESA-N 0 3 221.308 0.191 40 0 BCABHN CN1CCOC[C@H](Cc2ncccn2)C1 ZINC000257304406 173099363 /nfs/dbraw/zinc/09/93/63/173099363.db2.gz SLMRIGNNEZHCMV-SNVBAGLBSA-N 0 3 207.277 0.597 40 0 BCABHN CNc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329018011 173209954 /nfs/dbraw/zinc/20/99/54/173209954.db2.gz NOUYCFPBBKRPFE-UHFFFAOYSA-N 0 3 235.335 0.213 40 0 BCABHN CNCC(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257310249 173326870 /nfs/dbraw/zinc/32/68/70/173326870.db2.gz UEJLOSOSKMLOHX-SNVBAGLBSA-N 0 3 236.319 0.644 40 0 BCABHN CNCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019430409 173334208 /nfs/dbraw/zinc/33/42/08/173334208.db2.gz KFTFWOLKRASXKV-UHFFFAOYSA-N 0 3 221.260 0.803 40 0 BCABHN COCCN1CCC[C@](C)(c2nncn2C)C1 ZINC000257310389 174308734 /nfs/dbraw/zinc/30/87/34/174308734.db2.gz UEWQTBNLTDVTGH-LBPRGKRZSA-N 0 3 238.335 0.815 40 0 BCABHN COCCOCCOCCOCCN(C)C ZINC000005509040 174359184 /nfs/dbraw/zinc/35/91/84/174359184.db2.gz MTASIQLPCFJOKC-UHFFFAOYSA-N 0 3 235.324 0.244 40 0 BCABHN COc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000222551788 175140433 /nfs/dbraw/zinc/14/04/33/175140433.db2.gz XOUDMPQSZCZMFV-SNVBAGLBSA-N 0 3 249.270 0.737 40 0 BCABHN COc1cccc(CN(C)C(=O)CN)c1 ZINC000037493502 175253538 /nfs/dbraw/zinc/25/35/38/175253538.db2.gz HMQGWXLPZXYKRQ-UHFFFAOYSA-N 0 3 208.261 0.612 40 0 BCABHN COc1ccccc1-c1ccc(=O)n(CCN)n1 ZINC000041295851 175309548 /nfs/dbraw/zinc/30/95/48/175309548.db2.gz OZDUNEDBOOBEFY-UHFFFAOYSA-N 0 3 245.282 0.878 40 0 BCABHN COc1ccccc1O[C@H]1COC[C@@H]1N ZINC000218680440 175343008 /nfs/dbraw/zinc/34/30/08/175343008.db2.gz XIYXTVMUMMXJEK-KWQFWETISA-N 0 3 209.245 0.800 40 0 BCABHN COc1ccccc1[C@H]1C[C@@H](N)C(=O)N1 ZINC000218688100 175355669 /nfs/dbraw/zinc/35/56/69/175355669.db2.gz MZEXRQYTWQXKJH-RKDXNWHRSA-N 0 3 206.245 0.584 40 0 BCABHN C[C@@H](c1cnccn1)N(C(=O)CN)C1CC1 ZINC000079435611 176036155 /nfs/dbraw/zinc/03/61/55/176036155.db2.gz GEBZUQFJMOKCDD-QMMMGPOBSA-N 0 3 220.276 0.487 40 0 BCABHN C[C@@H]1C[C@H]2N[C@@H](C)C[C@@H]3N[C@@H](C)C[C@@H](N1)N32 ZINC000019327232 177352886 /nfs/dbraw/zinc/35/28/86/177352886.db2.gz MZEWYVRDJISVSS-ZXZMWMBJSA-N 0 3 224.352 0.412 40 0 BCABHN Cc1ccccc1N1CC[C@H](CN)S1(=O)=O ZINC000260756074 323124004 /nfs/dbraw/zinc/12/40/04/323124004.db2.gz DDLSXKWFKVTREZ-SNVBAGLBSA-N 0 3 240.328 0.862 40 0 BCABHN Cc1cccc(N2CC[C@H](CN)S2(=O)=O)c1 ZINC000260788297 323127804 /nfs/dbraw/zinc/12/78/04/323127804.db2.gz YLBCVWKFHGONSJ-LLVKDONJSA-N 0 3 240.328 0.862 40 0 BCABHN Cc1cnc(N2CCN[C@H](C)C2)c(N)c1 ZINC000260812345 323128452 /nfs/dbraw/zinc/12/84/52/323128452.db2.gz AQASWSJVBUOYSN-SECBINFHSA-N 0 3 206.293 0.770 40 0 BCABHN CCc1cc(=O)[n-]c(N2CCC([NH3+])CC2)n1 ZINC000057329429 536091834 /nfs/dbraw/zinc/09/18/34/536091834.db2.gz XSQZVBBXYCKWTA-UHFFFAOYSA-N 0 3 222.292 0.260 40 0 BCABHN CCC(CC)C(=O)N1CCOC2(CNC2)C1 ZINC000096051006 168334769 /nfs/dbraw/zinc/33/47/69/168334769.db2.gz HJJZVJDJEZXOBD-UHFFFAOYSA-N 0 3 226.320 0.623 40 0 BCABHN Cc1cc(=O)[n-]c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000072207548 259315194 /nfs/dbraw/zinc/31/51/94/259315194.db2.gz BZEKDESMGNFSQR-SNVBAGLBSA-N 0 3 234.303 0.775 40 0 BCABHN Cc1cc(=O)[n-]c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000072207548 259315195 /nfs/dbraw/zinc/31/51/95/259315195.db2.gz BZEKDESMGNFSQR-SNVBAGLBSA-N 0 3 234.303 0.775 40 0 BCABHN N[C@@H]1CC(=O)N(CCc2cccs2)C1 ZINC000035679884 342754744 /nfs/dbraw/zinc/75/47/44/342754744.db2.gz AYTGAKUVKDRRCM-MRVPVSSYSA-N 0 3 210.302 0.850 40 0 BCABHN c1cn2c(n1)CO[C@@H](CNCc1cccnc1)C2 ZINC000096296275 398317004 /nfs/dbraw/zinc/31/70/04/398317004.db2.gz BCVBUXWCWBJJQB-LBPRGKRZSA-N 0 3 244.298 0.967 40 0 biogenic,in-vitro BCABHN Cn1cc(CNC[C@H]2Cn3ccnc3CO2)cn1 ZINC000096296274 398317263 /nfs/dbraw/zinc/31/72/63/398317263.db2.gz IYNBNCFCFVSBOK-NSHDSACASA-N 0 3 247.302 0.305 40 0 biogenic,in-vitro BCABHN COC(=O)[C@@H]1CN(C)C[C@@H]1c1cccnc1 ZINC000217667789 398322705 /nfs/dbraw/zinc/32/27/05/398322705.db2.gz ZJAMBIPSBQWOSV-GHMZBOCLSA-N 0 3 220.272 0.900 40 0 BCABHN CC(C)N(c1nc(N)nc(N)n1)C(C)C ZINC000016575390 342912811 /nfs/dbraw/zinc/91/28/11/342912811.db2.gz IBJTWLOJZZUISK-UHFFFAOYSA-N 0 3 210.285 0.659 40 0 BCABHN CCCCS[C@@H]1CS(=O)(=O)C[C@H]1N ZINC000040166322 349665881 /nfs/dbraw/zinc/66/58/81/349665881.db2.gz FHKVCSJLPFKXSX-HTQZYQBOSA-N 0 3 223.363 0.644 40 0 BCABHN C[C@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035222939 343303465 /nfs/dbraw/zinc/30/34/65/343303465.db2.gz CYYISHHAQAKICG-WCQYABFASA-N 0 3 247.342 0.724 40 0 BCABHN CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N ZINC000039091358 343381963 /nfs/dbraw/zinc/38/19/63/343381963.db2.gz HWYDCYLRWDJCCH-NKWVEPMBSA-N 0 3 202.254 0.237 40 0 BCABHN COC(=O)C[C@@H](C)NCC(OC)OC ZINC000047219179 343559890 /nfs/dbraw/zinc/55/98/90/343559890.db2.gz GNJGRUDMBNILRV-SSDOTTSWSA-N 0 3 205.254 0.147 40 0 BCABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673621 187264718 /nfs/dbraw/zinc/26/47/18/187264718.db2.gz BEZIYXRYOQMVKT-ZJUUUORDSA-N 0 3 213.325 0.180 40 0 BCABHN C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1CCCCN1 ZINC000409427940 343802225 /nfs/dbraw/zinc/80/22/25/343802225.db2.gz LDFKSOUQVUOGHL-GARJFASQSA-N 0 3 226.320 0.500 40 0 BCABHN C[C@H]1CCCCN1C(=O)Cn1cc(CN)nn1 ZINC000050224769 343782680 /nfs/dbraw/zinc/78/26/80/343782680.db2.gz KTTIYKXQUVOVOZ-VIFPVBQESA-N 0 3 237.307 0.138 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCN(C2CC2)CC1 ZINC000037826975 343783490 /nfs/dbraw/zinc/78/34/90/343783490.db2.gz NMPPFZFJHGTMRP-GFCCVEGCSA-N 0 3 237.347 0.435 40 0 BCABHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1O ZINC000126884490 343786781 /nfs/dbraw/zinc/78/67/81/343786781.db2.gz MVXOZMYFRWUVNV-VWYCJHECSA-N 0 3 226.320 0.358 40 0 BCABHN NC(=O)Nc1ccc(OC2CNC2)cc1 ZINC000148642701 343788842 /nfs/dbraw/zinc/78/88/42/343788842.db2.gz LRXUVCAVXJDPIM-UHFFFAOYSA-N 0 3 207.233 0.528 40 0 BCABHN O=C([C@@H]1C[C@@H](F)CN1)N1CCCCC1 ZINC000307638976 343790146 /nfs/dbraw/zinc/79/01/46/343790146.db2.gz DNLOQEUPNXEYLE-BDAKNGLRSA-N 0 3 200.257 0.699 40 0 BCABHN CC(C)(C)OC(=O)Cn1cc(CN)cn1 ZINC000309030188 343790790 /nfs/dbraw/zinc/79/07/90/343790790.db2.gz BBWUHPQANPAEEC-UHFFFAOYSA-N 0 3 211.265 0.684 40 0 BCABHN CCOC[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000313271339 343791221 /nfs/dbraw/zinc/79/12/21/343791221.db2.gz WCGTTWTVBYYDQV-UWVGGRQHSA-N 0 3 214.309 0.751 40 0 BCABHN CCCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339418623 343791467 /nfs/dbraw/zinc/79/14/67/343791467.db2.gz FHYZHXHOYYSVRZ-NSHDSACASA-N 0 3 224.308 0.817 40 0 BCABHN COC[C@H]1CN(C(=O)[C@@H](C)N)CC12CCCC2 ZINC000409426434 343798048 /nfs/dbraw/zinc/79/80/48/343798048.db2.gz CKDQBBOQKCJTEQ-GHMZBOCLSA-N 0 3 240.347 0.999 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@H]2COC[C@H]2C1 ZINC000409426690 343798328 /nfs/dbraw/zinc/79/83/28/343798328.db2.gz INOZVLIZBYTUDW-TUAOUCFPSA-N 0 3 238.331 0.623 40 0 BCABHN CCOC[C@@H]1CN(CC(=N)NO)C[C@@H]1C ZINC000409427033 343799567 /nfs/dbraw/zinc/79/95/67/343799567.db2.gz DOJHBPNEGKNDPI-IUCAKERBSA-N 0 3 215.297 0.547 40 0 BCABHN NCC(=O)N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409427040 343800210 /nfs/dbraw/zinc/80/02/10/343800210.db2.gz JICSIEFMJINUKJ-NKWVEPMBSA-N 0 3 204.220 0.449 40 0 BCABHN N=C(CN1CCC[C@H](C(F)F)C1)NO ZINC000409428394 343803258 /nfs/dbraw/zinc/80/32/58/343803258.db2.gz MJDFBXFWLWANCS-LURJTMIESA-N 0 3 207.224 0.920 40 0 BCABHN CCCN1CC[C@@H](n2cc(CO)nn2)C1 ZINC000409427710 343801725 /nfs/dbraw/zinc/80/17/25/343801725.db2.gz XKJCBYDGAMEUDG-SNVBAGLBSA-N 0 3 210.281 0.427 40 0 BCABHN NCC(=O)N(C1CC1)C1CCSCC1 ZINC000409431255 343812760 /nfs/dbraw/zinc/81/27/60/343812760.db2.gz JSTSYZNIVJQLHB-UHFFFAOYSA-N 0 3 214.334 0.832 40 0 BCABHN COC(=O)[C@@H]1CN(CCOC(C)C)CC[C@H]1O ZINC000409422277 343813381 /nfs/dbraw/zinc/81/33/81/343813381.db2.gz DNKBNBCGOHSDBG-GHMZBOCLSA-N 0 3 245.319 0.267 40 0 BCABHN COC(=O)[C@@H]1CN(CCOC(C)C)CC[C@@H]1O ZINC000409422278 343813440 /nfs/dbraw/zinc/81/34/40/343813440.db2.gz DNKBNBCGOHSDBG-MNOVXSKESA-N 0 3 245.319 0.267 40 0 BCABHN COC(=O)[C@H]1CN(CCOC(C)C)CC[C@H]1O ZINC000409422280 343813491 /nfs/dbraw/zinc/81/34/91/343813491.db2.gz DNKBNBCGOHSDBG-WDEREUQCSA-N 0 3 245.319 0.267 40 0 BCABHN CCCCN(CC)C(=O)CN1CC(N)C1 ZINC000409422974 343814268 /nfs/dbraw/zinc/81/42/68/343814268.db2.gz KHFMCCNECVYOIC-UHFFFAOYSA-N 0 3 213.325 0.278 40 0 BCABHN CCn1nc(C2CCC2)n(C2CNC2)c1=O ZINC000409423665 343815712 /nfs/dbraw/zinc/81/57/12/343815712.db2.gz CQTPCDRLUYRLAL-UHFFFAOYSA-N 0 3 222.292 0.477 40 0 BCABHN C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)O ZINC000409423748 343815718 /nfs/dbraw/zinc/81/57/18/343815718.db2.gz AITSCCLOMFYXOU-XHNCKOQMSA-N 0 3 200.282 0.096 40 0 BCABHN CC(=O)Nc1ccccc1C(=O)N1CC(N)C1 ZINC000409423607 343815891 /nfs/dbraw/zinc/81/58/91/343815891.db2.gz PKADNHXJVIGLMA-UHFFFAOYSA-N 0 3 233.271 0.428 40 0 BCABHN O=Cc1cn(CC2CN(CC3CC3)C2)nn1 ZINC000409423594 343815930 /nfs/dbraw/zinc/81/59/30/343815930.db2.gz CGPARUBZLZHKNL-UHFFFAOYSA-N 0 3 220.276 0.432 40 0 BCABHN CO[C@H]1CCOC2(CCN(C(=O)CN)CC2)C1 ZINC000409424070 343816835 /nfs/dbraw/zinc/81/68/35/343816835.db2.gz BDGDIJSRBNECCE-JTQLQIEISA-N 0 3 242.319 0.132 40 0 BCABHN COc1ccc(C(=O)CN2CC(N)C2)cc1 ZINC000409424959 343817674 /nfs/dbraw/zinc/81/76/74/343817674.db2.gz ZRPZDIZYZSVAGD-UHFFFAOYSA-N 0 3 220.272 0.521 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H](CO)C2(CCCC2)C1 ZINC000409425544 343819685 /nfs/dbraw/zinc/81/96/85/343819685.db2.gz AQBIFZYZNZRPBL-UWVGGRQHSA-N 0 3 226.320 0.345 40 0 BCABHN OCc1cn(CC2CN(C3CCC3)C2)nn1 ZINC000409425679 343820302 /nfs/dbraw/zinc/82/03/02/343820302.db2.gz MOXWKQBCRFKCIC-UHFFFAOYSA-N 0 3 222.292 0.255 40 0 BCABHN CCOCC1(C)CCN(C(=O)CNC)CC1 ZINC000409431766 343822851 /nfs/dbraw/zinc/82/28/51/343822851.db2.gz KIZQVYWSVFZBAT-UHFFFAOYSA-N 0 3 228.336 0.871 40 0 BCABHN FC(F)(F)c1ccnnc1N1CCNCC1 ZINC000409431887 343822860 /nfs/dbraw/zinc/82/28/60/343822860.db2.gz LRRBJJDVDVGIPZ-UHFFFAOYSA-N 0 3 232.209 0.905 40 0 BCABHN CNCC(=O)N1CCC(c2ccn(C)n2)CC1 ZINC000409431471 343823527 /nfs/dbraw/zinc/82/35/27/343823527.db2.gz SLSUHSJJJMNWRF-UHFFFAOYSA-N 0 3 236.319 0.346 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@H](CF)C1 ZINC000409432220 343825613 /nfs/dbraw/zinc/82/56/13/343825613.db2.gz UXGQFCAYZYTAOZ-ZJUUUORDSA-N 0 3 214.284 0.947 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@@H](CF)C1 ZINC000409432218 343825831 /nfs/dbraw/zinc/82/58/31/343825831.db2.gz UXGQFCAYZYTAOZ-UWVGGRQHSA-N 0 3 214.284 0.947 40 0 BCABHN CCOC[C@H]1CCCN1C(=O)[C@H](C)N ZINC000409433120 343826481 /nfs/dbraw/zinc/82/64/81/343826481.db2.gz XLBOSNDOIKATFI-DTWKUNHWSA-N 0 3 200.282 0.361 40 0 BCABHN NCC(=O)N1CCOC[C@H]2CCCC[C@@H]21 ZINC000409428497 343803779 /nfs/dbraw/zinc/80/37/79/343803779.db2.gz GMCQORRFBFHCBE-ZJUUUORDSA-N 0 3 212.293 0.363 40 0 BCABHN N=C(CN1CCOC[C@H]2CCC[C@H]21)NO ZINC000409429736 343806749 /nfs/dbraw/zinc/80/67/49/343806749.db2.gz SCQGGXYGOIVDQR-RKDXNWHRSA-N 0 3 213.281 0.443 40 0 BCABHN COC[C@H]1CN(CC(=N)NO)CC12CCC2 ZINC000409432762 343827404 /nfs/dbraw/zinc/82/74/04/343827404.db2.gz LUOWZXASOLKYIJ-SECBINFHSA-N 0 3 227.308 0.691 40 0 BCABHN COC[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)N ZINC000409430612 343808478 /nfs/dbraw/zinc/80/84/78/343808478.db2.gz IRHDBNKQLHELJW-BQBZGAKWSA-N 0 3 222.235 0.216 40 0 BCABHN C[C@H](N)C(=O)N(C)C1CCSCC1 ZINC000403641632 343811531 /nfs/dbraw/zinc/81/15/31/343811531.db2.gz PRKIVONBYPTGKL-ZETCQYMHSA-N 0 3 202.323 0.688 40 0 BCABHN COC[C@H]1CN(C(=O)[C@@H](C)N)CC12CCC2 ZINC000409434480 343831536 /nfs/dbraw/zinc/83/15/36/343831536.db2.gz PLAYOKFXBVZUCQ-NXEZZACHSA-N 0 3 226.320 0.609 40 0 BCABHN CNCC(=O)N1CCOC[C@H]2CCCC[C@H]21 ZINC000409435173 343832547 /nfs/dbraw/zinc/83/25/47/343832547.db2.gz SSQKYDFJBSJJNR-GHMZBOCLSA-N 0 3 226.320 0.623 40 0 BCABHN CCOC1(C(F)(F)F)CN(CC(=N)NO)C1 ZINC000409433408 343832729 /nfs/dbraw/zinc/83/27/29/343832729.db2.gz MTIHITMCVSJLTI-UHFFFAOYSA-N 0 3 241.213 0.596 40 0 BCABHN C[C@H](N)C(=O)N1CCc2cc(CO)ccc21 ZINC000409435649 343834411 /nfs/dbraw/zinc/83/44/11/343834411.db2.gz VZLOERWEINGWGU-QMMMGPOBSA-N 0 3 220.272 0.415 40 0 BCABHN COC[C@@H]1CC(F)(F)CN1CC(=N)NO ZINC000409436420 343837412 /nfs/dbraw/zinc/83/74/12/343837412.db2.gz ZQFGZZQIWABGRN-LURJTMIESA-N 0 3 223.223 0.298 40 0 BCABHN CNCC(=O)N1C[C@H](CO)C2(C1)CCCCC2 ZINC000409436325 343838442 /nfs/dbraw/zinc/83/84/42/343838442.db2.gz ZHBSJZMSWTUVOF-LLVKDONJSA-N 0 3 240.347 0.607 40 0 BCABHN CNCC(=O)N1C[C@@H](COC)C(C)(C)C1 ZINC000409435763 343840027 /nfs/dbraw/zinc/84/00/27/343840027.db2.gz WLDXQOVEEXIQKZ-VIFPVBQESA-N 0 3 214.309 0.337 40 0 BCABHN N=C(CN1C[C@H](CO)C2(CCC2)C1)NO ZINC000409435772 343840175 /nfs/dbraw/zinc/84/01/75/343840175.db2.gz WMJKWXZJVPCKSZ-MRVPVSSYSA-N 0 3 213.281 0.037 40 0 BCABHN C[C@H](N)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000072220514 344514052 /nfs/dbraw/zinc/51/40/52/344514052.db2.gz HKZYPDYSLHVXQV-QMMMGPOBSA-N 0 3 246.270 0.700 40 0 BCABHN CN(C)CCOC(=O)c1ccc(N)cc1 ZINC000000395004 187301081 /nfs/dbraw/zinc/30/10/81/187301081.db2.gz MXBCQLLLJGRMJI-UHFFFAOYSA-N 0 3 208.261 0.987 40 0 in-vitro BCABHN COc1ccccc1CC(=O)N1CC(N)C1 ZINC000082590421 345910075 /nfs/dbraw/zinc/91/00/75/345910075.db2.gz WIODBXPIRZFQFR-UHFFFAOYSA-N 0 3 220.272 0.407 40 0 BCABHN Cc1ccc(C(=O)N2CC(N)C2)cc1F ZINC000082590432 345910495 /nfs/dbraw/zinc/91/04/95/345910495.db2.gz NXPGKSVEGICCTA-UHFFFAOYSA-N 0 3 208.236 0.917 40 0 BCABHN CCN(CCO)c1cc(NC)nc(C)n1 ZINC000087819982 345940224 /nfs/dbraw/zinc/94/02/24/345940224.db2.gz LTWOQHVVELQKRQ-UHFFFAOYSA-N 0 3 210.281 0.645 40 0 BCABHN CNc1cc(N(C)CCOC)nc(C)n1 ZINC000087821606 345940396 /nfs/dbraw/zinc/94/03/96/345940396.db2.gz LHMWALDGIXTKPE-UHFFFAOYSA-N 0 3 210.281 0.909 40 0 BCABHN C[C@H](O)CN[C@H]1c2ccccc2C[C@@H]1O ZINC000001685678 346464158 /nfs/dbraw/zinc/46/41/58/346464158.db2.gz MDJPOHDQJZNIOZ-UWJYBYFXSA-N 0 3 207.273 0.615 40 0 BCABHN Cc1c2nc(N)nc-2ccc2nc(N)[nH]c21 ZINC000001866105 346477302 /nfs/dbraw/zinc/47/73/02/346477302.db2.gz SHHMMSFAIOQFON-UHFFFAOYSA-N 0 3 214.232 0.761 40 0 BCABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1C ZINC000205676466 348572320 /nfs/dbraw/zinc/57/23/20/348572320.db2.gz HOUBOBVELIVXJV-DTWKUNHWSA-N 0 3 219.288 0.640 40 0 BCABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1C ZINC000205676466 348572323 /nfs/dbraw/zinc/57/23/23/348572323.db2.gz HOUBOBVELIVXJV-DTWKUNHWSA-N 0 3 219.288 0.640 40 0 BCABHN Cc1noc(C2(C)CCN(CCO)CC2)n1 ZINC000205679058 348573042 /nfs/dbraw/zinc/57/30/42/348573042.db2.gz XPLXWNIPGONOIS-UHFFFAOYSA-N 0 3 225.292 0.724 40 0 BCABHN CN1CC[C@@H](O)[C@@H](Cc2ccccn2)C1 ZINC000169975246 490260845 /nfs/dbraw/zinc/26/08/45/490260845.db2.gz OGGWQOJFGKKYML-CMPLNLGQSA-N 0 3 206.289 0.937 40 0 BCABHN Cc1ncc([C@@H](CN)N2CCOCC2)cn1 ZINC000074039060 180174684 /nfs/dbraw/zinc/17/46/84/180174684.db2.gz WCYBAQSGDZTVKR-LLVKDONJSA-N 0 3 222.292 0.117 40 0 BCABHN CCOC[C@@H]1CCCN1C(=O)CNC ZINC000409434099 350472782 /nfs/dbraw/zinc/47/27/82/350472782.db2.gz ZXXUIFOQAQSLDH-VIFPVBQESA-N 0 3 200.282 0.233 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1O ZINC000409433991 350473213 /nfs/dbraw/zinc/47/32/13/350473213.db2.gz NVPXUHFFSKDSHV-AXFHLTTASA-N 0 3 228.336 0.589 40 0 BCABHN COCCC1CCN(C(=O)CN)CC1 ZINC000409433852 350473587 /nfs/dbraw/zinc/47/35/87/350473587.db2.gz ZDQFSXKAMKMORT-UHFFFAOYSA-N 0 3 200.282 0.220 40 0 BCABHN CCN1CCC[C@H]1Cn1cc(C=O)nn1 ZINC000409424230 350475771 /nfs/dbraw/zinc/47/57/71/350475771.db2.gz GBDHXSRRYXOAJK-JTQLQIEISA-N 0 3 208.265 0.575 40 0 BCABHN C[C@@H](N)C(=O)N1CCC(c2ccn(C)n2)CC1 ZINC000409430019 350476810 /nfs/dbraw/zinc/47/68/10/350476810.db2.gz PWMJEOZRYRAGPK-SECBINFHSA-N 0 3 236.319 0.473 40 0 BCABHN Cc1nonc1CNC(=O)[C@]1(C)CCCCN1 ZINC000257326188 180513881 /nfs/dbraw/zinc/51/38/81/180513881.db2.gz WWFBLCKXKHMDTG-NSHDSACASA-N 0 3 238.291 0.526 40 0 BCABHN C[C@H](N)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000040430947 363145682 /nfs/dbraw/zinc/14/56/82/363145682.db2.gz HQRSYHZQMWOHBJ-IUCAKERBSA-N 0 3 236.271 0.290 40 0 BCABHN CC(=O)N(C(C)C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417674 188291358 /nfs/dbraw/zinc/29/13/58/188291358.db2.gz HSOAAQIFDRMDCT-ONGXEEELSA-N 0 3 241.335 0.191 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)Cc1cnccn1 ZINC000079435707 188291614 /nfs/dbraw/zinc/29/16/14/188291614.db2.gz NOYBUPKMPHNXNY-JTQLQIEISA-N 0 3 222.292 0.418 40 0 BCABHN OCCNCc1ccnc(Br)c1 ZINC000079421546 188291742 /nfs/dbraw/zinc/29/17/42/188291742.db2.gz PFSRKQIFCXMTLO-UHFFFAOYSA-N 0 3 231.093 0.926 40 0 BCABHN COc1ccc([C@H](N)c2nnc[nH]2)cc1OC ZINC000087878949 188318362 /nfs/dbraw/zinc/31/83/62/188318362.db2.gz CJCCILIOBXDFNU-JTQLQIEISA-N 0 3 234.259 0.870 40 0 BCABHN CSCC[C@@H](N)C(=O)N1CCCC1 ZINC000034175843 355308652 /nfs/dbraw/zinc/30/86/52/355308652.db2.gz XVGCJJBXAPGGKC-MRVPVSSYSA-N 0 3 202.323 0.689 40 0 BCABHN NC(=O)CCN1CCC[C@@H]1c1ccncn1 ZINC000257255044 181223153 /nfs/dbraw/zinc/22/31/53/181223153.db2.gz KFVHDYVUIKCREV-SNVBAGLBSA-N 0 3 220.276 0.489 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H]2NN=C(N)[C@H]2C1 ZINC000035269921 356465014 /nfs/dbraw/zinc/46/50/14/356465014.db2.gz GCRNGPNGNJSZCC-NKWVEPMBSA-N 0 3 226.280 0.097 40 0 BCABHN CC(C)C[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019488950 356643427 /nfs/dbraw/zinc/64/34/27/356643427.db2.gz AJYJSQHSJGEWAP-UWVGGRQHSA-N 0 3 214.309 0.655 40 0 BCABHN CC(C)n1cc(N)c(C(=O)NCCN(C)C)n1 ZINC000685936682 538757619 /nfs/dbraw/zinc/75/76/19/538757619.db2.gz QAGITLYNNQWQRX-UHFFFAOYSA-N 0 3 239.323 0.338 40 0 BCABHN COC(=O)N1CC[C@@](C)(O)[C@@H](N(C)C)C1 ZINC000685936475 538757635 /nfs/dbraw/zinc/75/76/35/538757635.db2.gz ZRYJKEYGRUAICD-WCBMZHEXSA-N 0 3 216.281 0.140 40 0 BCABHN CC[C@@H](C)[C@H](N)C(=O)NCCCOC ZINC000011959274 370803642 /nfs/dbraw/zinc/80/36/42/370803642.db2.gz VYGAMAHLWYPLSO-BDAKNGLRSA-N 0 3 202.298 0.513 40 0 BCABHN Cc1noc([C@]2(C)CCCN(C(=O)CN)C2)n1 ZINC000205674958 368356563 /nfs/dbraw/zinc/35/65/63/368356563.db2.gz JHODCUDAFMQESB-LLVKDONJSA-N 0 3 238.291 0.217 40 0 BCABHN CNCC(=O)N1CCC[C@@H](c2nccnc2C)C1 ZINC000205700865 368359652 /nfs/dbraw/zinc/35/96/52/368359652.db2.gz PEFVKVKZIYQVGW-LLVKDONJSA-N 0 3 248.330 0.710 40 0 BCABHN N[C@@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000009280450 370441361 /nfs/dbraw/zinc/44/13/61/370441361.db2.gz CAVZACNJVXKMEG-SECBINFHSA-N 0 3 208.236 0.885 40 0 BCABHN CO[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)N)C1 ZINC000409435312 383835994 /nfs/dbraw/zinc/83/59/94/383835994.db2.gz UCQCPEAJPRMJPA-HTRCEHHLSA-N 0 3 240.225 0.513 40 0 BCABHN N=C(CN1C[C@@H](CO)C2(CCCC2)C1)NO ZINC000409434904 383839187 /nfs/dbraw/zinc/83/91/87/383839187.db2.gz REUXBAJFZVTMLF-VIFPVBQESA-N 0 3 227.308 0.427 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CN)CC12CCC2 ZINC000409434191 383829390 /nfs/dbraw/zinc/82/93/90/383829390.db2.gz OLQXXYIUBGRCGR-JTQLQIEISA-N 0 3 226.320 0.610 40 0 BCABHN Cc1cc(CCC(N)=O)nc([C@H]2CCCN2)n1 ZINC000072363373 383910395 /nfs/dbraw/zinc/91/03/95/383910395.db2.gz USFUGHPPVYZAIE-SNVBAGLBSA-N 0 3 234.303 0.627 40 0 BCABHN CN(C)CCN1C(=O)Cc2ccccc2C1=O ZINC000001609346 383912626 /nfs/dbraw/zinc/91/26/26/383912626.db2.gz WGRXSZJLBXDYSS-UHFFFAOYSA-N 0 3 232.283 0.773 40 0 BCABHN COCCCNC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000034974495 384009172 /nfs/dbraw/zinc/00/91/72/384009172.db2.gz VJDNWIKFDFYLJU-NXEZZACHSA-N 0 3 214.309 0.670 40 0 BCABHN COC[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079392062 384133519 /nfs/dbraw/zinc/13/35/19/384133519.db2.gz YDBMODXSCMXDMS-MNOVXSKESA-N 0 3 228.336 0.997 40 0 BCABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCN(C)C1 ZINC000079407600 384135946 /nfs/dbraw/zinc/13/59/46/384135946.db2.gz NKCXJYQXZIKVJK-RYUDHWBXSA-N 0 3 241.379 0.912 40 0 BCABHN CO[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392058 384132711 /nfs/dbraw/zinc/13/27/11/384132711.db2.gz KCPRFHIWNOQCIV-UWVGGRQHSA-N 0 3 214.309 0.607 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)CC(=O)c1ccco1 ZINC000079436301 384146604 /nfs/dbraw/zinc/14/66/04/384146604.db2.gz UGWNTERGGWTPQF-NSHDSACASA-N 0 3 238.287 0.904 40 0 BCABHN C[C@H](N)C(=O)N(C)[C@@H](C)c1cnccn1 ZINC000079435799 384146694 /nfs/dbraw/zinc/14/66/94/384146694.db2.gz DBOQSQORACTPCZ-YUMQZZPRSA-N 0 3 208.265 0.343 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@H](C)c1cnccn1 ZINC000079435830 384146815 /nfs/dbraw/zinc/14/68/15/384146815.db2.gz ZJKOXXHKVCYNSQ-KOLCDFICSA-N 0 3 236.319 0.979 40 0 BCABHN CNC(=O)[C@H]1CCCN1[C@@H](CN)C(F)(F)F ZINC000042391367 384149220 /nfs/dbraw/zinc/14/92/20/384149220.db2.gz WJAGDIMZVAYYHJ-RQJHMYQMSA-N 0 3 239.241 0.086 40 0 BCABHN CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C ZINC000079417829 384140058 /nfs/dbraw/zinc/14/00/58/384140058.db2.gz DLJRDSPAKPABOT-QWRGUYRKSA-N 0 3 241.335 0.097 40 0 BCABHN Cc1cn[nH]c1[C@@H]1CCCN1CC(=O)N(C)C ZINC000072357207 384209522 /nfs/dbraw/zinc/20/95/22/384209522.db2.gz RMHLCZYYLPGCFC-JTQLQIEISA-N 0 3 236.319 0.943 40 0 BCABHN Cn1ccnc1CC1CCN(CCO)CC1 ZINC000072381354 384216246 /nfs/dbraw/zinc/21/62/46/384216246.db2.gz OIRREYBECDJWGX-UHFFFAOYSA-N 0 3 223.320 0.667 40 0 BCABHN O=C1C2=CNNC2C(=O)N1Cc1ccccc1 ZINC000100028603 384277968 /nfs/dbraw/zinc/27/79/68/384277968.db2.gz CBFHOYBSZUEILM-NXEZZACHSA-N 0 3 229.239 0.129 40 0 BCABHN CN1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000074707298 384300114 /nfs/dbraw/zinc/30/01/14/384300114.db2.gz VHQUFPVMPRJDGE-LLVKDONJSA-N 0 3 226.320 0.623 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H]2C(CN)=NO[C@@H]2C1 ZINC000095743431 384391899 /nfs/dbraw/zinc/39/18/99/384391899.db2.gz NGEGZOIWPHWOJW-VXNVDRBHSA-N 0 3 241.291 0.567 40 0 BCABHN Cn1nc(CNc2ncccn2)c2c1CNCC2 ZINC000096255957 384446292 /nfs/dbraw/zinc/44/62/92/384446292.db2.gz UIKXAIHCUKQUEF-UHFFFAOYSA-N 0 3 244.302 0.468 40 0 BCABHN c1cn(Cc2ncn3c2CNCCC3)cn1 ZINC000096259475 384446726 /nfs/dbraw/zinc/44/67/26/384446726.db2.gz MGMDIRSNPBLHBI-UHFFFAOYSA-N 0 3 217.276 0.621 40 0 BCABHN O=C(C1=NO[C@]2(C1)CCCNC2)N1CCCC1 ZINC000096268882 384450533 /nfs/dbraw/zinc/45/05/33/384450533.db2.gz KACBOIVXHZOOIG-LBPRGKRZSA-N 0 3 237.303 0.507 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1N ZINC000096361356 384455227 /nfs/dbraw/zinc/45/52/27/384455227.db2.gz HWYDCYLRWDJCCH-BQBZGAKWSA-N 0 3 202.254 0.237 40 0 BCABHN O=C(C1CCC1)N1CCC2(CC1)CNCCO2 ZINC000096049027 384428341 /nfs/dbraw/zinc/42/83/41/384428341.db2.gz BQPUESFRLCTNAD-UHFFFAOYSA-N 0 3 238.331 0.768 40 0 BCABHN Cc1noc([C@]23COC[C@H]2CN(C(C)C)C3)n1 ZINC000096110049 384434130 /nfs/dbraw/zinc/43/41/30/384434130.db2.gz KHXIWDLZKKJLHA-ZYHUDNBSSA-N 0 3 237.303 0.986 40 0 BCABHN Cn1ncc(CN)c1COC[C@H]1CCCO1 ZINC000408716178 384701884 /nfs/dbraw/zinc/70/18/84/384701884.db2.gz JPWHOHFUHZIKRY-SNVBAGLBSA-N 0 3 225.292 0.574 40 0 BCABHN CCNc1cc(C)nc(N2CCNCC2)n1 ZINC000084495436 384761209 /nfs/dbraw/zinc/76/12/09/384761209.db2.gz NRYGOAKVZCGSKK-UHFFFAOYSA-N 0 3 221.308 0.626 40 0 BCABHN CC(C)[C@@H](N)c1nc(Cn2cccn2)n[nH]1 ZINC000095534747 385045664 /nfs/dbraw/zinc/04/56/64/385045664.db2.gz NFMCFSVOICYWRD-SECBINFHSA-N 0 3 220.280 0.705 40 0 BCABHN CC[C@H](O)c1ccc(N2CCNCC2)nc1 ZINC000072225508 385109626 /nfs/dbraw/zinc/10/96/26/385109626.db2.gz RAWMWTWUNAYRTI-NSHDSACASA-N 0 3 221.304 0.935 40 0 BCABHN CC(C)c1noc(CCNC(=O)[C@H](C)N)n1 ZINC000072220511 385096240 /nfs/dbraw/zinc/09/62/40/385096240.db2.gz ONBUOJHWJAYGKE-ZETCQYMHSA-N 0 3 226.280 0.199 40 0 BCABHN C[C@@H](NC[C@@H]1CCCO1)C(=O)N1CCOCC1 ZINC000004969151 385182085 /nfs/dbraw/zinc/18/20/85/385182085.db2.gz GFPYYFCRILKXIK-MNOVXSKESA-N 0 3 242.319 0.002 40 0 BCABHN Cc1nnc(NC(=O)[C@@H](N)C(C)C)s1 ZINC000135075949 385186270 /nfs/dbraw/zinc/18/62/70/385186270.db2.gz GKUSXBMODMHSDJ-LURJTMIESA-N 0 3 214.294 0.768 40 0 BCABHN Cc1ccc(C(=O)NCCN(C)C)cn1 ZINC000003162902 385197857 /nfs/dbraw/zinc/19/78/57/385197857.db2.gz WHRAKLABLGDWNY-UHFFFAOYSA-N 0 3 207.277 0.681 40 0 BCABHN COc1ccc([C@@H](N)c2nnc[nH]2)cc1OC ZINC000087878951 385228240 /nfs/dbraw/zinc/22/82/40/385228240.db2.gz CJCCILIOBXDFNU-SNVBAGLBSA-N 0 3 234.259 0.870 40 0 BCABHN O=C1N[C@@]2(CCCNC2)N=C1c1cccc(F)c1 ZINC000096516418 385258164 /nfs/dbraw/zinc/25/81/64/385258164.db2.gz QQGVTOIXOCPJSD-CYBMUJFWSA-N 0 3 247.273 0.824 40 0 BCABHN COc1ncc([C@@H](CN)N2CCCCC2)cn1 ZINC000096511158 385248981 /nfs/dbraw/zinc/24/89/81/385248981.db2.gz PAAMYHRUVJPLBO-LLVKDONJSA-N 0 3 236.319 0.971 40 0 BCABHN C[C@@H](N)C(=O)N1CCc2c(ncn2C2CC2)C1 ZINC000096511402 385252916 /nfs/dbraw/zinc/25/29/16/385252916.db2.gz AXPLMHOEJDVGTM-MRVPVSSYSA-N 0 3 234.303 0.450 40 0 BCABHN Cc1cc(C)n2nc(N3CCNCC3)nc2n1 ZINC000096517022 385255662 /nfs/dbraw/zinc/25/56/62/385255662.db2.gz TWNTYMBOSNEPOK-UHFFFAOYSA-N 0 3 232.291 0.151 40 0 BCABHN CC(C)CCN1CCN(C(=O)CN)CC1 ZINC000037823592 385311918 /nfs/dbraw/zinc/31/19/18/385311918.db2.gz BIXVCNRMNOFUKB-UHFFFAOYSA-N 0 3 213.325 0.135 40 0 BCABHN CCS(=O)(=O)[C@@H](CO)[C@@H](N)C(C)(C)C ZINC000096525291 385277529 /nfs/dbraw/zinc/27/75/29/385277529.db2.gz ZQGTXFFZPHBBLM-JGVFFNPUSA-N 0 3 223.338 0.155 40 0 BCABHN C[C@H](O)C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000157776944 385323143 /nfs/dbraw/zinc/32/31/43/385323143.db2.gz IWNQQQJVRACCMX-JQWIXIFHSA-N 0 3 240.347 0.748 40 0 BCABHN CCS(=O)(=O)C[C@H](CN)c1ccco1 ZINC000096532860 385284133 /nfs/dbraw/zinc/28/41/33/385284133.db2.gz BLTYPUXKHNOZCH-QMMMGPOBSA-N 0 3 217.290 0.757 40 0 BCABHN C[C@H](O)[C@@H]1CCCCN1CC(=N)NO ZINC000409428975 385328693 /nfs/dbraw/zinc/32/86/93/385328693.db2.gz NKLSCFRELWEHFW-YUMQZZPRSA-N 0 3 201.270 0.178 40 0 BCABHN C[C@@H](O)[C@@H]1CCCCN1CC(=N)NO ZINC000409428973 385328765 /nfs/dbraw/zinc/32/87/65/385328765.db2.gz NKLSCFRELWEHFW-SFYZADRCSA-N 0 3 201.270 0.178 40 0 BCABHN Cn1ccc2cc(C(=O)N3CC(N)C3)ccc21 ZINC000409424581 385331823 /nfs/dbraw/zinc/33/18/23/385331823.db2.gz WMQWAAZEWXMXEI-UHFFFAOYSA-N 0 3 229.283 0.961 40 0 BCABHN CCn1nc([C@H]2CCCO2)n(C2CNC2)c1=O ZINC000409424637 385333207 /nfs/dbraw/zinc/33/32/07/385333207.db2.gz HMRWMNWUYJDAED-SECBINFHSA-N 0 3 238.291 0.061 40 0 BCABHN C[C@H](NCCN(C)C)C(=O)NCc1ccco1 ZINC000020303679 385457933 /nfs/dbraw/zinc/45/79/33/385457933.db2.gz NTFJBKNTGUQWFR-JTQLQIEISA-N 0 3 239.319 0.436 40 0 BCABHN Nc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717410 385714060 /nfs/dbraw/zinc/71/40/60/385714060.db2.gz RANRPLXWXLGEKK-UHFFFAOYSA-N 0 3 249.318 0.161 40 0 BCABHN CNc1cc([C@H]2CCCN(C(=O)CN)C2)ccn1 ZINC000257241260 385755119 /nfs/dbraw/zinc/75/51/19/385755119.db2.gz HXIVXYWLXOTCCN-NSHDSACASA-N 0 3 248.330 0.788 40 0 BCABHN CN(C)Cc1c[nH]c([C@@H]2CNCCO2)n1 ZINC000257257850 385759012 /nfs/dbraw/zinc/75/90/12/385759012.db2.gz KRHWIQRVMXERLF-VIFPVBQESA-N 0 3 210.281 0.132 40 0 BCABHN CN(C)Cc1cnc([C@@H]2CNCCO2)[nH]1 ZINC000257257850 385759017 /nfs/dbraw/zinc/75/90/17/385759017.db2.gz KRHWIQRVMXERLF-VIFPVBQESA-N 0 3 210.281 0.132 40 0 BCABHN NC[C@H]1CCN(c2ccccc2)S1(=O)=O ZINC000222539721 386052139 /nfs/dbraw/zinc/05/21/39/386052139.db2.gz KWIYIIBSVIIFCK-SNVBAGLBSA-N 0 3 226.301 0.554 40 0 BCABHN NC[C@H]1CC(C(=O)Nc2ccc(F)cc2)=NO1 ZINC000222551990 386052180 /nfs/dbraw/zinc/05/21/80/386052180.db2.gz NHIMWLJEPSWQOD-SECBINFHSA-N 0 3 237.234 0.868 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CN)C1 ZINC000060177071 386487591 /nfs/dbraw/zinc/48/75/91/386487591.db2.gz BQNSQKNGVKRSAL-MRVPVSSYSA-N 0 3 243.307 0.071 40 0 BCABHN NCc1cc(OCC2CCOCC2)ncn1 ZINC000098214045 386582925 /nfs/dbraw/zinc/58/29/25/386582925.db2.gz KERFQQYDLFNYSA-UHFFFAOYSA-N 0 3 223.276 0.741 40 0 BCABHN NCc1cnnn1-c1cccnc1Cl ZINC000575415009 387022282 /nfs/dbraw/zinc/02/22/82/387022282.db2.gz GZRRSZIKPRFXTP-UHFFFAOYSA-N 0 3 209.640 0.774 40 0 BCABHN CC(C)C(=O)N1CCC[C@@]2(CNCCO2)C1 ZINC000096226789 387022653 /nfs/dbraw/zinc/02/26/53/387022653.db2.gz YGLNYKZSZUZXGQ-GFCCVEGCSA-N 0 3 226.320 0.623 40 0 BCABHN c1cc(N2CCNCC2)nc(N2CCCC2)n1 ZINC000084518702 387450852 /nfs/dbraw/zinc/45/08/52/387450852.db2.gz NDLRILBJDPEPJO-UHFFFAOYSA-N 0 3 233.319 0.486 40 0 BCABHN CC(=O)N1CCN(c2cnnc(N(C)C)c2)CC1 ZINC000206723421 387479946 /nfs/dbraw/zinc/47/99/46/387479946.db2.gz OCVXNNUKXAHDET-UHFFFAOYSA-N 0 3 249.318 0.211 40 0 BCABHN CN(C)CCNCc1cnn(CC(F)F)c1 ZINC000256052581 387860980 /nfs/dbraw/zinc/86/09/80/387860980.db2.gz NXKAODPTXPNTFA-UHFFFAOYSA-N 0 3 232.278 0.799 40 0 BCABHN CN1CC[C@H](O)[C@H](Cc2cccnc2)C1 ZINC000243497349 388404213 /nfs/dbraw/zinc/40/42/13/388404213.db2.gz NTKKSPNSFJHPJY-NEPJUHHUSA-N 0 3 206.289 0.937 40 0 BCABHN NC[C@]1(CO)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977149 388384820 /nfs/dbraw/zinc/38/48/20/388384820.db2.gz QXNCMDUPYYDHTH-MNOVXSKESA-N 0 3 241.312 0.170 40 0 BCABHN NC[C@@]1(CO)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217976901 388384879 /nfs/dbraw/zinc/38/48/79/388384879.db2.gz QXNCMDUPYYDHTH-WDEREUQCSA-N 0 3 241.312 0.170 40 0 BCABHN Cc1ccc(S(=O)(=O)[C@@H]2C[C@@]2(N)CN)cc1 ZINC000217989145 388575214 /nfs/dbraw/zinc/57/52/14/388575214.db2.gz NUYWZGSLCCTQKJ-GHMZBOCLSA-N 0 3 240.328 0.197 40 0 BCABHN c1cnc(OC[C@@H]2CC[C@H]3NCCO[C@H]32)nc1 ZINC000247834802 388625246 /nfs/dbraw/zinc/62/52/46/388625246.db2.gz IUKIDKVALJOGET-AXFHLTTASA-N 0 3 235.287 0.622 40 0 BCABHN c1cnc(NC[C@@H]2CC[C@@H]3NCCO[C@@H]23)nc1 ZINC000248054010 388625378 /nfs/dbraw/zinc/62/53/78/388625378.db2.gz ODIXYWNYEWLQJR-DCAQKATOSA-N 0 3 234.303 0.656 40 0 BCABHN C[C@H](O)CNCc1cnc(N2CCCC2)nc1 ZINC000062717829 388655857 /nfs/dbraw/zinc/65/58/57/388655857.db2.gz WOYCDVPNEWYPAM-JTQLQIEISA-N 0 3 236.319 0.547 40 0 BCABHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000062725414 388656603 /nfs/dbraw/zinc/65/66/03/388656603.db2.gz LIHPVZVAIPMQTO-DTWKUNHWSA-N 0 3 232.349 0.362 40 0 BCABHN O=C(C1CCN(C[C@@H]2CO2)CC1)N1CCCC1 ZINC000095097804 388760520 /nfs/dbraw/zinc/76/05/20/388760520.db2.gz VNFQGAQAVAPRFP-GFCCVEGCSA-N 0 3 238.331 0.720 40 0 BCABHN Cc1cc(N(C)C)nc(N2CCNCC2)n1 ZINC000040538838 132296248 /nfs/dbraw/zinc/29/62/48/132296248.db2.gz BNVHGCFEEONQBB-UHFFFAOYSA-N 0 3 221.308 0.261 40 0 BCABHN CSc1nc(C)cc(N2CCNCC2)n1 ZINC000020286691 132331165 /nfs/dbraw/zinc/33/11/65/132331165.db2.gz GKPDUYQDKLGIDT-UHFFFAOYSA-N 0 3 224.333 0.917 40 0 BCABHN COCCCNC(=O)[C@H](N)CC(C)C ZINC000036926697 398080709 /nfs/dbraw/zinc/08/07/09/398080709.db2.gz OFMZCZSZMNYBTE-SECBINFHSA-N 0 3 202.298 0.513 40 0 BCABHN NC1CN(C(=O)c2cccnc2Cl)C1 ZINC000409422768 398084585 /nfs/dbraw/zinc/08/45/85/398084585.db2.gz IPGFVFWXADEOAX-UHFFFAOYSA-N 0 3 211.652 0.518 40 0 BCABHN CCN1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000249689724 170040335 /nfs/dbraw/zinc/04/03/35/170040335.db2.gz JQSJBXSNDGHNHA-IJLUTSLNSA-N 0 3 238.331 0.622 40 0 BCABHN CCOC(=O)[C@]1(CN)CC[C@H](S(C)(=O)=O)C1 ZINC000217935879 170285799 /nfs/dbraw/zinc/28/57/99/170285799.db2.gz OJHUGMCOKXBAJZ-WCBMZHEXSA-N 0 3 249.332 0.092 40 0 BCABHN CCOCCCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000019509842 170378077 /nfs/dbraw/zinc/37/80/77/170378077.db2.gz XQUMOYPQVGKMRS-UWVGGRQHSA-N 0 3 216.325 0.903 40 0 BCABHN CCOCCCNC(=O)[C@H](N)CCSC ZINC000062725410 170378803 /nfs/dbraw/zinc/37/88/03/170378803.db2.gz FAJIWXMUBOTPOK-SECBINFHSA-N 0 3 234.365 0.610 40 0 BCABHN CNc1cc(NCC(OC)OC)nc(C)n1 ZINC000409430591 412305095 /nfs/dbraw/zinc/30/50/95/412305095.db2.gz MQSRQJXLFWNNQY-UHFFFAOYSA-N 0 3 226.280 0.858 40 0 BCABHN CN(C)C(=O)c1cc([C@@H]2CCCCN2)[nH]n1 ZINC000019686737 172388786 /nfs/dbraw/zinc/38/87/86/172388786.db2.gz BVNVQHAKOAZTRO-QMMMGPOBSA-N 0 3 222.292 0.926 40 0 BCABHN CN(C)C(=O)c1cc([C@@H]2CCCCN2)n[nH]1 ZINC000019686737 172388789 /nfs/dbraw/zinc/38/87/89/172388789.db2.gz BVNVQHAKOAZTRO-QMMMGPOBSA-N 0 3 222.292 0.926 40 0 BCABHN Cn1nccc1C(=O)NC1CCN(C)CC1 ZINC000002778201 172994135 /nfs/dbraw/zinc/99/41/35/172994135.db2.gz HPDKNDPBPNQOFF-UHFFFAOYSA-N 0 3 222.292 0.244 40 0 BCABHN CN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000019482423 173067459 /nfs/dbraw/zinc/06/74/59/173067459.db2.gz FQLUBMKVEPJNAQ-ZDUSSCGKSA-N 0 3 247.342 0.851 40 0 BCABHN CN1CCN([C@@H](CO)Cc2ccccc2)CC1 ZINC000022042804 173092917 /nfs/dbraw/zinc/09/29/17/173092917.db2.gz KAFRFBDJOILROW-CQSZACIVSA-N 0 3 234.343 0.837 40 0 BCABHN CN1CCOC[C@@H](Cc2cnccn2)C1 ZINC000257281528 173098161 /nfs/dbraw/zinc/09/81/61/173098161.db2.gz OPQCVLNQXKWTPI-JTQLQIEISA-N 0 3 207.277 0.597 40 0 BCABHN CNC(=O)[C@@]1(C)CN(C2CCOCC2)CCO1 ZINC000072379747 173300753 /nfs/dbraw/zinc/30/07/53/173300753.db2.gz RUPTZFHFYSMQDX-GFCCVEGCSA-N 0 3 242.319 0.002 40 0 BCABHN CNCC(=O)N1CCC[C@H]1c1nc(C)cc(C)n1 ZINC000257242735 173325978 /nfs/dbraw/zinc/32/59/78/173325978.db2.gz IDXFVWYSKXODHY-NSHDSACASA-N 0 3 248.330 0.976 40 0 BCABHN CNCC(=O)N1CCC[C@@H](c2noc(C)n2)C1 ZINC000072361457 173326282 /nfs/dbraw/zinc/32/62/82/173326282.db2.gz ZQTDNHAHVUQFQD-SECBINFHSA-N 0 3 238.291 0.303 40 0 BCABHN CNCC(=O)N1CCC[C@]1(C)c1nc(C)no1 ZINC000257267929 173327049 /nfs/dbraw/zinc/32/70/49/173327049.db2.gz MJMQPAGKLPMWNJ-LLVKDONJSA-N 0 3 238.291 0.435 40 0 BCABHN COC(=O)[C@H]1CNCCN1Cc1ccccc1 ZINC000045076906 173822615 /nfs/dbraw/zinc/82/26/15/173822615.db2.gz SQXCAHIDKZNQFO-GFCCVEGCSA-N 0 3 234.299 0.633 40 0 BCABHN COCCCNC(=S)NCCN(C)C ZINC000002766520 174246056 /nfs/dbraw/zinc/24/60/56/174246056.db2.gz QCNAHYGJURKEIK-UHFFFAOYSA-N 0 3 219.354 0.049 40 0 BCABHN COCCN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC000096182421 174317887 /nfs/dbraw/zinc/31/78/87/174317887.db2.gz KEESDZDNZRQCCZ-TXEJJXNPSA-N 0 3 248.330 0.491 40 0 BCABHN COCCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000070906110 174329835 /nfs/dbraw/zinc/32/98/35/174329835.db2.gz PJWMAVJTLVIWPJ-UHFFFAOYSA-N 0 3 230.308 0.842 40 0 BCABHN COCCNCC(=O)NCc1ccco1 ZINC000004969261 174331685 /nfs/dbraw/zinc/33/16/85/174331685.db2.gz AMJVEEVCNIWXJX-UHFFFAOYSA-N 0 3 212.249 0.132 40 0 BCABHN COc1ccccc1-n1nncc1CN ZINC000062247741 175314342 /nfs/dbraw/zinc/31/43/42/175314342.db2.gz MQQDKBOQSOIYAO-UHFFFAOYSA-N 0 3 204.233 0.735 40 0 BCABHN C[C@@H]1CCC[C@@H](C(=O)N2CCOCC2)N1 ZINC000019508992 176113003 /nfs/dbraw/zinc/11/30/03/176113003.db2.gz JAMLLYGTOFUBRU-ZJUUUORDSA-N 0 3 212.293 0.376 40 0 BCABHN C[C@@H]1CCc2nn(CCN)c(=O)cc2C1 ZINC000095097583 176240251 /nfs/dbraw/zinc/24/02/51/176240251.db2.gz GYTBRBTXDCZDMU-MRVPVSSYSA-N 0 3 207.277 0.327 40 0 BCABHN Cc1cnc(NCC[C@@H]2CCOC23CNC3)nc1 ZINC000253600712 526090605 /nfs/dbraw/zinc/09/06/05/526090605.db2.gz WNMOSLCXPPXJAY-LLVKDONJSA-N 0 3 248.330 0.966 40 0 BCABHN CCc1cc(=O)n(C)c(N2CCC[C@H](N)C2)n1 ZINC000096516756 536094205 /nfs/dbraw/zinc/09/42/05/536094205.db2.gz LTIOJCOMDMOZHQ-VIFPVBQESA-N 0 3 236.319 0.270 40 0 BCABHN CC(C)(C)OC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000066309372 398263911 /nfs/dbraw/zinc/26/39/11/398263911.db2.gz SZLUJRHLIZAWGS-VHSXEESVSA-N 0 3 242.319 0.672 40 0 BCABHN O=c1c2cccnc2ncn1CCN1CCCC1 ZINC000001617225 342705968 /nfs/dbraw/zinc/70/59/68/342705968.db2.gz QURLBUYIHWGEKG-UHFFFAOYSA-N 0 3 244.298 0.887 40 0 BCABHN CCOC(=O)[C@H](N)C(C)(C)N1CCCC1 ZINC000072210595 259317415 /nfs/dbraw/zinc/31/74/15/259317415.db2.gz UMEOJHFLARKXNN-VIFPVBQESA-N 0 3 214.309 0.751 40 0 BCABHN C[C@@H](O)CN1C[C@@H](C)N(C[C@@H](C)O)C[C@H]1C ZINC000022581314 343051864 /nfs/dbraw/zinc/05/18/64/343051864.db2.gz DTQIXUAQWTUJSV-DDHJBXDOSA-N 0 3 230.352 0.143 40 0 BCABHN CN[C@H](CO)c1cccc(OC)c1OC ZINC000038121310 259344581 /nfs/dbraw/zinc/34/45/81/259344581.db2.gz WSYJHYVGTRDFMA-SECBINFHSA-N 0 3 211.261 0.957 40 0 BCABHN COC(=O)[C@@H]1CN(C(C)C)CC[C@@H]1O ZINC000259510436 343134680 /nfs/dbraw/zinc/13/46/80/343134680.db2.gz BYDDANVFDJIXNR-BDAKNGLRSA-N 0 3 201.266 0.251 40 0 BCABHN COC(=O)[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1O ZINC000260858473 343246072 /nfs/dbraw/zinc/24/60/72/343246072.db2.gz WYULCMDCPPGORM-MXWKQRLJSA-N 0 3 243.303 0.021 40 0 BCABHN COC(=O)[C@H](C)CNCc1ccccn1 ZINC000035133523 343286356 /nfs/dbraw/zinc/28/63/56/343286356.db2.gz QMNYSGBLPGDYEY-SECBINFHSA-N 0 3 208.261 0.980 40 0 BCABHN COC(=O)[C@@H](C)CNCc1cccnc1 ZINC000035133526 343286470 /nfs/dbraw/zinc/28/64/70/343286470.db2.gz QKYMYKYXZMLNEV-VIFPVBQESA-N 0 3 208.261 0.980 40 0 BCABHN CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1N ZINC000039091359 343381997 /nfs/dbraw/zinc/38/19/97/343381997.db2.gz HWYDCYLRWDJCCH-RNFRBKRXSA-N 0 3 202.254 0.237 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@H](N2CC(N)C2)C1 ZINC000039952034 343393629 /nfs/dbraw/zinc/39/36/29/343393629.db2.gz VLYFJGWMNGPXSZ-JTQLQIEISA-N 0 3 241.335 0.639 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCN(C)C1 ZINC000079407709 187262969 /nfs/dbraw/zinc/26/29/69/187262969.db2.gz RXWBCVMMDVDYHM-NEPJUHHUSA-N 0 3 239.363 0.665 40 0 BCABHN CC(C)[C@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000079420052 187263004 /nfs/dbraw/zinc/26/30/04/187263004.db2.gz DKMIAZCBSZVMSL-ZJUUUORDSA-N 0 3 213.325 0.132 40 0 BCABHN CC(=O)N(C[C@H]1CCN(CCO)C1)C(C)C ZINC000079416505 187263594 /nfs/dbraw/zinc/26/35/94/187263594.db2.gz CQMUSBWYYIBFFA-LBPRGKRZSA-N 0 3 228.336 0.558 40 0 BCABHN Cc1nn(C2CCCC2)c(=O)n1C1CNC1 ZINC000409428333 343803313 /nfs/dbraw/zinc/80/33/13/343803313.db2.gz ZRNDZGDZULPBBA-UHFFFAOYSA-N 0 3 222.292 0.613 40 0 BCABHN CCn1nc(C2CCCC2)n(C2CNC2)c1=O ZINC000409428022 343802528 /nfs/dbraw/zinc/80/25/28/343802528.db2.gz YAILQFXXOQNJHG-UHFFFAOYSA-N 0 3 236.319 0.867 40 0 BCABHN COc1ccc(Cn2cc(CN)nn2)cc1F ZINC000050224485 343782485 /nfs/dbraw/zinc/78/24/85/343782485.db2.gz CMTTWOUJBRQQTI-UHFFFAOYSA-N 0 3 236.250 0.933 40 0 BCABHN CNc1cc(N2CCCN(C)CC2)nc(C)n1 ZINC000128151559 343787199 /nfs/dbraw/zinc/78/71/99/343787199.db2.gz FYFVVNGILLULLI-UHFFFAOYSA-N 0 3 235.335 0.969 40 0 BCABHN CC(C)N(C(=O)CN1CC[C@@H](CO)C1)C(C)C ZINC000051886837 343789471 /nfs/dbraw/zinc/78/94/71/343789471.db2.gz MYKNTWHPUQFHNC-GFCCVEGCSA-N 0 3 242.363 0.946 40 0 BCABHN CNCC(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000308562806 343790121 /nfs/dbraw/zinc/79/01/21/343790121.db2.gz WZYDUZFLXLURHZ-LURJTMIESA-N 0 3 210.199 0.617 40 0 BCABHN CCOC[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000313271340 343791496 /nfs/dbraw/zinc/79/14/96/343791496.db2.gz WCGTTWTVBYYDQV-VHSXEESVSA-N 0 3 214.309 0.751 40 0 BCABHN NCC(=O)N1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000211235145 343791865 /nfs/dbraw/zinc/79/18/65/343791865.db2.gz IWOBTGPRUWWDMP-NWDGAFQWSA-N 0 3 234.299 0.180 40 0 BCABHN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1OC ZINC000235011199 343794881 /nfs/dbraw/zinc/79/48/81/343794881.db2.gz IIDPJXKYMZFKFB-HBNTYKKESA-N 0 3 242.319 0.001 40 0 BCABHN CC1CCN(C(=O)[C@@H]2C[C@@H](F)CN2)CC1 ZINC000378679729 343795077 /nfs/dbraw/zinc/79/50/77/343795077.db2.gz UOEIHBGFHDIONA-ZJUUUORDSA-N 0 3 214.284 0.945 40 0 BCABHN CNCC(=O)N1CC[C@@]2(C1)C[C@H](OC)CCO2 ZINC000409428357 343803046 /nfs/dbraw/zinc/80/30/46/343803046.db2.gz GINMSZNORGQJGI-PWSUYJOCSA-N 0 3 242.319 0.002 40 0 BCABHN C[C@H](N)C(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000304545782 343797438 /nfs/dbraw/zinc/79/74/38/343797438.db2.gz JLPPWAXQGCYKTO-LURJTMIESA-N 0 3 240.225 0.249 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000306218690 343797507 /nfs/dbraw/zinc/79/75/07/343797507.db2.gz LOSBUJMYGZOACF-WDSKDSINSA-N 0 3 210.199 0.744 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H](C)N)CC12CCCC2 ZINC000409426564 343798614 /nfs/dbraw/zinc/79/86/14/343798614.db2.gz CKDQBBOQKCJTEQ-MNOVXSKESA-N 0 3 240.347 0.999 40 0 BCABHN CC(C)CN1CC[C@@H](n2cc(C=O)nn2)C1 ZINC000409428405 343803138 /nfs/dbraw/zinc/80/31/38/343803138.db2.gz ZVRPEXDIONMBML-LLVKDONJSA-N 0 3 222.292 0.993 40 0 BCABHN CCN1CC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409426878 343799619 /nfs/dbraw/zinc/79/96/19/343799619.db2.gz STVPHHRICXOKRC-VIFPVBQESA-N 0 3 208.265 0.432 40 0 BCABHN NCC(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409427038 343799971 /nfs/dbraw/zinc/79/99/71/343799971.db2.gz JICSIEFMJINUKJ-BQBZGAKWSA-N 0 3 204.220 0.449 40 0 BCABHN N=C(CN1C[C@H]2CCCC[C@]2(CO)C1)NO ZINC000409427067 343800142 /nfs/dbraw/zinc/80/01/42/343800142.db2.gz DPJCYKBFVDWXJC-MWLCHTKSSA-N 0 3 227.308 0.427 40 0 BCABHN NCC(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409427042 343800165 /nfs/dbraw/zinc/80/01/65/343800165.db2.gz JICSIEFMJINUKJ-RNFRBKRXSA-N 0 3 204.220 0.449 40 0 BCABHN COc1ccc2c(c1)OC1(CNC1)C[C@@H]2O ZINC000409431330 343801161 /nfs/dbraw/zinc/80/11/61/343801161.db2.gz JGLGACSYPVMNNY-JTQLQIEISA-N 0 3 221.256 0.853 40 0 BCABHN CC(C)C[C@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409427749 343801711 /nfs/dbraw/zinc/80/17/11/343801711.db2.gz FHJHSVZPBVKVDE-UWVGGRQHSA-N 0 3 229.324 0.671 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCSC1 ZINC000409432733 343827588 /nfs/dbraw/zinc/82/75/88/343827588.db2.gz LTFDIUJULUMFID-CBAPKCEASA-N 0 3 214.334 0.830 40 0 BCABHN CC(=O)c1ccc(C(=O)N2CC(N)C2)cc1 ZINC000409422347 343813372 /nfs/dbraw/zinc/81/33/72/343813372.db2.gz CSWMGBJQKZHOKC-UHFFFAOYSA-N 0 3 218.256 0.672 40 0 BCABHN Cc1ccccc1OCC(=O)N1CC(N)C1 ZINC000409423636 343815680 /nfs/dbraw/zinc/81/56/80/343815680.db2.gz PQIZICCHFKAFBG-UHFFFAOYSA-N 0 3 220.272 0.543 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 ZINC000409432754 343827680 /nfs/dbraw/zinc/82/76/80/343827680.db2.gz WHNSENSESGLLOC-ZJUUUORDSA-N 0 3 236.319 0.473 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@H]1C ZINC000409423794 343816399 /nfs/dbraw/zinc/81/63/99/343816399.db2.gz ALPBTZBSCQIHOV-SDDRHHMPSA-N 0 3 240.347 0.869 40 0 BCABHN CO[C@@H]1CCOC2(CCN(C(=O)CN)CC2)C1 ZINC000409424078 343816878 /nfs/dbraw/zinc/81/68/78/343816878.db2.gz BDGDIJSRBNECCE-SNVBAGLBSA-N 0 3 242.319 0.132 40 0 BCABHN NC1CN(C(=O)Cn2ccc3ccccc32)C1 ZINC000409424322 343817375 /nfs/dbraw/zinc/81/73/75/343817375.db2.gz UMPRUPLFACXKRL-UHFFFAOYSA-N 0 3 229.283 0.811 40 0 BCABHN CN1CCC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409425059 343818186 /nfs/dbraw/zinc/81/81/86/343818186.db2.gz JGJRNONMFGWKTE-VIFPVBQESA-N 0 3 208.265 0.432 40 0 BCABHN CN1CCC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409425058 343818198 /nfs/dbraw/zinc/81/81/98/343818198.db2.gz JGJRNONMFGWKTE-SECBINFHSA-N 0 3 208.265 0.432 40 0 BCABHN C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000409425194 343818668 /nfs/dbraw/zinc/81/86/68/343818668.db2.gz FKRIKPGIOWNFJL-QJPTWQEYSA-N 0 3 240.347 0.748 40 0 BCABHN CCOC[C@@H]1CN(CC(=N)NO)CC1(C)C ZINC000409425298 343818764 /nfs/dbraw/zinc/81/87/64/343818764.db2.gz AGKNJRONNDJCQX-VIFPVBQESA-N 0 3 229.324 0.937 40 0 BCABHN CNCC(=O)N(C1CC1)[C@@H]1CCSC1 ZINC000409425523 343819674 /nfs/dbraw/zinc/81/96/74/343819674.db2.gz AMBGBASXGWVBKH-SECBINFHSA-N 0 3 214.334 0.702 40 0 BCABHN CCN1CCCC[C@@H]1Cn1cc(CO)nn1 ZINC000409426349 343822514 /nfs/dbraw/zinc/82/25/14/343822514.db2.gz QMNHEIJTBQRLOV-LLVKDONJSA-N 0 3 224.308 0.645 40 0 BCABHN Oc1ccc2c(c1)[C@H](O)CC1(CNC1)O2 ZINC000409431892 343822866 /nfs/dbraw/zinc/82/28/66/343822866.db2.gz LRSIRIADNRHLKJ-SECBINFHSA-N 0 3 207.229 0.550 40 0 BCABHN CCOC[C@@H]1CCCN1CC(=N)NO ZINC000409431610 343823959 /nfs/dbraw/zinc/82/39/59/343823959.db2.gz SRPRIFQRUPDYOS-QMMMGPOBSA-N 0 3 201.270 0.443 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@@H]2CCCC[C@H]21 ZINC000409428612 343804255 /nfs/dbraw/zinc/80/42/55/343804255.db2.gz GTTXXLZCPUKFLO-GARJFASQSA-N 0 3 226.320 0.751 40 0 BCABHN CC[C@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409430246 343807574 /nfs/dbraw/zinc/80/75/74/343807574.db2.gz IGFWRAVIJFOWAJ-YUMQZZPRSA-N 0 3 201.270 0.035 40 0 BCABHN CC[C@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409430244 343807691 /nfs/dbraw/zinc/80/76/91/343807691.db2.gz IGFWRAVIJFOWAJ-JGVFFNPUSA-N 0 3 201.270 0.035 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC(F)(F)C[C@H]1CO ZINC000409430415 343808250 /nfs/dbraw/zinc/80/82/50/343808250.db2.gz IOEVMJOEOPOKKV-DTWKUNHWSA-N 0 3 248.273 0.357 40 0 BCABHN CCC[C@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409431127 343809774 /nfs/dbraw/zinc/80/97/74/343809774.db2.gz JLOMPFKYXNLAJN-IUCAKERBSA-N 0 3 215.297 0.425 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000390499897 343810320 /nfs/dbraw/zinc/81/03/20/343810320.db2.gz UFLFCIGYMBWPKR-RNJXMRFFSA-N 0 3 218.247 0.837 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCC(CCO)CC1 ZINC000401039103 343811416 /nfs/dbraw/zinc/81/14/16/343811416.db2.gz SQEJOINOPRSZHM-LBPRGKRZSA-N 0 3 240.347 0.750 40 0 BCABHN Oc1cccc2c1[C@@H](O)CC1(CNC1)O2 ZINC000409433557 343829235 /nfs/dbraw/zinc/82/92/35/343829235.db2.gz SNVCHYYMPSXSPR-QMMMGPOBSA-N 0 3 207.229 0.550 40 0 BCABHN CO[C@H]1CCO[C@]2(CCCN(C(=O)CN)C2)C1 ZINC000409434017 343831006 /nfs/dbraw/zinc/83/10/06/343831006.db2.gz NXMHDJLEXJYXOZ-CMPLNLGQSA-N 0 3 242.319 0.132 40 0 BCABHN CNCC(=O)N1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409434772 343834708 /nfs/dbraw/zinc/83/47/08/343834708.db2.gz QNDDSRALKVXTMF-QWRGUYRKSA-N 0 3 226.320 0.215 40 0 BCABHN NCC(=O)N1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409435107 343836390 /nfs/dbraw/zinc/83/63/90/343836390.db2.gz SIVKSCHRGMGECD-JTQLQIEISA-N 0 3 226.320 0.346 40 0 BCABHN N=C(CN1CC[C@](CO)(C(F)(F)F)C1)NO ZINC000409436199 343838079 /nfs/dbraw/zinc/83/80/79/343838079.db2.gz YOBRGABZJBCREN-ZETCQYMHSA-N 0 3 241.213 0.189 40 0 BCABHN CCOCC1(C)CCN(C(=O)CN)CC1 ZINC000409436324 343838495 /nfs/dbraw/zinc/83/84/95/343838495.db2.gz ZGRHTEZEOOYOPQ-UHFFFAOYSA-N 0 3 214.309 0.610 40 0 BCABHN CNc1nccnc1C1CCN(CCO)CC1 ZINC000072356873 187276464 /nfs/dbraw/zinc/27/64/64/187276464.db2.gz JRLOIYPGVSQISQ-UHFFFAOYSA-N 0 3 236.319 0.690 40 0 BCABHN N=C(N)c1cnn2ccn(CC3CC3)c12 ZINC000409437559 343840636 /nfs/dbraw/zinc/84/06/36/343840636.db2.gz HDSPNZZBAVIFKC-UHFFFAOYSA-N 0 3 203.249 0.830 40 0 BCABHN COc1ccc([C@H]2C[C@@H](N)C(=O)N2C)cc1 ZINC000409442591 343861063 /nfs/dbraw/zinc/86/10/63/343861063.db2.gz XUWGFKWZAXGEAN-GHMZBOCLSA-N 0 3 220.272 0.926 40 0 BCABHN CN1CCN(c2ccc([C@H](O)CN)o2)CC1 ZINC000409442677 343863639 /nfs/dbraw/zinc/86/36/39/343863639.db2.gz ZBDWGWKGIYHDAX-SECBINFHSA-N 0 3 225.292 0.024 40 0 BCABHN CCN1CCN(c2cc(NC)nc(C)n2)CC1 ZINC000127796997 345222989 /nfs/dbraw/zinc/22/29/89/345222989.db2.gz GNTMRMMPHNRFHS-UHFFFAOYSA-N 0 3 235.335 0.969 40 0 BCABHN CCS(=O)(=O)c1ccc(CN)cn1 ZINC000142563079 345872297 /nfs/dbraw/zinc/87/22/97/345872297.db2.gz DMVKZJOQLIFNMA-UHFFFAOYSA-N 0 3 200.263 0.334 40 0 BCABHN NC1CN(C(=O)c2c(F)cccc2F)C1 ZINC000082590350 345910446 /nfs/dbraw/zinc/91/04/46/345910446.db2.gz IRGFCWRDPXBNCD-UHFFFAOYSA-N 0 3 212.199 0.748 40 0 BCABHN CCOC[C@@H]1CCCN(C(=O)CN)C1 ZINC000083887802 345920650 /nfs/dbraw/zinc/92/06/50/345920650.db2.gz WEJOEYONSDQBIV-SECBINFHSA-N 0 3 200.282 0.220 40 0 BCABHN Cc1cc(N2CCNCC2)nc(NC2CC2)n1 ZINC000084518705 345923371 /nfs/dbraw/zinc/92/33/71/345923371.db2.gz MAPSBZYZYNNBLZ-UHFFFAOYSA-N 0 3 233.319 0.769 40 0 BCABHN Cc1nc(N)cc(NC[C@@H]2CCCO2)n1 ZINC000087808356 345942334 /nfs/dbraw/zinc/94/23/34/345942334.db2.gz VUFVGBDIDCWSOD-QMMMGPOBSA-N 0 3 208.265 0.958 40 0 BCABHN CC1(C)NCCN[C@@]1(O)c1ccccc1 ZINC000019364104 187313759 /nfs/dbraw/zinc/31/37/59/187313759.db2.gz KHFHTAQZTXVFJN-GFCCVEGCSA-N 0 3 206.289 0.803 40 0 BCABHN CCN(CC)C(=O)CN1CC[C@H](CO)C1 ZINC000051887042 346193353 /nfs/dbraw/zinc/19/33/53/346193353.db2.gz NWINQEPYGDYVGP-JTQLQIEISA-N 0 3 214.309 0.169 40 0 BCABHN CCN(CC)C(=O)CN1CC[C@@H](CO)C1 ZINC000051887043 346193491 /nfs/dbraw/zinc/19/34/91/346193491.db2.gz NWINQEPYGDYVGP-SNVBAGLBSA-N 0 3 214.309 0.169 40 0 BCABHN CCN(CC)CCN[C@@H](C)C(=O)N1CCCC1 ZINC000019526407 347338641 /nfs/dbraw/zinc/33/86/41/347338641.db2.gz RVQWZZJOWZKKDS-LBPRGKRZSA-N 0 3 241.379 0.929 40 0 BCABHN Cc1cccc2cc(CNCCO)c(=O)[nH]c12 ZINC000004130446 179226520 /nfs/dbraw/zinc/22/65/20/179226520.db2.gz BIVWDZDIAQXIQO-UHFFFAOYSA-N 0 3 232.283 0.918 40 0 BCABHN Cc1ccccc1NC(=O)C(=O)NCCN(C)C ZINC000005184303 179297465 /nfs/dbraw/zinc/29/74/65/179297465.db2.gz SVUHAKLTPYKKJJ-UHFFFAOYSA-N 0 3 249.314 0.611 40 0 BCABHN Cc1ncc([C@H](CN)N2CCCC2)cn1 ZINC000096511155 180173866 /nfs/dbraw/zinc/17/38/66/180173866.db2.gz CJVFQPARUHYRME-NSHDSACASA-N 0 3 206.293 0.881 40 0 BCABHN Cc1cc(-c2cc(CN)ncn2)nn1C ZINC000074207793 350238392 /nfs/dbraw/zinc/23/83/92/350238392.db2.gz CYHHYHNGIUXXIB-UHFFFAOYSA-N 0 3 203.249 0.644 40 0 BCABHN Cc1nn(C)c(C)c1CN1CCC[C@@H](O)C1 ZINC000299613123 180338070 /nfs/dbraw/zinc/33/80/70/180338070.db2.gz VGRLLPXILNRIMD-LLVKDONJSA-N 0 3 223.320 0.994 40 0 BCABHN CO[C@H]1CCO[C@@]2(CCCN(C(=O)CN)C2)C1 ZINC000409434020 350473335 /nfs/dbraw/zinc/47/33/35/350473335.db2.gz NXMHDJLEXJYXOZ-JQWIXIFHSA-N 0 3 242.319 0.132 40 0 BCABHN CC(C)(C)OC(=O)N1CCCN[C@@H](CO)C1 ZINC000044560027 352356632 /nfs/dbraw/zinc/35/66/32/352356632.db2.gz QZEXEMCTCCKSDQ-SECBINFHSA-N 0 3 230.308 0.578 40 0 BCABHN CC(=O)N(C[C@H]1CCCN1CCO)C1CC1 ZINC000079416561 188291667 /nfs/dbraw/zinc/29/16/67/188291667.db2.gz ISPYYRIUPAZBNC-GFCCVEGCSA-N 0 3 226.320 0.454 40 0 BCABHN COc1ccc([C@@H](N)c2nc(CO)n[nH]2)cc1 ZINC000095533771 188320821 /nfs/dbraw/zinc/32/08/21/188320821.db2.gz XNEGSSLEOMSKQO-SNVBAGLBSA-N 0 3 234.259 0.354 40 0 BCABHN CC(C)C[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000019488952 356643342 /nfs/dbraw/zinc/64/33/42/356643342.db2.gz AJYJSQHSJGEWAP-ZJUUUORDSA-N 0 3 214.309 0.655 40 0 BCABHN CCOC(=O)N1CC[C@@](C)(O)[C@@H](N(C)C)C1 ZINC000685936031 538756906 /nfs/dbraw/zinc/75/69/06/538756906.db2.gz AUNAKCLQFUKSED-GXSJLCMTSA-N 0 3 230.308 0.530 40 0 BCABHN NCC(=O)N(Cc1ccccn1)C1CC1 ZINC000037803323 181348507 /nfs/dbraw/zinc/34/85/07/181348507.db2.gz MUKQBMUXAKRJGB-UHFFFAOYSA-N 0 3 205.261 0.531 40 0 BCABHN NCC(=O)NCCCOc1ccccc1F ZINC000041246984 181352618 /nfs/dbraw/zinc/35/26/18/181352618.db2.gz RAZVRPJRESTVJE-UHFFFAOYSA-N 0 3 226.251 0.670 40 0 BCABHN CSCC[C@H](N)C(=O)N1CCCC1 ZINC000011754910 370750264 /nfs/dbraw/zinc/75/02/64/370750264.db2.gz XVGCJJBXAPGGKC-QMMMGPOBSA-N 0 3 202.323 0.689 40 0 BCABHN CNc1cncc([C@H]2CCCN(CCO)C2)n1 ZINC000205701804 368360109 /nfs/dbraw/zinc/36/01/09/368360109.db2.gz HXGGSOXTQYDLKP-JTQLQIEISA-N 0 3 236.319 0.690 40 0 BCABHN O[C@H]1CN[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000252499885 370062574 /nfs/dbraw/zinc/06/25/74/370062574.db2.gz SICQIBMMRVDSMK-GMSGAONNSA-N 0 3 203.245 0.958 40 0 BCABHN CO[C@H]1CN[C@H](c2nc3ccncc3c(=O)[nH]2)C1 ZINC000253536077 370175304 /nfs/dbraw/zinc/17/53/04/370175304.db2.gz GXQPDRXAADVDEQ-XCBNKYQSSA-N 0 3 246.270 0.780 40 0 BCABHN CO[C@@H]1CN[C@@H](c2nc3ccncc3c(=O)[nH]2)C1 ZINC000253536076 370175790 /nfs/dbraw/zinc/17/57/90/370175790.db2.gz GXQPDRXAADVDEQ-OIBJUYFYSA-N 0 3 246.270 0.780 40 0 BCABHN CCCN1CCN(CCCO)C[C@@H]1C ZINC000019365627 169203348 /nfs/dbraw/zinc/20/33/48/169203348.db2.gz CSJVAAZQDMGVOA-NSHDSACASA-N 0 3 200.326 0.785 40 0 BCABHN CCCN1CCO[C@@]2(C1)CNCCOC2 ZINC000096228932 169205566 /nfs/dbraw/zinc/20/55/66/169205566.db2.gz VAVXHJDWXXNYET-LLVKDONJSA-N 0 3 214.309 0.087 40 0 BCABHN c1nnn2c1CO[C@H](CNCc1ccncc1)C2 ZINC000096061000 183350599 /nfs/dbraw/zinc/35/05/99/183350599.db2.gz NJWQATVYHHTYJW-GFCCVEGCSA-N 0 3 245.286 0.362 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1C ZINC000409434146 383828857 /nfs/dbraw/zinc/82/88/57/383828857.db2.gz OIACXDACAVHDLX-AEJSXWLSSA-N 0 3 214.309 0.465 40 0 BCABHN CC(C)(C)OC(=O)N1CCCNC[C@@H]1CO ZINC000071864462 384003251 /nfs/dbraw/zinc/00/32/51/384003251.db2.gz ZBEPNWDUNCVGNX-SECBINFHSA-N 0 3 230.308 0.578 40 0 BCABHN CN(C)CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000004174903 384043381 /nfs/dbraw/zinc/04/33/81/384043381.db2.gz SZBYGOAKJVWDOK-DTIDVZRVSA-N 0 3 234.299 0.355 40 0 BCABHN CO[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392050 384134325 /nfs/dbraw/zinc/13/43/25/384134325.db2.gz HQMGSIVIURSYHH-IUCAKERBSA-N 0 3 200.282 0.217 40 0 BCABHN CC(=O)N1CCC[C@H](N(CCO)C2CC2)C1 ZINC000079405486 384134489 /nfs/dbraw/zinc/13/44/89/384134489.db2.gz GCWMBZJLJNZELH-LBPRGKRZSA-N 0 3 226.320 0.454 40 0 BCABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCN(C)C1 ZINC000079407592 384135553 /nfs/dbraw/zinc/13/55/53/384135553.db2.gz NKCXJYQXZIKVJK-NEPJUHHUSA-N 0 3 241.379 0.912 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C)C1 ZINC000079407387 384136272 /nfs/dbraw/zinc/13/62/72/384136272.db2.gz HNGGYBXVWVGZEZ-GXSJLCMTSA-N 0 3 225.336 0.419 40 0 BCABHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCO ZINC000079407805 384137075 /nfs/dbraw/zinc/13/70/75/384137075.db2.gz ROKNTGDEDWTVBD-SNVBAGLBSA-N 0 3 244.335 0.968 40 0 BCABHN COC(=O)c1cc([O-])c2sc(C)c(C)[n+]2n1 ZINC000005503834 384119090 /nfs/dbraw/zinc/11/90/90/384119090.db2.gz FYNMHTBHDKHBNN-UHFFFAOYSA-O 0 3 239.276 0.579 40 0 BCABHN COC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079392046 384132327 /nfs/dbraw/zinc/13/23/27/384132327.db2.gz SAKAPPNOEJPHOC-DTWKUNHWSA-N 0 3 200.282 0.219 40 0 BCABHN CN(Cc1ccc(Cl)nn1)C(=O)CN ZINC000079435654 384146797 /nfs/dbraw/zinc/14/67/97/384146797.db2.gz TYGDZRLKARHXKJ-UHFFFAOYSA-N 0 3 214.656 0.047 40 0 BCABHN C[C@H](c1cnccn1)N(C)C(=O)[C@H](C)N ZINC000079435803 384146901 /nfs/dbraw/zinc/14/69/01/384146901.db2.gz DBOQSQORACTPCZ-JGVFFNPUSA-N 0 3 208.265 0.343 40 0 BCABHN COC(=O)c1ccc(CNC(=O)CN)cc1 ZINC000040414638 384150645 /nfs/dbraw/zinc/15/06/45/384150645.db2.gz YEXOOTYTZUHESK-UHFFFAOYSA-N 0 3 222.244 0.048 40 0 BCABHN CCN(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(C)=O ZINC000079417617 384139449 /nfs/dbraw/zinc/13/94/49/384139449.db2.gz MSENCACMILCQFF-ONGXEEELSA-N 0 3 241.335 0.051 40 0 BCABHN CC(=O)N(C1CC1)[C@H]1CCN(CCO)C1 ZINC000079416556 384139682 /nfs/dbraw/zinc/13/96/82/384139682.db2.gz PXVPWQBQOYDPGT-NSHDSACASA-N 0 3 212.293 0.064 40 0 BCABHN CC(=O)N(C(C)C)[C@@H]1CCCN(CCO)C1 ZINC000079416511 384140577 /nfs/dbraw/zinc/14/05/77/384140577.db2.gz FRNQCHQTKVILRU-GFCCVEGCSA-N 0 3 228.336 0.700 40 0 BCABHN CC(=O)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000072344096 384208502 /nfs/dbraw/zinc/20/85/02/384208502.db2.gz LSMYWHRUQSVDFZ-JTQLQIEISA-N 0 3 249.318 0.107 40 0 BCABHN CNc1cncc(C2CCN(CCO)CC2)n1 ZINC000072356872 384211761 /nfs/dbraw/zinc/21/17/61/384211761.db2.gz PWFNCVYYBALUEX-UHFFFAOYSA-N 0 3 236.319 0.690 40 0 BCABHN CC[N@@H+](CC(=O)[O-])CC1CCN(C)CC1 ZINC000083318547 384287055 /nfs/dbraw/zinc/28/70/55/384287055.db2.gz HNEWIVUBUIVVBQ-UHFFFAOYSA-N 0 3 214.309 0.735 40 0 BCABHN CC[N@H+](CC(=O)[O-])CC1CCN(C)CC1 ZINC000083318547 384287056 /nfs/dbraw/zinc/28/70/56/384287056.db2.gz HNEWIVUBUIVVBQ-UHFFFAOYSA-N 0 3 214.309 0.735 40 0 BCABHN CC(C)CCN1CCc2nnc(CO)n2CC1 ZINC000096259187 384446103 /nfs/dbraw/zinc/44/61/03/384446103.db2.gz ABDHZZYJTFJILA-UHFFFAOYSA-N 0 3 238.335 0.675 40 0 BCABHN c1cnn(Cc2nnn3c2CNCCC3)c1 ZINC000096259620 384446540 /nfs/dbraw/zinc/44/65/40/384446540.db2.gz PQEYGFSEJGMPQO-UHFFFAOYSA-N 0 3 218.264 0.016 40 0 BCABHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C)no1 ZINC000096184242 384439731 /nfs/dbraw/zinc/43/97/31/384439731.db2.gz ZHNPOGQBASXNAJ-WDEREUQCSA-N 0 3 235.287 0.902 40 0 BCABHN Cn1c(=O)ccc2c1CCN([C@@H]1CCOC1)CC2 ZINC000096196637 384442254 /nfs/dbraw/zinc/44/22/54/384442254.db2.gz UNXJBBBTHSZWST-GFCCVEGCSA-N 0 3 248.326 0.575 40 0 BCABHN Nc1cc(OCCN2CCOCC2)ccn1 ZINC000098175309 384595725 /nfs/dbraw/zinc/59/57/25/384595725.db2.gz RWGVAUJAGXRGRF-UHFFFAOYSA-N 0 3 223.276 0.375 40 0 BCABHN [NH3+][C@@H]1CCN(c2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000057342899 384887543 /nfs/dbraw/zinc/88/75/43/384887543.db2.gz BNYKSZCHZLSZEQ-RXMQYKEDSA-N 0 3 248.208 0.326 40 0 BCABHN N[C@@H](C[C@H]([NH3+])C(=O)[O-])c1ccc(F)cc1 ZINC000259461607 384926616 /nfs/dbraw/zinc/92/66/16/384926616.db2.gz OQRQEHHYQFHKKC-IUCAKERBSA-N 0 3 212.224 0.628 40 0 BCABHN N[C@@H](C[C@H]([NH3+])c1ccc(F)cc1)C(=O)[O-] ZINC000259461607 384926625 /nfs/dbraw/zinc/92/66/25/384926625.db2.gz OQRQEHHYQFHKKC-IUCAKERBSA-N 0 3 212.224 0.628 40 0 BCABHN O=C1NCC[C@@H]2CN(Cc3ccoc3)C[C@H]12 ZINC000107824603 385003052 /nfs/dbraw/zinc/00/30/52/385003052.db2.gz QNPGOMXWJYATHN-MNOVXSKESA-N 0 3 220.272 0.848 40 0 BCABHN CN(C)C(=O)c1conc1[C@@H]1CCCN1 ZINC000072208422 385061772 /nfs/dbraw/zinc/06/17/72/385061772.db2.gz ICZZXMDLWJUWKI-QMMMGPOBSA-N 0 3 209.249 0.801 40 0 BCABHN CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000060257983 385072259 /nfs/dbraw/zinc/07/22/59/385072259.db2.gz CJJGXBSKAVXLRN-UHFFFAOYSA-N 0 3 239.363 0.492 40 0 BCABHN CCCNc1ncc(CNCCO)cn1 ZINC000062717672 385041197 /nfs/dbraw/zinc/04/11/97/385041197.db2.gz RSRUDNPEMHARBE-UHFFFAOYSA-N 0 3 210.281 0.380 40 0 BCABHN O=C1C2=CNNC2C(=O)N1Cc1ccccc1 ZINC000018144785 385042332 /nfs/dbraw/zinc/04/23/32/385042332.db2.gz CBFHOYBSZUEILM-VHSXEESVSA-N 0 3 229.239 0.129 40 0 BCABHN CC(C)[C@H](N)c1nc(Cn2cncn2)n[nH]1 ZINC000095534736 385045259 /nfs/dbraw/zinc/04/52/59/385045259.db2.gz HFGLBVVQBIXXGJ-QMMMGPOBSA-N 0 3 221.268 0.100 40 0 BCABHN Cc1nc(N2CCNCC2)ccc1[C@@H](C)O ZINC000072224620 385120014 /nfs/dbraw/zinc/12/00/14/385120014.db2.gz YDLFIXNMHIJNCR-SNVBAGLBSA-N 0 3 221.304 0.853 40 0 BCABHN CC(C)c1noc(CNC(=O)[C@@H](C)N)n1 ZINC000072220512 385097545 /nfs/dbraw/zinc/09/75/45/385097545.db2.gz VTGGRHBOZLIQQI-ZCFIWIBFSA-N 0 3 212.253 0.156 40 0 BCABHN [NH3+][C@@H]1CCN(c2nc(=O)c3sccc3[n-]2)C1 ZINC000096515918 385258118 /nfs/dbraw/zinc/25/81/18/385258118.db2.gz HNHRCBGUQGUYDW-ZCFIWIBFSA-N 0 3 236.300 0.522 40 0 BCABHN Cn1c(N2CC[C@H](N)C2)nc2c(c1=O)CCCC2 ZINC000096516839 385251907 /nfs/dbraw/zinc/25/19/07/385251907.db2.gz GRJGZXDRQILXQX-VIFPVBQESA-N 0 3 248.330 0.197 40 0 BCABHN NCCn1ccn2nc(-c3ccco3)cc2c1=O ZINC000096517334 385255358 /nfs/dbraw/zinc/25/53/58/385255358.db2.gz OCQTXCIEKWZMLI-UHFFFAOYSA-N 0 3 244.254 0.715 40 0 BCABHN Cc1noc(-c2cncnc2N2CCNCC2)n1 ZINC000096517311 385255941 /nfs/dbraw/zinc/25/59/41/385255941.db2.gz GBTPKDQIYKTRFB-UHFFFAOYSA-N 0 3 246.274 0.245 40 0 BCABHN NCc1cn(CC(=O)N2CCCCCC2)nn1 ZINC000050224538 385312366 /nfs/dbraw/zinc/31/23/66/385312366.db2.gz UBBCANZLZLBRSH-UHFFFAOYSA-N 0 3 237.307 0.139 40 0 BCABHN COC[C@@H]1CCCCN1C(=O)[C@@H](C)N ZINC000211675823 385321413 /nfs/dbraw/zinc/32/14/13/385321413.db2.gz HLUQYDXJLLJZAV-BDAKNGLRSA-N 0 3 200.282 0.361 40 0 BCABHN CN1c2ccccc2C(=O)N[C@]12CCCNC2 ZINC000096516592 385258674 /nfs/dbraw/zinc/25/86/74/385258674.db2.gz WAXIBONTFPFFGL-CYBMUJFWSA-N 0 3 231.299 0.946 40 0 BCABHN O=c1c2c(ncn1C[C@@H]1CCCO1)CCNC2 ZINC000096516471 385259195 /nfs/dbraw/zinc/25/91/95/385259195.db2.gz HCVISHMIRKMRDQ-VIFPVBQESA-N 0 3 235.287 0.068 40 0 BCABHN O=C(c1[nH]nc2c1CNC2)N1CCCCC1 ZINC000096516096 385259581 /nfs/dbraw/zinc/25/95/81/385259581.db2.gz PRDJOZWWQVDLNS-UHFFFAOYSA-N 0 3 220.276 0.639 40 0 BCABHN Cn1ccc(CNCCN2CCCCC2)n1 ZINC000096524389 385274258 /nfs/dbraw/zinc/27/42/58/385274258.db2.gz QTGUPNCZGCXMOJ-UHFFFAOYSA-N 0 3 222.336 0.996 40 0 BCABHN CCS(=O)(=O)C1(CN)CC2(CC2)C1 ZINC000096527000 385280406 /nfs/dbraw/zinc/28/04/06/385280406.db2.gz YMOQZPHXYKLZAO-UHFFFAOYSA-N 0 3 203.307 0.693 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@@H](COC)C[C@@H]1C ZINC000096532333 385282741 /nfs/dbraw/zinc/28/27/41/385282741.db2.gz DHXKYOXVOHXQKP-DCAQKATOSA-N 0 3 249.376 0.811 40 0 BCABHN CS(=O)(=O)C[C@H](CN)c1ccco1 ZINC000096532856 385285169 /nfs/dbraw/zinc/28/51/69/385285169.db2.gz YWJUGBIYTZCSGN-ZETCQYMHSA-N 0 3 203.263 0.367 40 0 BCABHN CO[C@@H]1CCOC2(CCN(CCO)CC2)C1 ZINC000409424636 385333192 /nfs/dbraw/zinc/33/31/92/385333192.db2.gz CMLCDTOODRGAER-LLVKDONJSA-N 0 3 229.320 0.639 40 0 BCABHN CO[C@H]1CCOC2(CCN(CCO)CC2)C1 ZINC000409424638 385333660 /nfs/dbraw/zinc/33/36/60/385333660.db2.gz CMLCDTOODRGAER-NSHDSACASA-N 0 3 229.320 0.639 40 0 BCABHN CC(C)CCNC(=O)CN1CCNCC1 ZINC000019976687 385370940 /nfs/dbraw/zinc/37/09/40/385370940.db2.gz XEQCTYCUAFEBRH-UHFFFAOYSA-N 0 3 213.325 0.054 40 0 BCABHN CN(C)C[C@@]1(O)CCN(C(=O)C(C)(C)C)C1 ZINC000257304123 385760753 /nfs/dbraw/zinc/76/07/53/385760753.db2.gz SKDYEMYLAKNOLO-LBPRGKRZSA-N 0 3 228.336 0.558 40 0 BCABHN Cc1nc(C)n(C[C@H]2CNCc3nccn3C2)n1 ZINC000306143956 385991924 /nfs/dbraw/zinc/99/19/24/385991924.db2.gz YRVPFFHFXDGFHD-NSHDSACASA-N 0 3 246.318 0.511 40 0 BCABHN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CN ZINC000059080597 385965284 /nfs/dbraw/zinc/96/52/84/385965284.db2.gz LUYWADSVTQBBGF-QMMMGPOBSA-N 0 3 228.292 0.278 40 0 BCABHN NC[C@H]1CC(C(=O)Nc2ccccc2)=NO1 ZINC000222551697 386052700 /nfs/dbraw/zinc/05/27/00/386052700.db2.gz VOYPIWZAGOZGIH-SECBINFHSA-N 0 3 219.244 0.729 40 0 BCABHN O=C(OCc1ccccc1)[C@H]1CNCCN1 ZINC000098181739 386227969 /nfs/dbraw/zinc/22/79/69/386227969.db2.gz LYJQBOWGZFNRSI-LLVKDONJSA-N 0 3 220.272 0.291 40 0 BCABHN CCOC[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000160064927 387041741 /nfs/dbraw/zinc/04/17/41/387041741.db2.gz UGIKTFJGQCNQEI-NXEZZACHSA-N 0 3 214.309 0.609 40 0 BCABHN CCCn1cc(CNCCN(C)C)cn1 ZINC000227280769 387856592 /nfs/dbraw/zinc/85/65/92/387856592.db2.gz QJJRPIAHYDVGRF-UHFFFAOYSA-N 0 3 210.325 0.944 40 0 BCABHN NC[C@H]1C(=O)NCC[C@H]1c1ccccc1 ZINC000217680405 388379446 /nfs/dbraw/zinc/37/94/46/388379446.db2.gz IUUJVHVYPKLSTN-WDEREUQCSA-N 0 3 204.273 0.865 40 0 BCABHN CN1CCN[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000218698034 388391174 /nfs/dbraw/zinc/39/11/74/388391174.db2.gz FLDYGUQYUAEDOJ-ZIAGYGMSSA-N 0 3 231.343 0.774 40 0 BCABHN CCOC[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261538303 135175457 /nfs/dbraw/zinc/17/54/57/135175457.db2.gz XRDUYFRXQDASSA-BDAKNGLRSA-N 0 3 200.282 0.219 40 0 BCABHN COC(=O)c1cccnc1N1CCNCC1 ZINC000026898929 388567697 /nfs/dbraw/zinc/56/76/97/388567697.db2.gz ZFACJYCETZHQFY-UHFFFAOYSA-N 0 3 221.260 0.278 40 0 BCABHN CCS(=O)(=O)C1C(=O)N2CCCC[C@H]12 ZINC000217736327 388572252 /nfs/dbraw/zinc/57/22/52/388572252.db2.gz HIXQQNIYGGRPMQ-SFYZADRCSA-N 0 3 217.290 0.184 40 0 BCABHN NC[C@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC000306144238 388629377 /nfs/dbraw/zinc/62/93/77/388629377.db2.gz ZAGFSHXIRFVVHQ-GFCCVEGCSA-N 0 3 244.298 0.899 40 0 BCABHN CSc1ncc(CNCCOCCO)cn1 ZINC000062717244 388655741 /nfs/dbraw/zinc/65/57/41/388655741.db2.gz RFVSEHQGJKKJFB-UHFFFAOYSA-N 0 3 243.332 0.297 40 0 BCABHN CCCNc1ncc(CNCCN(C)C)cn1 ZINC000062718460 388655916 /nfs/dbraw/zinc/65/59/16/388655916.db2.gz XZXYUAHWYXAODD-UHFFFAOYSA-N 0 3 237.351 0.950 40 0 BCABHN CCNc1ncc(CNCCCO)cn1 ZINC000062717578 388655933 /nfs/dbraw/zinc/65/59/33/388655933.db2.gz HGWHQKXEGYYQRU-UHFFFAOYSA-N 0 3 210.281 0.380 40 0 BCABHN CCN(CC)C(=O)[C@@H]1CCCN(C[C@@H]2CO2)C1 ZINC000095097810 388759471 /nfs/dbraw/zinc/75/94/71/388759471.db2.gz YGUBCZRDZZKDSF-VXGBXAGGSA-N 0 3 240.347 0.966 40 0 BCABHN COc1nc(N2CCNCC2)nc2c1CCCC2 ZINC000001587056 132314277 /nfs/dbraw/zinc/31/42/77/132314277.db2.gz RBYMGRGZVIJBTH-UHFFFAOYSA-N 0 3 248.330 0.774 40 0 BCABHN C[C@H](N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000011805434 132320750 /nfs/dbraw/zinc/32/07/50/132320750.db2.gz QKIBIWMOMLGLDE-NSHDSACASA-N 0 3 233.315 0.682 40 0 BCABHN O=C([O-])CN1CCN(c2cc[nH+]cc2)CC1 ZINC000035680440 132339067 /nfs/dbraw/zinc/33/90/67/132339067.db2.gz SKQQZDXQBQHYEJ-UHFFFAOYSA-N 0 3 221.260 0.288 40 0 BCABHN CNC(=O)C1CCN(c2ncccc2CN)CC1 ZINC000036797042 132342807 /nfs/dbraw/zinc/34/28/07/132342807.db2.gz NFAOYQHQNVOCNV-UHFFFAOYSA-N 0 3 248.330 0.503 40 0 BCABHN C[C@@H](N)C(=O)N1CCN(C2CCC2)CC1 ZINC000261584348 135225142 /nfs/dbraw/zinc/22/51/42/135225142.db2.gz PRSINHMGGDOQEU-SECBINFHSA-N 0 3 211.309 0.030 40 0 BCABHN O=S(=O)([N-][C@H]1CC[NH2+]C1)c1cccs1 ZINC000052093655 398069009 /nfs/dbraw/zinc/06/90/09/398069009.db2.gz OOIZRMZBPLIYBM-ZETCQYMHSA-N 0 3 232.330 0.388 40 0 BCABHN CCN1C[C@H]2C[C@@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000248003223 170040704 /nfs/dbraw/zinc/04/07/04/170040704.db2.gz ODHYWYIQAHRMKI-OPRDCNLKSA-N 0 3 212.293 0.184 40 0 BCABHN CCNc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329067595 170041796 /nfs/dbraw/zinc/04/17/96/170041796.db2.gz YJAQCQVNLKIYQL-UHFFFAOYSA-N 0 3 249.362 0.603 40 0 BCABHN CCOC(=O)C1C(=O)NC[C@H]2CCC[C@@H]21 ZINC000004119214 170278666 /nfs/dbraw/zinc/27/86/66/170278666.db2.gz IOMQKGKNFVKWCE-HRDYMLBCSA-N 0 3 211.261 0.712 40 0 BCABHN CCOC(=O)c1c(C)[n-]nc1[C@@H]1CC[NH2+]C1 ZINC000038580624 170290221 /nfs/dbraw/zinc/29/02/21/170290221.db2.gz UZOJYTDKZIVWMZ-MRVPVSSYSA-N 0 3 223.276 0.972 40 0 BCABHN CC[C@H](C)NC(=O)[C@H](N)CCSC ZINC000062725435 171335682 /nfs/dbraw/zinc/33/56/82/171335682.db2.gz KWXGXWXKTAJIFI-JGVFFNPUSA-N 0 3 204.339 0.982 40 0 BCABHN CC[C@H](C)[C@@H](N)C(=O)N1CCOCC1 ZINC000019506207 171369682 /nfs/dbraw/zinc/36/96/82/171369682.db2.gz LDQFIFFNZXKTIU-DTWKUNHWSA-N 0 3 200.282 0.219 40 0 BCABHN CN(C)C(=O)c1cccc([C@@H]2CNCCN2C)c1 ZINC000072366071 172392600 /nfs/dbraw/zinc/39/26/00/172392600.db2.gz MOSHJZGJZGRTSH-ZDUSSCGKSA-N 0 3 247.342 0.965 40 0 BCABHN CN1CCC[C@H](c2cccc(C(N)=O)n2)C1 ZINC000072381201 173048873 /nfs/dbraw/zinc/04/88/73/173048873.db2.gz QEDSRKMWEFSOSX-VIFPVBQESA-N 0 3 219.288 0.990 40 0 BCABHN CN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000019482421 173067339 /nfs/dbraw/zinc/06/73/39/173067339.db2.gz FQLUBMKVEPJNAQ-CYBMUJFWSA-N 0 3 247.342 0.851 40 0 BCABHN CNC(=O)CCc1cc(C)nc([C@H]2CCCN2)n1 ZINC000072363375 173263791 /nfs/dbraw/zinc/26/37/91/173263791.db2.gz DGGQHMPHNMVLCO-LLVKDONJSA-N 0 3 248.330 0.888 40 0 BCABHN CNCC(=O)N1CCC[C@H]1c1cnccn1 ZINC000072383411 173326265 /nfs/dbraw/zinc/32/62/65/173326265.db2.gz KZPKSNKXUAIUPL-JTQLQIEISA-N 0 3 220.276 0.360 40 0 BCABHN COCCN(CCOC)C(=O)[C@@H]1CCCCN1 ZINC000036200063 174295735 /nfs/dbraw/zinc/29/57/35/174295735.db2.gz UFJBAAYXGAUMHN-NSHDSACASA-N 0 3 244.335 0.250 40 0 BCABHN COc1cccc([C@@H](N)c2nnc[nH]2)c1 ZINC000083746119 175288995 /nfs/dbraw/zinc/28/89/95/175288995.db2.gz RIGZIKUJNKWEKU-SECBINFHSA-N 0 3 204.233 0.861 40 0 BCABHN C[C@@H]1CCC[C@@H](C)N1C(=O)CNCCN(C)C ZINC000022586132 176114669 /nfs/dbraw/zinc/11/46/69/176114669.db2.gz XOGTXDKRSNGZNS-VXGBXAGGSA-N 0 3 241.379 0.927 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccncc1 ZINC000072397646 176323817 /nfs/dbraw/zinc/32/38/17/176323817.db2.gz ZVBFTPDSRCSROH-MRVWCRGKSA-N 0 3 247.342 0.721 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccco1 ZINC000072397626 176323915 /nfs/dbraw/zinc/32/39/15/176323915.db2.gz COXAUDVZDZOWSA-IJLUTSLNSA-N 0 3 236.315 0.919 40 0 BCABHN c1ccc2c(c1)nnnc2N1CCNCC1 ZINC000072207414 259315306 /nfs/dbraw/zinc/31/53/06/259315306.db2.gz WHOYHXXBJYEZOE-UHFFFAOYSA-N 0 3 215.260 0.434 40 0 BCABHN CC(C)OCCCNC(=O)CNC1CC1 ZINC000040420345 259316673 /nfs/dbraw/zinc/31/66/73/259316673.db2.gz DVRYULTUDDHLLF-UHFFFAOYSA-N 0 3 214.309 0.670 40 0 BCABHN Cc1cc(N2CCNCC2)ncc1C=O ZINC000072223565 259321531 /nfs/dbraw/zinc/32/15/31/259321531.db2.gz UDZWIPWUKIRTMQ-UHFFFAOYSA-N 0 3 205.261 0.612 40 0 BCABHN Cc1nc(N2CCNCC2)ccc1CCO ZINC000072224635 259321630 /nfs/dbraw/zinc/32/16/30/259321630.db2.gz HPPFYYBXRNAKLB-UHFFFAOYSA-N 0 3 221.304 0.334 40 0 BCABHN COc1cccc2c1N(C)C[C@@H](N)[C@@H]2O ZINC000084772727 398327330 /nfs/dbraw/zinc/32/73/30/398327330.db2.gz WUOISILEUNPSRB-LDYMZIIASA-N 0 3 208.261 0.506 40 0 BCABHN COc1ccccc1CNC(=O)[C@H](C)N ZINC000011957440 187250394 /nfs/dbraw/zinc/25/03/94/187250394.db2.gz PJYXOQINYZFRPR-QMMMGPOBSA-N 0 3 208.261 0.659 40 0 BCABHN CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1F ZINC000039093251 343382123 /nfs/dbraw/zinc/38/21/23/343382123.db2.gz BZSDDSIFAGBZLT-RNFRBKRXSA-N 0 3 204.245 0.821 40 0 BCABHN CCCN(CCC)C(=O)CN1CC(N)C1 ZINC000083635812 343491711 /nfs/dbraw/zinc/49/17/11/343491711.db2.gz CJKXCQAXNNMSJN-UHFFFAOYSA-N 0 3 213.325 0.278 40 0 BCABHN CC(=O)N1CCC[C@@H](N(CCO)C2CC2)C1 ZINC000079405493 187262842 /nfs/dbraw/zinc/26/28/42/187262842.db2.gz GCWMBZJLJNZELH-GFCCVEGCSA-N 0 3 226.320 0.454 40 0 BCABHN CC(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079417596 187263551 /nfs/dbraw/zinc/26/35/51/187263551.db2.gz OVAZKZOJRVKSQT-JMJZKYOTSA-N 0 3 241.335 0.239 40 0 BCABHN CC(C)N(C[C@H]1CCCCN1C)C(=O)CN ZINC000079406969 187263605 /nfs/dbraw/zinc/26/36/05/187263605.db2.gz FTAVDGTUWKRVMD-LLVKDONJSA-N 0 3 227.352 0.666 40 0 BCABHN COC(CNCCC(=O)OC(C)(C)C)OC ZINC000047218970 343559115 /nfs/dbraw/zinc/55/91/15/343559115.db2.gz CQCUEYQRQNDGLF-UHFFFAOYSA-N 0 3 233.308 0.927 40 0 BCABHN CC[C@@H]([C@H](N)C1CC1)S(=O)(=O)CC ZINC000096524998 343759560 /nfs/dbraw/zinc/75/95/60/343759560.db2.gz OYRZWLVQLNQWKZ-DTWKUNHWSA-N 0 3 205.323 0.937 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCC[C@@H](CO)C1 ZINC000036227414 343779402 /nfs/dbraw/zinc/77/94/02/343779402.db2.gz MTHBCEPULQLQCR-GHMZBOCLSA-N 0 3 226.320 0.359 40 0 BCABHN CC1(C)CN(C(=O)[C@@H]2CCCCN2)C[C@H]1CO ZINC000409428119 343802580 /nfs/dbraw/zinc/80/25/80/343802580.db2.gz FYDIJWNFHBLMOX-QWRGUYRKSA-N 0 3 240.347 0.605 40 0 BCABHN COCCN(CCOC)c1cc(N)nc(C)n1 ZINC000130243522 343788295 /nfs/dbraw/zinc/78/82/95/343788295.db2.gz HQFTZBWAMWUPLR-UHFFFAOYSA-N 0 3 240.307 0.466 40 0 BCABHN O=C([C@@H]1C[C@@H](F)CN1)N1CCSCC1 ZINC000307075362 343797557 /nfs/dbraw/zinc/79/75/57/343797557.db2.gz KLSNDIIVERIZLG-SFYZADRCSA-N 0 3 218.297 0.262 40 0 BCABHN CNCC(=O)N1CC[C@]2(C1)C[C@@H](OC)CCO2 ZINC000409428348 343803098 /nfs/dbraw/zinc/80/30/98/343803098.db2.gz GINMSZNORGQJGI-CMPLNLGQSA-N 0 3 242.319 0.002 40 0 BCABHN c1ccn(-c2ccc(N3CCNCC3)nn2)c1 ZINC000409427196 343799938 /nfs/dbraw/zinc/79/99/38/343799938.db2.gz HZOSZFKNALUSPB-UHFFFAOYSA-N 0 3 229.287 0.677 40 0 BCABHN COC[C@@H]1CCCN1C(=O)[C@H]1CCCCN1 ZINC000409427109 343800040 /nfs/dbraw/zinc/80/00/40/343800040.db2.gz JOBKXXDPHKYNNK-WDEREUQCSA-N 0 3 226.320 0.766 40 0 BCABHN NCC(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000409427054 343800176 /nfs/dbraw/zinc/80/01/76/343800176.db2.gz JIJCNAWNQMLWOB-LLVKDONJSA-N 0 3 212.293 0.507 40 0 BCABHN CCN(C(=O)[C@@H](C)N)[C@H]1CCSC1 ZINC000409427336 343800546 /nfs/dbraw/zinc/80/05/46/343800546.db2.gz DUHWOOHXMPBBFD-SFYZADRCSA-N 0 3 202.323 0.688 40 0 BCABHN COC[C@H]1CN(C(=O)[C@H](C)N)CC1(C)C ZINC000409427323 343800713 /nfs/dbraw/zinc/80/07/13/343800713.db2.gz DSXPFAGRLAWYLK-DTWKUNHWSA-N 0 3 214.309 0.465 40 0 BCABHN Cc1cc(C)n(CCC(=O)N2CC(N)C2)n1 ZINC000409422875 343814257 /nfs/dbraw/zinc/81/42/57/343814257.db2.gz JQILCPIYKJRUII-UHFFFAOYSA-N 0 3 222.292 0.060 40 0 BCABHN CCCCN1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422895 343814441 /nfs/dbraw/zinc/81/44/41/343814441.db2.gz LZWGYLDPMNNKHF-NXEZZACHSA-N 0 3 215.293 0.642 40 0 BCABHN CCOc1ccc(C(=O)N2CC(N)C2)cn1 ZINC000409423350 343815265 /nfs/dbraw/zinc/81/52/65/343815265.db2.gz NRFUVSPNZOEQFP-UHFFFAOYSA-N 0 3 221.260 0.263 40 0 BCABHN CCn1nc(C(C)C)n(C2CNC2)c1=O ZINC000409423384 343815357 /nfs/dbraw/zinc/81/53/57/343815357.db2.gz BMAQBSVACZZQOV-UHFFFAOYSA-N 0 3 210.281 0.332 40 0 BCABHN C[C@@H](O)[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000409423749 343815835 /nfs/dbraw/zinc/81/58/35/343815835.db2.gz AITSCCLOMFYXOU-YIZRAAEISA-N 0 3 200.282 0.096 40 0 BCABHN CN1CCCC[C@H]1Cn1cc(CO)nn1 ZINC000409423782 343816220 /nfs/dbraw/zinc/81/62/20/343816220.db2.gz DAZALXPGJSEKPJ-JTQLQIEISA-N 0 3 210.281 0.255 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1C ZINC000409423793 343816256 /nfs/dbraw/zinc/81/62/56/343816256.db2.gz ALPBTZBSCQIHOV-GRYCIOLGSA-N 0 3 240.347 0.869 40 0 BCABHN CCn1nc(C2CC2)n(C2CNC2)c1=O ZINC000409423775 343816352 /nfs/dbraw/zinc/81/63/52/343816352.db2.gz CZILBHKDZUMJLY-UHFFFAOYSA-N 0 3 208.265 0.086 40 0 BCABHN CC(F)(F)[C@H]1CCCN(C(=O)CN)C1 ZINC000409425064 343818320 /nfs/dbraw/zinc/81/83/20/343818320.db2.gz DXTPLOSOQDTKRU-ZETCQYMHSA-N 0 3 206.236 0.839 40 0 BCABHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1CO ZINC000409425166 343818722 /nfs/dbraw/zinc/81/87/22/343818722.db2.gz FIBAMPMNIFUWJG-OUAUKWLOSA-N 0 3 226.320 0.215 40 0 BCABHN N=C(CN1C[C@@H]2CCC[C@@]2(CO)C1)NO ZINC000409425302 343818775 /nfs/dbraw/zinc/81/87/75/343818775.db2.gz AGLSUZHNZSYANS-WPRPVWTQSA-N 0 3 213.281 0.037 40 0 BCABHN CNCC(=O)N1CCOC[C@@H]2CCC[C@H]21 ZINC000409425591 343819707 /nfs/dbraw/zinc/81/97/07/343819707.db2.gz ALZOFVLAPARHRK-VHSXEESVSA-N 0 3 212.293 0.233 40 0 BCABHN COCCC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000409425689 343820468 /nfs/dbraw/zinc/82/04/68/343820468.db2.gz GMQQJWCZEPPDHF-SECBINFHSA-N 0 3 214.309 0.609 40 0 BCABHN CCOC[C@@H]1CCCN1C(=O)[C@@H](C)N ZINC000409433119 343826592 /nfs/dbraw/zinc/82/65/92/343826592.db2.gz XLBOSNDOIKATFI-BDAKNGLRSA-N 0 3 200.282 0.361 40 0 BCABHN NCC(=O)N1CCC2(CCCCO2)CC1 ZINC000409432530 343826887 /nfs/dbraw/zinc/82/68/87/343826887.db2.gz VZVFLUZKDDGTEO-UHFFFAOYSA-N 0 3 212.293 0.507 40 0 BCABHN NCC(=O)N1CCOC[C@H]2CCCC[C@H]21 ZINC000409428492 343803761 /nfs/dbraw/zinc/80/37/61/343803761.db2.gz GMCQORRFBFHCBE-NXEZZACHSA-N 0 3 212.293 0.363 40 0 BCABHN COC[C@H]1CN(CC(=N)NO)C[C@H]1C ZINC000409429184 343804594 /nfs/dbraw/zinc/80/45/94/343804594.db2.gz OBZHUIZZQIPULA-HTQZYQBOSA-N 0 3 201.270 0.157 40 0 BCABHN C[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCSC1 ZINC000409432736 343827417 /nfs/dbraw/zinc/82/74/17/343827417.db2.gz LTFDIUJULUMFID-VXNVDRBHSA-N 0 3 214.334 0.830 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@@H]2CCC[C@H]21 ZINC000409430673 343808667 /nfs/dbraw/zinc/80/86/67/343808667.db2.gz WMRPHXHGNYTAJZ-LPEHRKFASA-N 0 3 212.293 0.361 40 0 BCABHN O=C1CC2(CNC2)Oc2ccc(O)cc21 ZINC000409430875 343809154 /nfs/dbraw/zinc/80/91/54/343809154.db2.gz IAIKIBLOSLMRLP-UHFFFAOYSA-N 0 3 205.213 0.699 40 0 BCABHN C[C@H](O)[C@H]1CCCN(CC(=N)NO)C1 ZINC000409431066 343809948 /nfs/dbraw/zinc/80/99/48/343809948.db2.gz RPFQNNLYRYPHBG-YUMQZZPRSA-N 0 3 201.270 0.035 40 0 BCABHN CC1(CO)CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000403049746 343811689 /nfs/dbraw/zinc/81/16/89/343811689.db2.gz YAOUVWDUVWSFEL-NSHDSACASA-N 0 3 240.347 0.750 40 0 BCABHN Cn1ccc([C@@H]2CCCN(CCO)C2)n1 ZINC000409440073 343853881 /nfs/dbraw/zinc/85/38/81/343853881.db2.gz VPLVBHAOBKKPPA-SNVBAGLBSA-N 0 3 209.293 0.592 40 0 BCABHN Oc1ccc2c(c1)OC1(CNC1)C[C@H]2O ZINC000409433549 343829080 /nfs/dbraw/zinc/82/90/80/343829080.db2.gz SKRSFPLEYBLZMB-SECBINFHSA-N 0 3 207.229 0.550 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000409434095 343831055 /nfs/dbraw/zinc/83/10/55/343831055.db2.gz ZXVGYHOYOFINPG-JQWIXIFHSA-N 0 3 226.320 0.895 40 0 BCABHN C[C@@H](N)C(=O)N1CCC(C)(CF)CC1 ZINC000409435348 343833121 /nfs/dbraw/zinc/83/31/21/343833121.db2.gz UFYOUYPKGLNVOB-MRVPVSSYSA-N 0 3 202.273 0.932 40 0 BCABHN CO[C@@]1(C(F)(F)F)CCN(CC(=N)NO)C1 ZINC000409435336 343833168 /nfs/dbraw/zinc/83/31/68/343833168.db2.gz UFEMDGVHMVDGNJ-ZETCQYMHSA-N 0 3 241.213 0.596 40 0 BCABHN CNCC(=O)N1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409434770 343834999 /nfs/dbraw/zinc/83/49/99/343834999.db2.gz QNDDSRALKVXTMF-GHMZBOCLSA-N 0 3 226.320 0.215 40 0 BCABHN CCOC1(C(F)(F)F)CN(C(=O)CNC)C1 ZINC000409436004 343836876 /nfs/dbraw/zinc/83/68/76/343836876.db2.gz XQRLFVPNOIANJR-UHFFFAOYSA-N 0 3 240.225 0.386 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCN(C(=O)[C@H](C)N)C2)C1 ZINC000409436220 343838198 /nfs/dbraw/zinc/83/81/98/343838198.db2.gz YSXYCFGDHWPYDS-HOSYDEDBSA-N 0 3 242.319 0.130 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@@H](C)N)CC1(C)C ZINC000409436341 343838487 /nfs/dbraw/zinc/83/84/87/343838487.db2.gz ZKGGZKZHZVGPKL-ZJUUUORDSA-N 0 3 228.336 0.855 40 0 BCABHN CCOC[C@H]1CN(C(=O)[C@H](C)N)CC1(C)C ZINC000409436340 343838642 /nfs/dbraw/zinc/83/86/42/343838642.db2.gz ZKGGZKZHZVGPKL-VHSXEESVSA-N 0 3 228.336 0.855 40 0 BCABHN CNc1nccnc1[C@@H]1CCCN(C(=O)CN)C1 ZINC000072383390 187276478 /nfs/dbraw/zinc/27/64/78/187276478.db2.gz JXXINIAHERUXGZ-SECBINFHSA-N 0 3 249.318 0.183 40 0 BCABHN Cc1cc(-c2cc(CN)nc(C)n2)n(C)n1 ZINC000409439197 343846601 /nfs/dbraw/zinc/84/66/01/343846601.db2.gz QFKWLJRXGMHBEK-UHFFFAOYSA-N 0 3 217.276 0.953 40 0 BCABHN NCc1cn(CC2CCCC2)c(=O)[nH]c1=O ZINC000409439423 343847404 /nfs/dbraw/zinc/84/74/04/343847404.db2.gz HGPGGLYWMHMGPY-UHFFFAOYSA-N 0 3 223.276 0.598 40 0 BCABHN COc1cccc([C@@H]2C[C@@H](N)C(=O)N2C)c1 ZINC000409441587 343860010 /nfs/dbraw/zinc/86/00/10/343860010.db2.gz PVNAVGURKYOJKH-MNOVXSKESA-N 0 3 220.272 0.926 40 0 BCABHN CN(C)c1ccc([C@@H](CN)N2CCOCC2)o1 ZINC000409441679 343860660 /nfs/dbraw/zinc/86/06/60/343860660.db2.gz QMARJPLJPFDMQP-SNVBAGLBSA-N 0 3 239.319 0.678 40 0 BCABHN CCOC(=O)CCn1cc(CNC)cn1 ZINC000585143122 344178965 /nfs/dbraw/zinc/17/89/65/344178965.db2.gz VRTWEPORBCZNCZ-UHFFFAOYSA-N 0 3 211.265 0.556 40 0 BCABHN c1cncc(OC[C@@H]2CCOC23CNC3)c1 ZINC000585102823 344133650 /nfs/dbraw/zinc/13/36/50/344133650.db2.gz IZTWYEOLLVYVIJ-JTQLQIEISA-N 0 3 220.272 0.839 40 0 BCABHN Cc1cnnn1C[C@@H]1CC[C@H]2NCCO[C@@H]21 ZINC000096250350 187288543 /nfs/dbraw/zinc/28/85/43/187288543.db2.gz ZRADXOJMYDWCPT-HBNTYKKESA-N 0 3 222.292 0.354 40 0 BCABHN CC(C)CN1C[C@H]2C[C@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000096252836 344371250 /nfs/dbraw/zinc/37/12/50/344371250.db2.gz WBAHRVTYZJHPQQ-GRYCIOLGSA-N 0 3 240.347 0.820 40 0 BCABHN CN(C)c1ccc(C(=O)N2CC(N)C2)cc1 ZINC000082590424 345910083 /nfs/dbraw/zinc/91/00/83/345910083.db2.gz PZDSFWOOZZGLJE-UHFFFAOYSA-N 0 3 219.288 0.536 40 0 BCABHN CNc1cc(N2CCC[C@@H](O)C2)nc(C)n1 ZINC000087811609 345941846 /nfs/dbraw/zinc/94/18/46/345941846.db2.gz SXQGAYULSLVCME-SECBINFHSA-N 0 3 222.292 0.788 40 0 BCABHN COc1cc(-n2cc(CN)nn2)ccc1F ZINC000162942021 346543803 /nfs/dbraw/zinc/54/38/03/346543803.db2.gz STQNTYHVEBIHJY-UHFFFAOYSA-N 0 3 222.223 0.874 40 0 BCABHN CCNc1ncc(CNCCCCO)cn1 ZINC000062717581 259407324 /nfs/dbraw/zinc/40/73/24/259407324.db2.gz MYFYDTXYGRXHGV-UHFFFAOYSA-N 0 3 224.308 0.771 40 0 BCABHN Cc1nccc([C@H]2CCCN(CCO)C2)n1 ZINC000072379979 180208687 /nfs/dbraw/zinc/20/86/87/180208687.db2.gz VUAUGCINXZOIHI-NSHDSACASA-N 0 3 221.304 0.957 40 0 BCABHN N#Cc1ccc(Cn2cc(CN)nn2)cc1 ZINC000072155598 350231924 /nfs/dbraw/zinc/23/19/24/350231924.db2.gz XPPZMEHJKGAOSB-UHFFFAOYSA-N 0 3 213.244 0.657 40 0 BCABHN Cc1nn(C)cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000002767815 180367719 /nfs/dbraw/zinc/36/77/19/180367719.db2.gz GTANTPGZBJMKMF-NSHDSACASA-N 0 3 248.330 0.649 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC(F)(F)C1 ZINC000409422363 350474491 /nfs/dbraw/zinc/47/44/91/350474491.db2.gz CWKFDGFFWGDLBE-SSDOTTSWSA-N 0 3 204.220 0.606 40 0 BCABHN CCN1CCC(Cn2cc(C=O)nn2)CC1 ZINC000409424721 350475897 /nfs/dbraw/zinc/47/58/97/350475897.db2.gz HVKFCQYMLGPXQS-UHFFFAOYSA-N 0 3 222.292 0.823 40 0 BCABHN OCCNCc1ccc2c(c1)OCCCO2 ZINC000037675016 187597395 /nfs/dbraw/zinc/59/73/95/187597395.db2.gz KODBSSSYPKYWMO-UHFFFAOYSA-N 0 3 223.272 0.930 40 0 BCABHN Cn1nc(COc2cncnc2)c2c1CCNC2 ZINC000096259842 180806062 /nfs/dbraw/zinc/80/60/62/180806062.db2.gz SZQGEHDINFYDGI-UHFFFAOYSA-N 0 3 245.286 0.435 40 0 BCABHN CC(=O)N[C@H]1CCCC[C@H]1N(C)CCO ZINC000079405320 188291972 /nfs/dbraw/zinc/29/19/72/188291972.db2.gz PAQWQXHHQFYBJS-WDEREUQCSA-N 0 3 214.309 0.358 40 0 BCABHN CC(=O)N1CCCC[C@@H]1CN(C)CCO ZINC000079405291 188292151 /nfs/dbraw/zinc/29/21/51/188292151.db2.gz PFBNRYWDLXKFJB-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN Cc1nn(C)cc1CN1CCC[C@H](CO)C1 ZINC000072397786 188307415 /nfs/dbraw/zinc/30/74/15/188307415.db2.gz GIHDFKDBCMZBHK-NSHDSACASA-N 0 3 223.320 0.933 40 0 BCABHN CC(C)[C@@H](N)c1nc(Cn2cncn2)n[nH]1 ZINC000095534737 188319887 /nfs/dbraw/zinc/31/98/87/188319887.db2.gz HFGLBVVQBIXXGJ-MRVPVSSYSA-N 0 3 221.268 0.100 40 0 BCABHN CC(C)C[C@@H](N)C(=O)NC[C@H]1CCCO1 ZINC000019488951 356642998 /nfs/dbraw/zinc/64/29/98/356642998.db2.gz AJYJSQHSJGEWAP-NXEZZACHSA-N 0 3 214.309 0.655 40 0 BCABHN CCOC(=O)N1CC[C@@](C)(O)[C@H](N(C)C)C1 ZINC000685936033 538757370 /nfs/dbraw/zinc/75/73/70/538757370.db2.gz AUNAKCLQFUKSED-MWLCHTKSSA-N 0 3 230.308 0.530 40 0 BCABHN NCC(=O)N1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000211235036 358596581 /nfs/dbraw/zinc/59/65/81/358596581.db2.gz IWOBTGPRUWWDMP-NEPJUHHUSA-N 0 3 234.299 0.180 40 0 BCABHN NCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000034936248 181350472 /nfs/dbraw/zinc/35/04/72/181350472.db2.gz BQFUOARICDRDTJ-NSHDSACASA-N 0 3 220.272 0.545 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000220340603 367900306 /nfs/dbraw/zinc/90/03/06/367900306.db2.gz LOSBUJMYGZOACF-RITPCOANSA-N 0 3 210.199 0.744 40 0 BCABHN COC(=O)C1CC2CC(C(=O)OC)CC(C1)N2 ZINC000095644158 368338058 /nfs/dbraw/zinc/33/80/58/368338058.db2.gz DUCGMISZUGVBFH-UHFFFAOYSA-N 0 3 241.287 0.479 40 0 BCABHN Cc1noc(C2(C)CCN(C(=O)CN)CC2)n1 ZINC000205673854 368356518 /nfs/dbraw/zinc/35/65/18/368356518.db2.gz NICZVVJIFMYKLD-UHFFFAOYSA-N 0 3 238.291 0.217 40 0 BCABHN CNC(=O)[C@H]1CCCN1[C@H](CN)C(F)(F)F ZINC000108287168 369385505 /nfs/dbraw/zinc/38/55/05/369385505.db2.gz WJAGDIMZVAYYHJ-RNFRBKRXSA-N 0 3 239.241 0.086 40 0 BCABHN COC[C@H]1C[C@@H](C)[C@@](CN)(S(C)(=O)=O)C1 ZINC000110770694 369977179 /nfs/dbraw/zinc/97/71/79/369977179.db2.gz CAVMLOLVHFUYAP-KXUCPTDWSA-N 0 3 235.349 0.421 40 0 BCABHN CN(C)C[C@@H](O)CSc1cnn(C)c1 ZINC000256050078 370634879 /nfs/dbraw/zinc/63/48/79/370634879.db2.gz COGAXLWEODOTJQ-MRVPVSSYSA-N 0 3 215.322 0.435 40 0 BCABHN O=C(NC1CCC1)[C@@H]1CCC2(CNC2)O1 ZINC000096078054 182104864 /nfs/dbraw/zinc/10/48/64/182104864.db2.gz VDXQDECMPTWUHC-VIFPVBQESA-N 0 3 210.277 0.176 40 0 BCABHN O=C(NCC(F)(F)F)[C@@]1(F)CCNC1 ZINC000306224422 182123890 /nfs/dbraw/zinc/12/38/90/182123890.db2.gz DJLOICJALOBOBC-ZCFIWIBFSA-N 0 3 214.162 0.367 40 0 BCABHN O=C(NCC1CC1)[C@@H]1CNCc2ccnn2C1 ZINC000306125727 182139729 /nfs/dbraw/zinc/13/97/29/182139729.db2.gz DAAGVTXZXNDEPT-SNVBAGLBSA-N 0 3 234.303 0.129 40 0 BCABHN O=C(NCc1ccccc1)[C@H]1C[C@@H]2CNC[C@H]1O2 ZINC000096253443 182256817 /nfs/dbraw/zinc/25/68/17/182256817.db2.gz JRBUQTIUAFHYDJ-FRRDWIJNSA-N 0 3 246.310 0.680 40 0 BCABHN OCCN1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257305099 183074620 /nfs/dbraw/zinc/07/46/20/183074620.db2.gz SOLBBEDPWGGLEW-JTQLQIEISA-N 0 3 209.293 0.657 40 0 BCABHN OCCNCc1cnn(CC(F)(F)F)c1 ZINC000256052358 183078774 /nfs/dbraw/zinc/07/87/74/183078774.db2.gz MZZFMYPUDAHPQQ-UHFFFAOYSA-N 0 3 223.198 0.527 40 0 BCABHN OC[C@@H]1O[C@H](n2ccc3cnccc32)C[C@@H]1O ZINC000005594603 183132973 /nfs/dbraw/zinc/13/29/73/183132973.db2.gz YEWRIVWHPQXYGF-SRVKXCTJSA-N 0 3 234.255 0.677 40 0 BCABHN OC[C@@H]1O[C@H](n2ccc3cnccc32)C[C@H]1O ZINC000005594604 183133228 /nfs/dbraw/zinc/13/32/28/183133228.db2.gz YEWRIVWHPQXYGF-WOPDTQHZSA-N 0 3 234.255 0.677 40 0 BCABHN OCc1cn([C@H]2CCCN(C3CCC3)C2)nn1 ZINC000328775559 183169326 /nfs/dbraw/zinc/16/93/26/183169326.db2.gz KQVACKMILQEJMQ-LBPRGKRZSA-N 0 3 236.319 0.960 40 0 BCABHN N=C(CN1C[C@H](CO)[C@@H](C(F)(F)F)C1)NO ZINC000409435304 383836064 /nfs/dbraw/zinc/83/60/64/383836064.db2.gz UBXXCZIKVSIJHY-RITPCOANSA-N 0 3 241.213 0.045 40 0 BCABHN N=C(CN1C[C@H](CO)C2(CCCC2)C1)NO ZINC000409434903 383840787 /nfs/dbraw/zinc/84/07/87/383840787.db2.gz REUXBAJFZVTMLF-SECBINFHSA-N 0 3 227.308 0.427 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409433900 383829375 /nfs/dbraw/zinc/82/93/75/383829375.db2.gz NSNOXNVOGWTPFW-INTQDDNPSA-N 0 3 226.320 0.343 40 0 BCABHN Cc1cc(CCC(N)=O)nc([C@@H]2CCCN2)n1 ZINC000072363372 383908423 /nfs/dbraw/zinc/90/84/23/383908423.db2.gz USFUGHPPVYZAIE-JTQLQIEISA-N 0 3 234.303 0.627 40 0 BCABHN NCCS(=O)(=O)c1ccc(N)cc1 ZINC000001760600 383935849 /nfs/dbraw/zinc/93/58/49/383935849.db2.gz UXSCNZAJAXNSBW-UHFFFAOYSA-N 0 3 200.263 0.001 40 0 BCABHN COCCCNC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000034974498 384009693 /nfs/dbraw/zinc/00/96/93/384009693.db2.gz VJDNWIKFDFYLJU-ZJUUUORDSA-N 0 3 214.309 0.670 40 0 BCABHN CC(=O)N[C@@H]1CCCC[C@H]1N(C)CCO ZINC000079405317 384133485 /nfs/dbraw/zinc/13/34/85/384133485.db2.gz PAQWQXHHQFYBJS-GHMZBOCLSA-N 0 3 214.309 0.358 40 0 BCABHN CCN(CCO)C[C@@H]1CCCCN1C(C)=O ZINC000079405355 384133788 /nfs/dbraw/zinc/13/37/88/384133788.db2.gz ZAFLBPSYQREDNZ-LBPRGKRZSA-N 0 3 228.336 0.702 40 0 BCABHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCO)C1 ZINC000079407811 384135992 /nfs/dbraw/zinc/13/59/92/384135992.db2.gz TWHZPRPREHAIJU-JTQLQIEISA-N 0 3 244.335 0.825 40 0 BCABHN CN(Cc1nccnc1Cl)C(=O)CN ZINC000079435538 384146897 /nfs/dbraw/zinc/14/68/97/384146897.db2.gz NUJKUMUYVGWVKI-UHFFFAOYSA-N 0 3 214.656 0.047 40 0 BCABHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cnccn1 ZINC000079435820 384146950 /nfs/dbraw/zinc/14/69/50/384146950.db2.gz JVLHGCWGZKTSPS-WPRPVWTQSA-N 0 3 222.292 0.637 40 0 BCABHN CC(=O)N(CC1CCN(CCO)CC1)C(C)C ZINC000079416531 384139426 /nfs/dbraw/zinc/13/94/26/384139426.db2.gz ZZWXDOIRSVPJKT-UHFFFAOYSA-N 0 3 242.363 0.948 40 0 BCABHN CC(=O)N(C(C)C)[C@H]1CCCN(CCO)C1 ZINC000079416512 384139623 /nfs/dbraw/zinc/13/96/23/384139623.db2.gz FRNQCHQTKVILRU-LBPRGKRZSA-N 0 3 228.336 0.700 40 0 BCABHN CC(=O)N(C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079417585 384139843 /nfs/dbraw/zinc/13/98/43/384139843.db2.gz ZVWGBCUAPMOKOQ-PUSIOWJLSA-N 0 3 241.335 0.239 40 0 BCABHN CCN(CC1CCN(CCO)CC1)C(C)=O ZINC000079416458 384140418 /nfs/dbraw/zinc/14/04/18/384140418.db2.gz AHXDBHRXAXMVOV-UHFFFAOYSA-N 0 3 228.336 0.559 40 0 BCABHN NC(=O)c1cccc([C@@H]2CCCN(CCO)C2)n1 ZINC000072356858 384211199 /nfs/dbraw/zinc/21/11/99/384211199.db2.gz BPKGIIOBCUBKFP-SNVBAGLBSA-N 0 3 249.314 0.352 40 0 BCABHN CCN(CC)c1ncc2c(n1)CCNC2 ZINC000132196462 384219410 /nfs/dbraw/zinc/21/94/10/384219410.db2.gz SKBZOKZXVDPKPN-UHFFFAOYSA-N 0 3 206.293 0.969 40 0 BCABHN Cn1cc(CN2CC[C@@H](c3nncn3C)C2)cn1 ZINC000072382268 384220609 /nfs/dbraw/zinc/22/06/09/384220609.db2.gz STXXLJLAJOJGEI-LLVKDONJSA-N 0 3 246.318 0.538 40 0 BCABHN CN1CCC(C[N@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318625 384290634 /nfs/dbraw/zinc/29/06/34/384290634.db2.gz GNUDUBKEDBHTMH-UHFFFAOYSA-N 0 3 226.320 0.877 40 0 BCABHN CN1CCC(C[N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318625 384290637 /nfs/dbraw/zinc/29/06/37/384290637.db2.gz GNUDUBKEDBHTMH-UHFFFAOYSA-N 0 3 226.320 0.877 40 0 BCABHN CN(C)C[C@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1 ZINC000096251651 384445960 /nfs/dbraw/zinc/44/59/60/384445960.db2.gz ZDLONICZGQPYCL-UTUOFQBUSA-N 0 3 248.330 0.632 40 0 BCABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccoc2)N1 ZINC000096245674 384447460 /nfs/dbraw/zinc/44/74/60/384447460.db2.gz YLTBRRNUFCZPPW-ZJUUUORDSA-N 0 3 206.245 0.742 40 0 BCABHN CC(C)CCC(=O)N1CCOC2(CNC2)C1 ZINC000096078045 384431570 /nfs/dbraw/zinc/43/15/70/384431570.db2.gz PCMIHMPELFLSSI-UHFFFAOYSA-N 0 3 226.320 0.623 40 0 BCABHN O=C1Nc2ccccc2[C@@]12CCN(CCO)C2 ZINC000096080461 384435010 /nfs/dbraw/zinc/43/50/10/384435010.db2.gz UHPSWDWQRVUDJC-ZDUSSCGKSA-N 0 3 232.283 0.575 40 0 BCABHN CC(C)[C@H](N)C(=O)N1CCN(C)[C@H](C)C1 ZINC000079420046 384495965 /nfs/dbraw/zinc/49/59/65/384495965.db2.gz KEYAYXXXNNZSDU-ZJUUUORDSA-N 0 3 213.325 0.132 40 0 BCABHN C[C@H]1CNCCN1c1nccnc1Cl ZINC000139292521 384610025 /nfs/dbraw/zinc/61/00/25/384610025.db2.gz OGTLIDNRGOUIAQ-ZETCQYMHSA-N 0 3 212.684 0.928 40 0 BCABHN CC(C)Oc1cc(N2CCNCC2)ncn1 ZINC000085483419 384768659 /nfs/dbraw/zinc/76/86/59/384768659.db2.gz ZXUDMHPLAGDPPN-UHFFFAOYSA-N 0 3 222.292 0.673 40 0 BCABHN O=S(=O)(CC1CC1)N[C@@H]1CCCNC1 ZINC000083139735 384844479 /nfs/dbraw/zinc/84/44/79/384844479.db2.gz GJLZUWGQBYAWCJ-SECBINFHSA-N 0 3 218.322 0.068 40 0 BCABHN N[C@H](C[C@H]([NH3+])C(=O)[O-])c1ccc(F)cc1 ZINC000259461604 384927494 /nfs/dbraw/zinc/92/74/94/384927494.db2.gz OQRQEHHYQFHKKC-BDAKNGLRSA-N 0 3 212.224 0.628 40 0 BCABHN N[C@@H](C[C@@H]([NH3+])c1ccc(F)cc1)C(=O)[O-] ZINC000259461604 384927502 /nfs/dbraw/zinc/92/75/02/384927502.db2.gz OQRQEHHYQFHKKC-BDAKNGLRSA-N 0 3 212.224 0.628 40 0 BCABHN CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178591 385114180 /nfs/dbraw/zinc/11/41/80/385114180.db2.gz OYFQFQLEDRBCEL-PHIMTYICSA-N 0 3 241.335 0.241 40 0 BCABHN CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000061778455 385137824 /nfs/dbraw/zinc/13/78/24/385137824.db2.gz WKDZWOWUGBWEDF-UHFFFAOYSA-N 0 3 212.293 0.187 40 0 BCABHN COCc1cc(N2CCNCC2)nc(C2CC2)n1 ZINC000096516919 385255304 /nfs/dbraw/zinc/25/53/04/385255304.db2.gz POIHTWAEGDPNDV-UHFFFAOYSA-N 0 3 248.330 0.910 40 0 BCABHN Cc1noc(C)c1Cn1cc(CN)nn1 ZINC000050224611 385311250 /nfs/dbraw/zinc/31/12/50/385311250.db2.gz PATVRYMLEMLYLL-UHFFFAOYSA-N 0 3 207.237 0.390 40 0 BCABHN CCc1cc(=O)n(C)c(N2CCC[C@@H](N)C2)n1 ZINC000096516757 385261119 /nfs/dbraw/zinc/26/11/19/385261119.db2.gz LTIOJCOMDMOZHQ-SECBINFHSA-N 0 3 236.319 0.270 40 0 BCABHN CS(=O)(=O)c1c[n-]nc1[C@@H]1CCC[NH2+]C1 ZINC000019685968 385275688 /nfs/dbraw/zinc/27/56/88/385275688.db2.gz ALXAFYVCKSKGSF-SSDOTTSWSA-N 0 3 229.305 0.280 40 0 BCABHN CCS(=O)(=O)[C@H](CO)[C@@H](N)C(C)(C)C ZINC000096525293 385278567 /nfs/dbraw/zinc/27/85/67/385278567.db2.gz ZQGTXFFZPHBBLM-HTQZYQBOSA-N 0 3 223.338 0.155 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@H](COC)C[C@@H]1C ZINC000096532328 385281567 /nfs/dbraw/zinc/28/15/67/385281567.db2.gz DHXKYOXVOHXQKP-AXFHLTTASA-N 0 3 249.376 0.811 40 0 BCABHN NC[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000064874291 385288536 /nfs/dbraw/zinc/28/85/36/385288536.db2.gz MMXYAGMXDVQQJG-MRVPVSSYSA-N 0 3 212.680 0.943 40 0 BCABHN CCOc1cc(N2CCNCC2)cnn1 ZINC000396172998 385329516 /nfs/dbraw/zinc/32/95/16/385329516.db2.gz SVZHDFOOSWIKID-UHFFFAOYSA-N 0 3 208.265 0.285 40 0 BCABHN Cn1c(C(=O)N2CC(N)C2)cc2ccccc21 ZINC000409424444 385331811 /nfs/dbraw/zinc/33/18/11/385331811.db2.gz VECYKJWPPWGZMH-UHFFFAOYSA-N 0 3 229.283 0.961 40 0 BCABHN COc1ccccc1C(=O)CN1CC(N)C1 ZINC000409423573 385332259 /nfs/dbraw/zinc/33/22/59/385332259.db2.gz PGLHJKJMILLBOW-UHFFFAOYSA-N 0 3 220.272 0.521 40 0 BCABHN NC1CN(C(=O)/C=C/c2cccnc2)C1 ZINC000409424626 385333581 /nfs/dbraw/zinc/33/35/81/385333581.db2.gz XDRDBNLPUHUYPS-ONEGZZNKSA-N 0 3 203.245 0.264 40 0 BCABHN O=C1N[C@]2(CCCNC2)Nc2ccccc21 ZINC000013568796 385352129 /nfs/dbraw/zinc/35/21/29/385352129.db2.gz QYBBADXOBPPION-LBPRGKRZSA-N 0 3 217.272 0.922 40 0 BCABHN CO[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000234816461 385325167 /nfs/dbraw/zinc/32/51/67/385325167.db2.gz FPZQKYUOJPOXNB-NXEZZACHSA-N 0 3 212.293 0.376 40 0 BCABHN CNC1CN(S(=O)(=O)c2cccs2)C1 ZINC000306869469 385326651 /nfs/dbraw/zinc/32/66/51/385326651.db2.gz SECIWJXKNVVETJ-UHFFFAOYSA-N 0 3 232.330 0.340 40 0 BCABHN C[C@@H](O)[C@H]1CCCCN1CC(=N)NO ZINC000409428969 385328384 /nfs/dbraw/zinc/32/83/84/385328384.db2.gz NKLSCFRELWEHFW-HTQZYQBOSA-N 0 3 201.270 0.178 40 0 BCABHN CS(=O)(=O)NCCCN1CCCC1 ZINC000013646175 385405073 /nfs/dbraw/zinc/40/50/73/385405073.db2.gz HNIGVQPZJYMXQK-UHFFFAOYSA-N 0 3 206.311 0.022 40 0 BCABHN Cn1nccc1CNCCN1CCCC1 ZINC000036901197 385589826 /nfs/dbraw/zinc/58/98/26/385589826.db2.gz AULAPLQDRYMLMW-UHFFFAOYSA-N 0 3 208.309 0.606 40 0 BCABHN O=C(C1CCC1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257238868 385756152 /nfs/dbraw/zinc/75/61/52/385756152.db2.gz HMWMRTHSEIIWFJ-VXGBXAGGSA-N 0 3 238.331 0.454 40 0 BCABHN CO[C@H]1CCN(CCO)C[C@@]12CCCO2 ZINC000257284532 385762595 /nfs/dbraw/zinc/76/25/95/385762595.db2.gz PDBDPMOJZAQBPM-QWRGUYRKSA-N 0 3 215.293 0.249 40 0 BCABHN c1cncc(NCc2nnn3c2CNCCC3)c1 ZINC000306143979 385992390 /nfs/dbraw/zinc/99/23/90/385992390.db2.gz YSNAVYKLHBQSSK-UHFFFAOYSA-N 0 3 244.302 0.779 40 0 BCABHN COC(=O)c1ccc(C2=NO[C@@H](CN)C2)cc1 ZINC000222550059 386051384 /nfs/dbraw/zinc/05/13/84/386051384.db2.gz IQGJMEMYUYFVHE-SNVBAGLBSA-N 0 3 234.255 0.925 40 0 BCABHN O=C(OCc1ccccc1)[C@@H]1CNCCN1 ZINC000098181738 386226692 /nfs/dbraw/zinc/22/66/92/386226692.db2.gz LYJQBOWGZFNRSI-NSHDSACASA-N 0 3 220.272 0.291 40 0 BCABHN NCc1cc(OCC(F)(F)F)ncn1 ZINC000098214030 386582802 /nfs/dbraw/zinc/58/28/02/386582802.db2.gz RJHZQMZZPRWVOB-UHFFFAOYSA-N 0 3 207.155 0.876 40 0 BCABHN COC(=O)[C@H]1CNC[C@@H](C(F)(F)F)C1 ZINC000116181696 386919331 /nfs/dbraw/zinc/91/93/31/386919331.db2.gz ZFYKDGRNKLVWMO-RITPCOANSA-N 0 3 211.183 0.947 40 0 BCABHN c1cc(N2CCNCC2)nnc1N[C@@H]1CCCO1 ZINC000026444429 387349854 /nfs/dbraw/zinc/34/98/54/387349854.db2.gz UTTOOVFWJHRWSS-LBPRGKRZSA-N 0 3 249.318 0.435 40 0 BCABHN CSC1=CS(=O)(=O)[C@H]2SC(=N)N[C@H]12 ZINC000016789904 388365370 /nfs/dbraw/zinc/36/53/70/388365370.db2.gz UKWAZEMJCGAPFY-RFZPGFLSSA-N 0 3 236.343 0.585 40 0 BCABHN NCc1ccc2c(n1)C[C@H]1CCO[C@@H]1O2 ZINC000242592424 388399566 /nfs/dbraw/zinc/39/95/66/388399566.db2.gz OUBNTMJOKADXAZ-RDDDGLTNSA-N 0 3 206.245 0.838 40 0 BCABHN Cn1c(=O)c2c(nc1C1CC1)CCNC2 ZINC000084249219 388588135 /nfs/dbraw/zinc/58/81/35/388588135.db2.gz BUBBNFCMKURVPN-UHFFFAOYSA-N 0 3 205.261 0.303 40 0 BCABHN CC(C)(C)OC(=O)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC000066309371 388614895 /nfs/dbraw/zinc/61/48/95/388614895.db2.gz SZLUJRHLIZAWGS-NXEZZACHSA-N 0 3 242.319 0.672 40 0 BCABHN COC[C@H]1CN(C)CCN(c2cnccn2)C1 ZINC000248025500 388672220 /nfs/dbraw/zinc/67/22/20/388672220.db2.gz JNEPQZRALDTSKB-NSHDSACASA-N 0 3 236.319 0.491 40 0 BCABHN CC(C)OCCCNCc1cnc(N)nc1 ZINC000062717403 388655789 /nfs/dbraw/zinc/65/57/89/388655789.db2.gz GEXHPMRHDZEODO-UHFFFAOYSA-N 0 3 224.308 0.964 40 0 BCABHN CCNc1ncc(CNC(C)(C)CO)cn1 ZINC000062717517 388655940 /nfs/dbraw/zinc/65/59/40/388655940.db2.gz IZJPJLUKEHENOV-UHFFFAOYSA-N 0 3 224.308 0.769 40 0 BCABHN Cc1ccc([C@H](N)c2nc(CO)n[nH]2)cc1 ZINC000095534196 388776646 /nfs/dbraw/zinc/77/66/46/388776646.db2.gz VXGOPQKLHZULAU-JTQLQIEISA-N 0 3 218.260 0.654 40 0 BCABHN Cc1ccc([C@@H](N)c2nc(CO)n[nH]2)cc1 ZINC000095534197 388777602 /nfs/dbraw/zinc/77/76/02/388777602.db2.gz VXGOPQKLHZULAU-SNVBAGLBSA-N 0 3 218.260 0.654 40 0 BCABHN c1cc2c(ccnc2N2CCNCC2)[nH]1 ZINC000045328768 132298535 /nfs/dbraw/zinc/29/85/35/132298535.db2.gz OLFWGDMDZCFCPV-UHFFFAOYSA-N 0 3 202.261 0.973 40 0 BCABHN c1cc2cc(N3CCNCC3)ncc2[nH]1 ZINC000045328835 132354852 /nfs/dbraw/zinc/35/48/52/132354852.db2.gz WLRCROSWBUJIMB-UHFFFAOYSA-N 0 3 202.261 0.973 40 0 BCABHN NCc1ccnc(N2CCCNC2=O)c1 ZINC000098214028 132312128 /nfs/dbraw/zinc/31/21/28/132312128.db2.gz PIQCSTWATMFMDH-UHFFFAOYSA-N 0 3 206.249 0.460 40 0 BCABHN NC(=O)c1ccccc1N1CCNCC1 ZINC000008764195 132319122 /nfs/dbraw/zinc/31/91/22/132319122.db2.gz MDIKGMQCJZSRTO-UHFFFAOYSA-N 0 3 205.261 0.195 40 0 BCABHN COCC1(C)CCN(C(=O)[C@H](C)N)CC1 ZINC000261592410 135232992 /nfs/dbraw/zinc/23/29/92/135232992.db2.gz VVEZCIKXVHNUND-VIFPVBQESA-N 0 3 214.309 0.609 40 0 BCABHN N[C@H]1C=CN=C2N=CC(Br)=C21 ZINC000602993578 398085715 /nfs/dbraw/zinc/08/57/15/398085715.db2.gz VZQUMPPHYAAXPA-YFKPBYRVSA-N 0 3 212.050 0.973 40 0 BCABHN CC(C)NC(=O)[C@@H]1CNCc2ccnn2C1 ZINC000306133375 167082006 /nfs/dbraw/zinc/08/20/06/167082006.db2.gz MJVXQZVWNARREL-SECBINFHSA-N 0 3 222.292 0.127 40 0 BCABHN CC(C)NC(=O)[C@H]1CNCc2ccnn2C1 ZINC000306133376 167083401 /nfs/dbraw/zinc/08/34/01/167083401.db2.gz MJVXQZVWNARREL-VIFPVBQESA-N 0 3 222.292 0.127 40 0 BCABHN CO[C@@H]1C[NH2+][C@@H](c2nc3ncccc3c(=O)[n-]2)C1 ZINC000253536291 411301136 /nfs/dbraw/zinc/30/11/36/411301136.db2.gz MNAQGCZPJANLRK-IONNQARKSA-N 0 3 246.270 0.780 40 0 BCABHN c1cn(Cc2nnn3c2CNCCC3)cn1 ZINC000306127985 411509024 /nfs/dbraw/zinc/50/90/24/411509024.db2.gz GNAXOOMLRLEGCI-UHFFFAOYSA-N 0 3 218.264 0.016 40 0 BCABHN CCN1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253050 170041155 /nfs/dbraw/zinc/04/11/55/170041155.db2.gz JQSJBXSNDGHNHA-GRYCIOLGSA-N 0 3 238.331 0.622 40 0 BCABHN CCOCCCNC(=O)[C@@H](N)[C@H](C)CC ZINC000019509846 170378168 /nfs/dbraw/zinc/37/81/68/170378168.db2.gz XQUMOYPQVGKMRS-ZJUUUORDSA-N 0 3 216.325 0.903 40 0 BCABHN CC[C@H](C)[C@@H](N)C(=O)NCCCOC ZINC000034974484 171370746 /nfs/dbraw/zinc/37/07/46/171370746.db2.gz VYGAMAHLWYPLSO-DTWKUNHWSA-N 0 3 202.298 0.513 40 0 BCABHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C)CC1 ZINC000011959315 171394492 /nfs/dbraw/zinc/39/44/92/171394492.db2.gz IQHLYENUVUMFMI-UWVGGRQHSA-N 0 3 213.325 0.134 40 0 BCABHN CN(C[C@@H]1CNCCO1)C(=O)OC(C)(C)C ZINC000138216756 172818909 /nfs/dbraw/zinc/81/89/09/172818909.db2.gz NWUVCNHMCLDAOF-VIFPVBQESA-N 0 3 230.308 0.842 40 0 BCABHN CN1CCC(n2cccc(N)c2=O)CC1 ZINC000095097355 173002249 /nfs/dbraw/zinc/00/22/49/173002249.db2.gz CSVZKNGOUZENTO-UHFFFAOYSA-N 0 3 207.277 0.697 40 0 BCABHN CN1CCCN(c2ccc(N)cn2)CC1 ZINC000020217460 173018758 /nfs/dbraw/zinc/01/87/58/173018758.db2.gz YYWHTZQHQXNZLD-UHFFFAOYSA-N 0 3 206.293 0.806 40 0 BCABHN CN1CCC[C@@H](c2cccc(C(N)=O)n2)C1 ZINC000072381202 173023395 /nfs/dbraw/zinc/02/33/95/173023395.db2.gz QEDSRKMWEFSOSX-SECBINFHSA-N 0 3 219.288 0.990 40 0 BCABHN CN1CCN([C@H](CO)Cc2ccccc2)CC1 ZINC000019366339 173095226 /nfs/dbraw/zinc/09/52/26/173095226.db2.gz KAFRFBDJOILROW-AWEZNQCLSA-N 0 3 234.343 0.837 40 0 BCABHN CN1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253202 173199831 /nfs/dbraw/zinc/19/98/31/173199831.db2.gz LPVLGXYPOZEOOH-OUAUKWLOSA-N 0 3 224.304 0.328 40 0 BCABHN CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1 ZINC000072343369 173308130 /nfs/dbraw/zinc/30/81/30/173308130.db2.gz AAMKNTZLEQBOHU-GFCCVEGCSA-N 0 3 233.315 0.206 40 0 BCABHN CNC(=O)[C@]1(c2ccccn2)CCCN1 ZINC000072344021 173308910 /nfs/dbraw/zinc/30/89/10/173308910.db2.gz JSXJDBRJCWKLPP-LLVKDONJSA-N 0 3 205.261 0.406 40 0 BCABHN CNC(=O)c1cc(C[C@H]2CCCN(C)C2)ncn1 ZINC000257324415 173309692 /nfs/dbraw/zinc/30/96/92/173309692.db2.gz WOOWMQRJFOWBPB-SNVBAGLBSA-N 0 3 248.330 0.721 40 0 BCABHN CNCC(=O)N1CCC(c2nccnc2C)CC1 ZINC000072361455 173326117 /nfs/dbraw/zinc/32/61/17/173326117.db2.gz VAUOEQLMGKHCHR-UHFFFAOYSA-N 0 3 248.330 0.710 40 0 BCABHN CNCC(=O)N1CCCC[C@H]1c1ccnc(N)n1 ZINC000072383402 173326400 /nfs/dbraw/zinc/32/64/00/173326400.db2.gz KXWRMJIZEFQCLB-JTQLQIEISA-N 0 3 249.318 0.332 40 0 BCABHN CNCC(=O)N1CCO[C@@H](c2ccccn2)C1 ZINC000072383413 173327754 /nfs/dbraw/zinc/32/77/54/173327754.db2.gz UJHBLGJNYSQRBE-LLVKDONJSA-N 0 3 235.287 0.201 40 0 BCABHN COCC1CCN(C(=O)[C@H](C)N)CC1 ZINC000069633007 174119356 /nfs/dbraw/zinc/11/93/56/174119356.db2.gz YLZMJTDZPYRBOY-QMMMGPOBSA-N 0 3 200.282 0.219 40 0 BCABHN COCCNC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000019483938 174326772 /nfs/dbraw/zinc/32/67/72/174326772.db2.gz YAXKAQMGGKYIAP-BDAKNGLRSA-N 0 3 200.282 0.280 40 0 BCABHN COc1ccc(CNC(=O)[C@@H](N)C(C)C)nn1 ZINC000079435902 175104643 /nfs/dbraw/zinc/10/46/43/175104643.db2.gz IREBFCKXWVGBHW-JTQLQIEISA-N 0 3 238.291 0.085 40 0 BCABHN CCN(CC)C(=O)Cn1cc(CNC)cn1 ZINC000585142933 487864287 /nfs/dbraw/zinc/86/42/87/487864287.db2.gz NYVILXPWVKQHRL-UHFFFAOYSA-N 0 3 224.308 0.471 40 0 BCABHN CCN(CC)CCNCc1cnn(C)c1 ZINC000020075146 520687986 /nfs/dbraw/zinc/68/79/86/520687986.db2.gz QQKBKQQKRBKVRK-UHFFFAOYSA-N 0 3 210.325 0.852 40 0 BCABHN Cc1nn(C)cc1CNC[C@@H]1CCCO1 ZINC000011920325 527693024 /nfs/dbraw/zinc/69/30/24/527693024.db2.gz PXRWPMSIAJENBP-NSHDSACASA-N 0 3 209.293 0.997 40 0 BCABHN Cc1cc(=O)[nH]c([C@@H]2CCCN(CCO)C2)n1 ZINC000072356874 178203066 /nfs/dbraw/zinc/20/30/66/178203066.db2.gz XCRJZTWRLDPHRJ-SNVBAGLBSA-N 0 3 237.303 0.662 40 0 BCABHN COc1ccc2c(c1)C[C@H](CN)C(=O)N2C ZINC000064874353 259313167 /nfs/dbraw/zinc/31/31/67/259313167.db2.gz WHYYKDIYSIECRR-SECBINFHSA-N 0 3 220.272 0.789 40 0 BCABHN Cc1nnc(N2CCNCC2)c2cccnc12 ZINC000072207336 259315263 /nfs/dbraw/zinc/31/52/63/259315263.db2.gz WBJAJEHZTSGNON-UHFFFAOYSA-N 0 3 229.287 0.743 40 0 BCABHN CN(C)Cc1cocc(CN(C)C)c1=O ZINC000001565527 342703170 /nfs/dbraw/zinc/70/31/70/342703170.db2.gz FLKIQMRYFUWOES-UHFFFAOYSA-N 0 3 210.277 0.763 40 0 BCABHN CN(C)CCOCn1nnc2ccccc21 ZINC000001652107 342707030 /nfs/dbraw/zinc/70/70/30/342707030.db2.gz AZVIDFXNCBHRLG-UHFFFAOYSA-N 0 3 220.276 0.967 40 0 BCABHN CN[C@@H](CO)c1cccc(OC)c1OC ZINC000038121309 259344699 /nfs/dbraw/zinc/34/46/99/259344699.db2.gz WSYJHYVGTRDFMA-VIFPVBQESA-N 0 3 211.261 0.957 40 0 BCABHN C[C@H](N)C(=O)N(Cc1cccnc1)C1CC1 ZINC000037801732 343313035 /nfs/dbraw/zinc/31/30/35/343313035.db2.gz DVWPYTLJDPNOEU-VIFPVBQESA-N 0 3 219.288 0.920 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H]2NN=C(N)[C@H]2C1 ZINC000035269924 187257880 /nfs/dbraw/zinc/25/78/80/187257880.db2.gz GCRNGPNGNJSZCC-BQBZGAKWSA-N 0 3 226.280 0.097 40 0 BCABHN CC(C)[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000079420057 187262866 /nfs/dbraw/zinc/26/28/66/187262866.db2.gz DKMIAZCBSZVMSL-UWVGGRQHSA-N 0 3 213.325 0.132 40 0 BCABHN COC(=O)[C@@H](C)CNCC(OC)OC ZINC000047219176 343559884 /nfs/dbraw/zinc/55/98/84/343559884.db2.gz MLUHTEHMVDQJFG-ZETCQYMHSA-N 0 3 205.254 0.004 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCC[C@H](CO)C1 ZINC000036227410 343779660 /nfs/dbraw/zinc/77/96/60/343779660.db2.gz MTHBCEPULQLQCR-WDEREUQCSA-N 0 3 226.320 0.359 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCN(C2CC2)CC1 ZINC000037826974 343783428 /nfs/dbraw/zinc/78/34/28/343783428.db2.gz NMPPFZFJHGTMRP-LBPRGKRZSA-N 0 3 237.347 0.435 40 0 BCABHN N[C@H](CN1C(=O)COCC1=O)c1ccccc1 ZINC000041074594 343784545 /nfs/dbraw/zinc/78/45/45/343784545.db2.gz XCONFEXZJXFPOC-SNVBAGLBSA-N 0 3 234.255 0.072 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC[C@@H](F)C1 ZINC000146268379 343788640 /nfs/dbraw/zinc/78/86/40/343788640.db2.gz GXDUSAKHZPJHBB-RKDXNWHRSA-N 0 3 200.257 0.699 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000309519676 343790534 /nfs/dbraw/zinc/79/05/34/343790534.db2.gz SXVMOIGTRBRRAS-JGVFFNPUSA-N 0 3 218.247 0.710 40 0 BCABHN CCOC[C@H]1CCCCN1C(=O)CNC ZINC000313243369 343791349 /nfs/dbraw/zinc/79/13/49/343791349.db2.gz HJKVIOJKIPDFBV-SNVBAGLBSA-N 0 3 214.309 0.623 40 0 BCABHN N=C(CN1C[C@H]2CCCC[C@@]2(CO)C1)NO ZINC000409427066 343800130 /nfs/dbraw/zinc/80/01/30/343800130.db2.gz DPJCYKBFVDWXJC-KOLCDFICSA-N 0 3 227.308 0.427 40 0 BCABHN CNCC(=O)N1CC[C@@]2(C1)C[C@@H](OC)CCO2 ZINC000409428355 343803207 /nfs/dbraw/zinc/80/32/07/343803207.db2.gz GINMSZNORGQJGI-JQWIXIFHSA-N 0 3 242.319 0.002 40 0 BCABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCSC1 ZINC000409427335 343800522 /nfs/dbraw/zinc/80/05/22/343800522.db2.gz DUHWOOHXMPBBFD-JGVFFNPUSA-N 0 3 202.323 0.688 40 0 BCABHN N=C(CN1CC[C@H](O)[C@H](CC2CC2)C1)NO ZINC000409427386 343801234 /nfs/dbraw/zinc/80/12/34/343801234.db2.gz FBHMERMGCFMRHE-ZJUUUORDSA-N 0 3 227.308 0.425 40 0 BCABHN CCCCN1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422898 343814297 /nfs/dbraw/zinc/81/42/97/343814297.db2.gz LZWGYLDPMNNKHF-ZJUUUORDSA-N 0 3 215.293 0.642 40 0 BCABHN O=c1c2sccc2ncn1C1CNC1 ZINC000409422949 343814338 /nfs/dbraw/zinc/81/43/38/343814338.db2.gz NFUVWBWQYIEQQF-UHFFFAOYSA-N 0 3 207.258 0.602 40 0 BCABHN CCc1cc(N2CCNCC2)n2cnnc2n1 ZINC000409422893 343814372 /nfs/dbraw/zinc/81/43/72/343814372.db2.gz LYQMQBJVLOKDOG-UHFFFAOYSA-N 0 3 232.291 0.096 40 0 BCABHN NC1CN(CC(=O)c2ccc(F)cc2F)C1 ZINC000409424223 343817320 /nfs/dbraw/zinc/81/73/20/343817320.db2.gz TULKFYBRLXVHTA-UHFFFAOYSA-N 0 3 226.226 0.790 40 0 BCABHN O=Cc1cn(C[C@@H]2CCCN2CC2CC2)nn1 ZINC000409424184 343817387 /nfs/dbraw/zinc/81/73/87/343817387.db2.gz FMVYCWDCMAWCRB-LBPRGKRZSA-N 0 3 234.303 0.965 40 0 BCABHN CCOC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC000409425068 343818156 /nfs/dbraw/zinc/81/81/56/343818156.db2.gz JIKYCKPMYZYOIE-VIFPVBQESA-N 0 3 239.279 0.140 40 0 BCABHN COc1cccc2c1CCN2C(=O)[C@@H](C)N ZINC000409425044 343818218 /nfs/dbraw/zinc/81/82/18/343818218.db2.gz DVYPPHHKJVGAJY-MRVPVSSYSA-N 0 3 220.272 0.932 40 0 BCABHN CC(F)(F)[C@@H]1CCCN(C(=O)CN)C1 ZINC000409425063 343818301 /nfs/dbraw/zinc/81/83/01/343818301.db2.gz DXTPLOSOQDTKRU-SSDOTTSWSA-N 0 3 206.236 0.839 40 0 BCABHN NCC(=O)N(CC1CC1)C1CCOCC1 ZINC000409425195 343818714 /nfs/dbraw/zinc/81/87/14/343818714.db2.gz AASVWQXARZHGTR-UHFFFAOYSA-N 0 3 212.293 0.363 40 0 BCABHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1CO ZINC000409425167 343818728 /nfs/dbraw/zinc/81/87/28/343818728.db2.gz FIBAMPMNIFUWJG-VWYCJHECSA-N 0 3 226.320 0.215 40 0 BCABHN Cc1nn(CC2CCC2)c(=O)n1C1CNC1 ZINC000409425285 343818730 /nfs/dbraw/zinc/81/87/30/343818730.db2.gz KKPGTBDMFPUWIW-UHFFFAOYSA-N 0 3 222.292 0.298 40 0 BCABHN CCOC[C@H]1CN(C(=O)CNC)CC1(C)C ZINC000409426284 343821854 /nfs/dbraw/zinc/82/18/54/343821854.db2.gz BWTGBFVQEBUVNL-SNVBAGLBSA-N 0 3 228.336 0.727 40 0 BCABHN N=C(CN1CCOc2ccc(F)cc2C1)NO ZINC000409426176 343822060 /nfs/dbraw/zinc/82/20/60/343822060.db2.gz HSOOAVVKARWCRN-UHFFFAOYSA-N 0 3 239.250 0.976 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1C ZINC000409431805 343822836 /nfs/dbraw/zinc/82/28/36/343822836.db2.gz SUABIXOSMYRVOG-YIZRAAEISA-N 0 3 200.282 0.075 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C ZINC000409431802 343823026 /nfs/dbraw/zinc/82/30/26/343823026.db2.gz SUABIXOSMYRVOG-HLTSFMKQSA-N 0 3 200.282 0.075 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1C ZINC000409431801 343823098 /nfs/dbraw/zinc/82/30/98/343823098.db2.gz SUABIXOSMYRVOG-CIUDSAMLSA-N 0 3 200.282 0.075 40 0 BCABHN Cn1ccc([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000409432546 343827119 /nfs/dbraw/zinc/82/71/19/343827119.db2.gz WBBOYQCBKXGZNC-SECBINFHSA-N 0 3 222.292 0.085 40 0 BCABHN CCOC[C@@H]1CC(F)(F)CN1CC(=N)NO ZINC000409429082 343804693 /nfs/dbraw/zinc/80/46/93/343804693.db2.gz HJBZWFPBIQIOHZ-ZETCQYMHSA-N 0 3 237.250 0.689 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 ZINC000409432750 343827468 /nfs/dbraw/zinc/82/74/68/343827468.db2.gz WHNSENSESGLLOC-UWVGGRQHSA-N 0 3 236.319 0.473 40 0 BCABHN N=C(CN1CCOC[C@H]2CCCC[C@H]21)NO ZINC000409434370 343831639 /nfs/dbraw/zinc/83/16/39/343831639.db2.gz OWPZWWSEMPFJSL-NXEZZACHSA-N 0 3 227.308 0.833 40 0 BCABHN CNCC(=O)N1CCOC[C@H]2CCCC[C@@H]21 ZINC000409435174 343832840 /nfs/dbraw/zinc/83/28/40/343832840.db2.gz SSQKYDFJBSJJNR-MNOVXSKESA-N 0 3 226.320 0.623 40 0 BCABHN COC[C@@]12CCC[C@H]1CN(C(=O)CN)C2 ZINC000409435358 343833176 /nfs/dbraw/zinc/83/31/76/343833176.db2.gz UGIHQTGOYGXKFX-ONGXEEELSA-N 0 3 212.293 0.220 40 0 BCABHN COC[C@H]1CN(C(=O)CN)CC1(C)C ZINC000409435149 343836059 /nfs/dbraw/zinc/83/60/59/343836059.db2.gz SQFYVTVARVDNHA-MRVPVSSYSA-N 0 3 200.282 0.076 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409436060 343837033 /nfs/dbraw/zinc/83/70/33/343837033.db2.gz XWZIUUBQSGFZSK-NHCYSSNCSA-N 0 3 226.320 0.345 40 0 BCABHN CNCC(=O)N1C[C@@H](COC)C2(CCCC2)C1 ZINC000409436240 343838097 /nfs/dbraw/zinc/83/80/97/343838097.db2.gz YUVHBZKIBMELMJ-NSHDSACASA-N 0 3 240.347 0.871 40 0 BCABHN N=C(CN1CC[C@@](CO)(C(F)(F)F)C1)NO ZINC000409436198 343838116 /nfs/dbraw/zinc/83/81/16/343838116.db2.gz YOBRGABZJBCREN-SSDOTTSWSA-N 0 3 241.213 0.189 40 0 BCABHN CNCC(=O)N1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409436326 343838816 /nfs/dbraw/zinc/83/88/16/343838816.db2.gz ZHBSJZMSWTUVOF-NSHDSACASA-N 0 3 240.347 0.607 40 0 BCABHN CN(C)[C@@H](CN)c1ccc(N2CCOCC2)o1 ZINC000409437690 343848385 /nfs/dbraw/zinc/84/83/85/343848385.db2.gz ATYONGGWGLKPTH-JTQLQIEISA-N 0 3 239.319 0.678 40 0 BCABHN NCC(F)(CN)Cc1ccccc1F ZINC000585142112 343876999 /nfs/dbraw/zinc/87/69/99/343876999.db2.gz CSXULHRYOZGILO-UHFFFAOYSA-N 0 3 200.232 0.994 40 0 BCABHN COc1ccc([C@H]2C[C@H](N)C(=O)N2C)cc1 ZINC000409442594 343861208 /nfs/dbraw/zinc/86/12/08/343861208.db2.gz XUWGFKWZAXGEAN-WDEREUQCSA-N 0 3 220.272 0.926 40 0 BCABHN CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCCNC2 ZINC000096157269 187288729 /nfs/dbraw/zinc/28/87/29/187288729.db2.gz POSYTPXCOMUOHG-LBPRGKRZSA-N 0 3 239.319 0.752 40 0 BCABHN CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C)C[C@H]1O2 ZINC000096252958 344371208 /nfs/dbraw/zinc/37/12/08/344371208.db2.gz ILBSDRXEMZKUCH-OUAUKWLOSA-N 0 3 226.320 0.478 40 0 BCABHN CCN1C(=O)C[C@@H](N)[C@H]1c1cccnc1 ZINC000062209181 323090939 /nfs/dbraw/zinc/09/09/39/323090939.db2.gz BNMDHNOQLYQAMN-MWLCHTKSSA-N 0 3 205.261 0.702 40 0 BCABHN Cc1nc(NC2CC2)cc(N2CCNCC2)n1 ZINC000258858619 345786119 /nfs/dbraw/zinc/78/61/19/345786119.db2.gz BXQZBJTYPIRQMG-UHFFFAOYSA-N 0 3 233.319 0.769 40 0 BCABHN Cc1cccc(CC(=O)N2CC(N)C2)c1 ZINC000082590454 345909938 /nfs/dbraw/zinc/90/99/38/345909938.db2.gz QUTUMBLHYXVPDW-UHFFFAOYSA-N 0 3 204.273 0.707 40 0 BCABHN Cc1ccc(NC(=O)CN2CC(N)C2)cc1 ZINC000082595775 345910423 /nfs/dbraw/zinc/91/04/23/345910423.db2.gz LAVILGOYVBYYHZ-UHFFFAOYSA-N 0 3 219.288 0.576 40 0 BCABHN NCC(=O)N1CCC(C(F)(F)F)CC1 ZINC000083889820 345920940 /nfs/dbraw/zinc/92/09/40/345920940.db2.gz ZEKDACGKQQMBRF-UHFFFAOYSA-N 0 3 210.199 0.746 40 0 BCABHN c1cc(N2CCNCC2)nc(NC2CC2)n1 ZINC000084490716 345923824 /nfs/dbraw/zinc/92/38/24/345923824.db2.gz ZIXWJOSJOMVIRG-UHFFFAOYSA-N 0 3 219.292 0.461 40 0 BCABHN COCCNc1cc(N)nc(C2CC2)n1 ZINC000087908925 345940367 /nfs/dbraw/zinc/94/03/67/345940367.db2.gz RJBYVDGTQDKQOE-UHFFFAOYSA-N 0 3 208.265 0.995 40 0 BCABHN CN(c1ccc(N)nn1)C1CCN(C)CC1 ZINC000159884306 346434109 /nfs/dbraw/zinc/43/41/09/346434109.db2.gz VBOSAEYDIXEMBE-UHFFFAOYSA-N 0 3 221.308 0.589 40 0 BCABHN Cc1cnn(C)c1CNC[C@@H]1CCCO1 ZINC000256053690 179720331 /nfs/dbraw/zinc/72/03/31/179720331.db2.gz SLIMSRYFXKYLCG-JTQLQIEISA-N 0 3 209.293 0.997 40 0 BCABHN Cc1nc2c(c(=O)n1CC1CC1)CNCC2 ZINC000096516481 180067121 /nfs/dbraw/zinc/06/71/21/180067121.db2.gz VSRDHPAMEPXPJY-UHFFFAOYSA-N 0 3 219.288 0.607 40 0 BCABHN CO[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000151883746 191067397 /nfs/dbraw/zinc/06/73/97/191067397.db2.gz MSNHYYJCTHWAPX-GHMZBOCLSA-N 0 3 226.320 0.766 40 0 BCABHN Cc1ncc([C@@H](CN)N2CCCC2)cn1 ZINC000096511154 180174438 /nfs/dbraw/zinc/17/44/38/180174438.db2.gz CJVFQPARUHYRME-LLVKDONJSA-N 0 3 206.293 0.881 40 0 BCABHN N=C(CN1C[C@@H]2CCC(F)(F)[C@H]2C1)NO ZINC000409424662 350475962 /nfs/dbraw/zinc/47/59/62/350475962.db2.gz COBYADRAEKEGLB-BQBZGAKWSA-N 0 3 219.235 0.920 40 0 BCABHN NCC(=O)N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409428981 350476917 /nfs/dbraw/zinc/47/69/17/350476917.db2.gz NKTLVYOBJFTLAC-HTQZYQBOSA-N 0 3 218.247 0.839 40 0 BCABHN CCOC(=O)C[C@]1(O)CN2CCC1CC2 ZINC000052248720 350972624 /nfs/dbraw/zinc/97/26/24/350972624.db2.gz UIBGSIXBZFXWIC-NSHDSACASA-N 0 3 213.277 0.396 40 0 BCABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCN(C)C1 ZINC000040673622 363145475 /nfs/dbraw/zinc/14/54/75/363145475.db2.gz BEZIYXRYOQMVKT-UWVGGRQHSA-N 0 3 213.325 0.180 40 0 BCABHN C[C@H](N)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040430943 363145900 /nfs/dbraw/zinc/14/59/00/363145900.db2.gz HQRSYHZQMWOHBJ-DTWKUNHWSA-N 0 3 236.271 0.290 40 0 BCABHN CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079417867 188291585 /nfs/dbraw/zinc/29/15/85/188291585.db2.gz QFIJGRBRXIJWNO-MNOVXSKESA-N 0 3 241.335 0.049 40 0 BCABHN CC(C)N(C(=O)CN)[C@H]1CCCN(C)C1 ZINC000079406959 188291689 /nfs/dbraw/zinc/29/16/89/188291689.db2.gz ITEHCPSXNOLCGE-JTQLQIEISA-N 0 3 213.325 0.276 40 0 BCABHN CC(=O)N(C[C@H]1CCN(C(=O)CN)C1)C(C)C ZINC000079417360 188292114 /nfs/dbraw/zinc/29/21/14/188292114.db2.gz HGHSCFSETIZDNC-NSHDSACASA-N 0 3 241.335 0.051 40 0 BCABHN CC(C)[C@H](N)c1nc(Cn2cccn2)n[nH]1 ZINC000095534746 188320417 /nfs/dbraw/zinc/32/04/17/188320417.db2.gz NFMCFSVOICYWRD-VIFPVBQESA-N 0 3 220.280 0.705 40 0 BCABHN CC(=O)N1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000257285513 188369441 /nfs/dbraw/zinc/36/94/41/188369441.db2.gz PHMNDQJMHVNUEN-SNVBAGLBSA-N 0 3 249.318 0.107 40 0 BCABHN C(O[C@@H]1CCOC2(CNC2)C1)C1CCOCC1 ZINC000247919283 188369543 /nfs/dbraw/zinc/36/95/43/188369543.db2.gz BWJMPCWKWAEAJO-GFCCVEGCSA-N 0 3 241.331 0.951 40 0 BCABHN NC(=O)[C@]1(N)CCN(Cc2ccccc2)C1 ZINC000037870584 181284764 /nfs/dbraw/zinc/28/47/64/181284764.db2.gz UWRFQTAIEVIVDY-LBPRGKRZSA-N 0 3 219.288 0.075 40 0 BCABHN NCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000034936249 181349429 /nfs/dbraw/zinc/34/94/29/181349429.db2.gz BQFUOARICDRDTJ-LLVKDONJSA-N 0 3 220.272 0.545 40 0 BCABHN CN(C)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O ZINC000205695940 368357733 /nfs/dbraw/zinc/35/77/33/368357733.db2.gz HNQGLWOSXZIONX-RKDXNWHRSA-N 0 3 240.328 0.495 40 0 BCABHN C[C@@]1(c2cc[nH]n2)CCCN(CCO)C1 ZINC000205701845 368359721 /nfs/dbraw/zinc/35/97/21/368359721.db2.gz PZEYXRPYSFHTNH-LLVKDONJSA-N 0 3 209.293 0.756 40 0 BCABHN CNCC(=O)N1CCC[C@H](c2nccnc2C)C1 ZINC000205700880 368360208 /nfs/dbraw/zinc/36/02/08/368360208.db2.gz PEFVKVKZIYQVGW-NSHDSACASA-N 0 3 248.330 0.710 40 0 BCABHN CO[C@@H]1CN[C@H](c2nc3ccncc3c(=O)[nH]2)C1 ZINC000253536078 370175699 /nfs/dbraw/zinc/17/56/99/370175699.db2.gz GXQPDRXAADVDEQ-XVKPBYJWSA-N 0 3 246.270 0.780 40 0 BCABHN O=C(CSC1=NCCN1)NCc1ccccc1 ZINC000001994472 182008251 /nfs/dbraw/zinc/00/82/51/182008251.db2.gz QTXBGBUOXQTJSG-UHFFFAOYSA-N 0 3 249.339 0.995 40 0 BCABHN OCCN1CCCC[C@@H]1c1cc(CO)[nH]n1 ZINC000072356863 183072181 /nfs/dbraw/zinc/07/21/81/183072181.db2.gz MKSQCQSQIRDXMJ-LLVKDONJSA-N 0 3 225.292 0.421 40 0 BCABHN OCCN1CCC(c2ccncn2)CC1 ZINC000072356857 183072627 /nfs/dbraw/zinc/07/26/27/183072627.db2.gz CYKASKDHWLGJHP-UHFFFAOYSA-N 0 3 207.277 0.648 40 0 BCABHN O[C@H]1[C@@H]2CC[C@H]1[C@@H](N1CCOCC1)CC2 ZINC000005105707 183213406 /nfs/dbraw/zinc/21/34/06/183213406.db2.gz UMPQDIIYRFNIIY-RHYQMDGZSA-N 0 3 211.305 0.868 40 0 BCABHN c1c(N2CCNCC2)n[nH]c1-c1ccncc1 ZINC000062669865 183328607 /nfs/dbraw/zinc/32/86/07/183328607.db2.gz LJFSUAHJUFNMTO-UHFFFAOYSA-N 0 3 229.287 0.881 40 0 BCABHN CC(C)C[C@H]1CN(C(=O)CN)CC[C@H]1O ZINC000409435326 383835460 /nfs/dbraw/zinc/83/54/60/383835460.db2.gz UDKJUQMRIYUWHP-VHSXEESVSA-N 0 3 214.309 0.201 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409433902 383829796 /nfs/dbraw/zinc/82/97/96/383829796.db2.gz NSNOXNVOGWTPFW-JMJZKYOTSA-N 0 3 226.320 0.343 40 0 BCABHN CN(Cc1ccc2c(c1)OCCO2)C(=O)CN ZINC000037799467 383885414 /nfs/dbraw/zinc/88/54/14/383885414.db2.gz CCTHDZVMUSKFTF-UHFFFAOYSA-N 0 3 236.271 0.375 40 0 BCABHN COCCCNC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000034974500 384009053 /nfs/dbraw/zinc/00/90/53/384009053.db2.gz VJDNWIKFDFYLJU-UWVGGRQHSA-N 0 3 214.309 0.670 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCN(C)C1 ZINC000079407502 384135905 /nfs/dbraw/zinc/13/59/05/384135905.db2.gz RWUFYIGFHGPTBN-UWVGGRQHSA-N 0 3 213.325 0.132 40 0 BCABHN COC[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392055 384132922 /nfs/dbraw/zinc/13/29/22/384132922.db2.gz ROTSKXNSBATLKR-UWVGGRQHSA-N 0 3 214.309 0.465 40 0 BCABHN COc1ccc(CN(C(=O)CN)C(C)C)nn1 ZINC000079435685 384146938 /nfs/dbraw/zinc/14/69/38/384146938.db2.gz GXMIFPVQSJHZES-UHFFFAOYSA-N 0 3 238.291 0.181 40 0 BCABHN C[C@H](N)C(=O)N(C)CC(=O)c1ccc[nH]1 ZINC000079436523 384147035 /nfs/dbraw/zinc/14/70/35/384147035.db2.gz PBUOIHGOYSVHFP-ZETCQYMHSA-N 0 3 209.249 0.003 40 0 BCABHN CN(C)CCNC(=S)Nc1cccnc1 ZINC000006319851 384150336 /nfs/dbraw/zinc/15/03/36/384150336.db2.gz GCFPNZJJNCJFSF-UHFFFAOYSA-N 0 3 224.333 0.930 40 0 BCABHN CC(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079417598 384138583 /nfs/dbraw/zinc/13/85/83/384138583.db2.gz OVAZKZOJRVKSQT-INTQDDNPSA-N 0 3 241.335 0.239 40 0 BCABHN CCN(C(C)=O)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079417337 384138730 /nfs/dbraw/zinc/13/87/30/384138730.db2.gz CGDQNLXSRHEOBQ-GHMZBOCLSA-N 0 3 241.335 0.241 40 0 BCABHN CC(=O)N(C[C@@H]1CCN(C(=O)CN)C1)C(C)C ZINC000079417358 384139857 /nfs/dbraw/zinc/13/98/57/384139857.db2.gz HGHSCFSETIZDNC-LLVKDONJSA-N 0 3 241.335 0.051 40 0 BCABHN CCN(C(C)=O)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417629 384139965 /nfs/dbraw/zinc/13/99/65/384139965.db2.gz WQLNIFNYPOYERF-ONGXEEELSA-N 0 3 241.335 0.193 40 0 BCABHN CCN(C(C)=O)[C@@H]1CCCN(CCO)C1 ZINC000079416439 384140331 /nfs/dbraw/zinc/14/03/31/384140331.db2.gz DSMLALHSXRRYRT-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN NCc1ccc(-c2cccnc2)[nH]c1=O ZINC000043404309 384187519 /nfs/dbraw/zinc/18/75/19/384187519.db2.gz PXQOCYKEELOTFL-UHFFFAOYSA-N 0 3 201.229 0.896 40 0 BCABHN CNc1cncc([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000072383389 384218878 /nfs/dbraw/zinc/21/88/78/384218878.db2.gz VXLHXOIFWKAZGE-VIFPVBQESA-N 0 3 249.318 0.183 40 0 BCABHN CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000074707296 384300400 /nfs/dbraw/zinc/30/04/00/384300400.db2.gz VHQUFPVMPRJDGE-NSHDSACASA-N 0 3 226.320 0.623 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC2CC2)C1 ZINC000083236028 384365197 /nfs/dbraw/zinc/36/51/97/384365197.db2.gz FLYJWEBTYFZRRY-NXEZZACHSA-N 0 3 242.319 0.719 40 0 BCABHN CC(=O)[C@@H]1CN(c2ccncc2)CCO1 ZINC000095496225 384379865 /nfs/dbraw/zinc/37/98/65/384379865.db2.gz BBJHGSILXNXWPG-NSHDSACASA-N 0 3 206.245 0.876 40 0 BCABHN c1cncc(OCc2nnn3c2CNCCC3)c1 ZINC000096084394 384434024 /nfs/dbraw/zinc/43/40/24/384434024.db2.gz IYRKIQASYOLIGL-UHFFFAOYSA-N 0 3 245.286 0.745 40 0 BCABHN CCS(=O)(=O)[C@@]1(CN)C[C@H](COC)C[C@@H]1C ZINC000096532331 384464022 /nfs/dbraw/zinc/46/40/22/384464022.db2.gz DHXKYOXVOHXQKP-HBNTYKKESA-N 0 3 249.376 0.811 40 0 BCABHN CCN(C(C)=O)[C@H]1CCCN(CCO)C1 ZINC000079416442 384496749 /nfs/dbraw/zinc/49/67/49/384496749.db2.gz DSMLALHSXRRYRT-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@@H](COC)C[C@H]1C ZINC000242463715 384616064 /nfs/dbraw/zinc/61/60/64/384616064.db2.gz DHXKYOXVOHXQKP-VWYCJHECSA-N 0 3 249.376 0.811 40 0 BCABHN Cc1c(CNCCO)cnn1CC(F)F ZINC000256049994 384843423 /nfs/dbraw/zinc/84/34/23/384843423.db2.gz CEKNIJYCUDFTQY-UHFFFAOYSA-N 0 3 219.235 0.539 40 0 BCABHN Cc1cc([C@H](C)O)cnc1N1CCNCC1 ZINC000072222534 385110501 /nfs/dbraw/zinc/11/05/01/385110501.db2.gz ZBBLRKGXIQRDBK-JTQLQIEISA-N 0 3 221.304 0.853 40 0 BCABHN C[C@@H](NC[C@H]1CCCO1)C(=O)N1CCOCC1 ZINC000004969154 385180101 /nfs/dbraw/zinc/18/01/01/385180101.db2.gz GFPYYFCRILKXIK-GHMZBOCLSA-N 0 3 242.319 0.002 40 0 BCABHN NCc1cn(CC(=O)Nc2ccccc2)nn1 ZINC000050224579 385312294 /nfs/dbraw/zinc/31/22/94/385312294.db2.gz WUDLXEGZDJDSDF-UHFFFAOYSA-N 0 3 231.259 0.376 40 0 BCABHN [NH3+][C@H]1CCN(c2nc(=O)c3sccc3[n-]2)C1 ZINC000096515917 385259600 /nfs/dbraw/zinc/25/96/00/385259600.db2.gz HNHRCBGUQGUYDW-LURJTMIESA-N 0 3 236.300 0.522 40 0 BCABHN NC[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000064874290 385290199 /nfs/dbraw/zinc/29/01/99/385290199.db2.gz MMXYAGMXDVQQJG-QMMMGPOBSA-N 0 3 212.680 0.943 40 0 BCABHN c1cc(N2CCNCC2)nnc1N1CCC1 ZINC000409428787 385327353 /nfs/dbraw/zinc/32/73/53/385327353.db2.gz OKDNTFJLVKQYQX-UHFFFAOYSA-N 0 3 219.292 0.096 40 0 BCABHN C[C@H](O)[C@H]1CCCCN1CC(=N)NO ZINC000409428972 385328337 /nfs/dbraw/zinc/32/83/37/385328337.db2.gz NKLSCFRELWEHFW-JGVFFNPUSA-N 0 3 201.270 0.178 40 0 BCABHN O=C([C@H]1CCCN(C[C@@H]2CO2)C1)N1CCCC1 ZINC000095097813 385454142 /nfs/dbraw/zinc/45/41/42/385454142.db2.gz XWPLFLQCOWOYEH-NWDGAFQWSA-N 0 3 238.331 0.720 40 0 BCABHN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC000095932916 385889094 /nfs/dbraw/zinc/88/90/94/385889094.db2.gz MOKVJORVJPSZHK-YUMQZZPRSA-N 0 3 244.291 0.354 40 0 BCABHN Cc1cc(C)n2nc3c(c2n1)CNCC3 ZINC000216814660 385872618 /nfs/dbraw/zinc/87/26/18/385872618.db2.gz CJZINTVCFHLDRP-UHFFFAOYSA-N 0 3 202.261 0.992 40 0 BCABHN O=S1(=O)CCCC[C@@]12CCCNC2 ZINC000306145717 385995000 /nfs/dbraw/zinc/99/50/00/385995000.db2.gz OLYLXZHFWVZECW-VIFPVBQESA-N 0 3 203.307 0.707 40 0 BCABHN NC[C@@H]1CCN(c2ccccc2F)S1(=O)=O ZINC000222542175 386051798 /nfs/dbraw/zinc/05/17/98/386051798.db2.gz KESPGFCLSAJWCM-QMMMGPOBSA-N 0 3 244.291 0.693 40 0 BCABHN COc1ccc(O[C@@H]2COC[C@H]2N)cc1 ZINC000218679889 386261122 /nfs/dbraw/zinc/26/11/22/386261122.db2.gz VXPXAUYNVIDYSV-GHMZBOCLSA-N 0 3 209.245 0.800 40 0 BCABHN c1c(N2CCNCC2)n[nH]c1-c1cccnc1 ZINC000062669870 386521509 /nfs/dbraw/zinc/52/15/09/386521509.db2.gz SCBBIFQQNJDTJI-UHFFFAOYSA-N 0 3 229.287 0.881 40 0 BCABHN COC(=O)C[C@@H]1CN[C@@H]2CCCC[C@H]2NC1=O ZINC000245227631 386588128 /nfs/dbraw/zinc/58/81/28/386588128.db2.gz LFPMYLXHLRBOCF-OPRDCNLKSA-N 0 3 240.303 0.196 40 0 BCABHN O=c1cc2c(nn1C[C@@H]1CCCO1)CCNC2 ZINC000063169854 386541642 /nfs/dbraw/zinc/54/16/42/386541642.db2.gz KSDMNBQAJLHWNO-JTQLQIEISA-N 0 3 235.287 0.068 40 0 BCABHN NC[C@@H](O)c1ccc(Br)cn1 ZINC000083300753 386664323 /nfs/dbraw/zinc/66/43/23/386664323.db2.gz IUTDFFXYYPAZIG-SSDOTTSWSA-N 0 3 217.066 0.836 40 0 BCABHN Cc1c(O)c(=O)ccn1C[C@H]1CCCN1C ZINC000575410697 387013486 /nfs/dbraw/zinc/01/34/86/387013486.db2.gz AOYBGXPXTCJHMJ-SNVBAGLBSA-N 0 3 222.288 0.957 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=N)NO ZINC000071257749 387097165 /nfs/dbraw/zinc/09/71/65/387097165.db2.gz MFWVKJSZKJGCEM-RQJHMYQMSA-N 0 3 245.279 0.313 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=N)NO ZINC000071257748 387097690 /nfs/dbraw/zinc/09/76/90/387097690.db2.gz MFWVKJSZKJGCEM-BQBZGAKWSA-N 0 3 245.279 0.313 40 0 BCABHN O=S(=O)(CC1CC1)N[C@H]1CCCNC1 ZINC000083139732 387400832 /nfs/dbraw/zinc/40/08/32/387400832.db2.gz GJLZUWGQBYAWCJ-VIFPVBQESA-N 0 3 218.322 0.068 40 0 BCABHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000053254940 387556130 /nfs/dbraw/zinc/55/61/30/387556130.db2.gz JAOFDXGCKCBOBL-QMMMGPOBSA-N 0 3 246.357 0.778 40 0 BCABHN CN1CC[C@@H](O)[C@H](Cc2ccncc2)C1 ZINC000242538969 387684343 /nfs/dbraw/zinc/68/43/43/387684343.db2.gz JKERHQVRJCSDMC-VXGBXAGGSA-N 0 3 206.289 0.937 40 0 BCABHN Cc1cnn(C)c1CNC[C@H]1CCCO1 ZINC000256053691 387863269 /nfs/dbraw/zinc/86/32/69/387863269.db2.gz SLIMSRYFXKYLCG-SNVBAGLBSA-N 0 3 209.293 0.997 40 0 BCABHN O=C([O-])C1([NH+]2CCCCC2)CCNCC1 ZINC000040695484 388081347 /nfs/dbraw/zinc/08/13/47/388081347.db2.gz CCVQMOCULRFSLH-UHFFFAOYSA-N 0 3 212.293 0.679 40 0 BCABHN CN(C)c1cnnc(N2CCNCC2)c1Cl ZINC000217513764 388375315 /nfs/dbraw/zinc/37/53/15/388375315.db2.gz ZPZUWVJTPQZWGN-UHFFFAOYSA-N 0 3 241.726 0.606 40 0 BCABHN CCS(=O)(=O)C1C(=O)N2CCCC[C@H]12 ZINC000217736220 388379818 /nfs/dbraw/zinc/37/98/18/388379818.db2.gz HIXQQNIYGGRPMQ-HTQZYQBOSA-N 0 3 217.290 0.184 40 0 BCABHN Cc1ccc(S(=O)(=O)[C@@H]2C[C@]2(N)CN)cc1 ZINC000217989295 388385121 /nfs/dbraw/zinc/38/51/21/388385121.db2.gz NUYWZGSLCCTQKJ-MNOVXSKESA-N 0 3 240.328 0.197 40 0 BCABHN c1ccc(CNC[C@H]2COCCN2)cc1 ZINC000080691841 388713011 /nfs/dbraw/zinc/71/30/11/388713011.db2.gz IOTFDTQKBMERCM-LBPRGKRZSA-N 0 3 206.289 0.765 40 0 BCABHN c1ccc(CNC[C@@H]2COCCN2)cc1 ZINC000080691839 388713669 /nfs/dbraw/zinc/71/36/69/388713669.db2.gz IOTFDTQKBMERCM-GFCCVEGCSA-N 0 3 206.289 0.765 40 0 BCABHN CC(C)N1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369191428 132284200 /nfs/dbraw/zinc/28/42/00/132284200.db2.gz KCEDXRHHBVHQRK-UHFFFAOYSA-N 0 3 222.292 0.713 40 0 BCABHN O=c1cc(N2CCNCC2)nc2ccccn12 ZINC000000006940 132312422 /nfs/dbraw/zinc/31/24/22/132312422.db2.gz YMZVMQZXOZLAIX-UHFFFAOYSA-N 0 3 230.271 0.104 40 0 BCABHN CC1CCN(c2nc3c(c(=O)[n-]2)CC[NH2+]C3)CC1 ZINC000013495692 132321966 /nfs/dbraw/zinc/32/19/66/132321966.db2.gz VFTFYLBCSSHDFF-UHFFFAOYSA-N 0 3 248.330 0.652 40 0 BCABHN O=C([O-])CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000034746270 132336741 /nfs/dbraw/zinc/33/67/41/132336741.db2.gz RLVJFPZSYJOKNM-UHFFFAOYSA-N 0 3 235.287 0.678 40 0 BCABHN CCOc1nc(Cl)nc(N2CCNCC2)n1 ZINC000070616292 132391553 /nfs/dbraw/zinc/39/15/53/132391553.db2.gz FDMJRGGSVBXCJK-UHFFFAOYSA-N 0 3 243.698 0.333 40 0 BCABHN Cc1cnc(N2CCNCC2)nc1Cl ZINC000072203414 132396532 /nfs/dbraw/zinc/39/65/32/132396532.db2.gz ATUQCJHGLIMDQM-UHFFFAOYSA-N 0 3 212.684 0.848 40 0 BCABHN CCOC[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261538307 135175480 /nfs/dbraw/zinc/17/54/80/135175480.db2.gz XRDUYFRXQDASSA-IUCAKERBSA-N 0 3 200.282 0.219 40 0 BCABHN CN1CCN(C(=O)CN2CCCCC2)CC1 ZINC000074693549 135390723 /nfs/dbraw/zinc/39/07/23/135390723.db2.gz WTRFOKVBFWTENW-UHFFFAOYSA-N 0 3 225.336 0.246 40 0 BCABHN CC(C)CNC(=O)[C@H]1C[C@@H]2CNC[C@H]1O2 ZINC000096252957 166996520 /nfs/dbraw/zinc/99/65/20/166996520.db2.gz DWQWEVMGUVVGFT-KXUCPTDWSA-N 0 3 212.293 0.136 40 0 BCABHN CC1(COc2ccc(CN)cn2)COC1 ZINC000098214159 168051417 /nfs/dbraw/zinc/05/14/17/168051417.db2.gz BLJDXWZDPCHNLM-UHFFFAOYSA-N 0 3 208.261 0.956 40 0 BCABHN CCOC(=O)C1(S(=O)(=O)CC)CCNCC1 ZINC000217928947 170191606 /nfs/dbraw/zinc/19/16/06/170191606.db2.gz PAGYFKHRHIHNKK-UHFFFAOYSA-N 0 3 249.332 0.106 40 0 BCABHN CCOC(=O)CNC(=O)[C@@H](N)CC(C)C ZINC000002556619 170222938 /nfs/dbraw/zinc/22/29/38/170222938.db2.gz PMKXAKKWRBOEIC-QMMMGPOBSA-N 0 3 216.281 0.039 40 0 BCABHN CCOC(CNc1cc(N)nc(C)n1)OCC ZINC000409427914 411709607 /nfs/dbraw/zinc/70/96/07/411709607.db2.gz CXFQKASKNDLARA-UHFFFAOYSA-N 0 3 240.307 1.178 40 0 BCABHN CN1CCC(Nc2ccc(=O)[nH]n2)CC1 ZINC000409431382 412246080 /nfs/dbraw/zinc/24/60/80/412246080.db2.gz QAIQGLQWFBWAJI-UHFFFAOYSA-N 0 3 208.265 0.688 40 0 BCABHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCO)C1 ZINC000079407855 172325529 /nfs/dbraw/zinc/32/55/29/172325529.db2.gz GSAYLPAXDXBYGG-SNVBAGLBSA-N 0 3 244.335 0.920 40 0 BCABHN CN1CCC[C@H](N(C(=O)CN)C2CC2)C1 ZINC000079407034 173044713 /nfs/dbraw/zinc/04/47/13/173044713.db2.gz FOVDHTDXRIUBJD-JTQLQIEISA-N 0 3 211.309 0.030 40 0 BCABHN CN1CCN(C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2O)CC1 ZINC000019864903 173084966 /nfs/dbraw/zinc/08/49/66/173084966.db2.gz IDFLGISJMLVIIA-XQHKEYJVSA-N 0 3 224.348 0.641 40 0 BCABHN CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247721658 173139079 /nfs/dbraw/zinc/13/90/79/173139079.db2.gz BHDHXAFKJSXGOP-DGCLKSJQSA-N 0 3 238.331 0.720 40 0 BCABHN CN1C[C@H]2CN(CC3CC3)CCN2C1=O ZINC000077266807 173197009 /nfs/dbraw/zinc/19/70/09/173197009.db2.gz QVRJGXUFQCKIBZ-JTQLQIEISA-N 0 3 209.293 0.448 40 0 biogenic,in-vitro BCABHN CN1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253049 173200326 /nfs/dbraw/zinc/20/03/26/173200326.db2.gz OHQCTOFPIPSPAZ-OUAUKWLOSA-N 0 3 224.304 0.232 40 0 BCABHN CNC(=O)[C@@]1(c2cccc(C)n2)CCCN1 ZINC000072344391 173300616 /nfs/dbraw/zinc/30/06/16/173300616.db2.gz XKPAAKHRJXUECP-LBPRGKRZSA-N 0 3 219.288 0.715 40 0 BCABHN COCC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000069633009 174118834 /nfs/dbraw/zinc/11/88/34/174118834.db2.gz YLZMJTDZPYRBOY-MRVPVSSYSA-N 0 3 200.282 0.219 40 0 BCABHN COCCN1CCC2(CN(c3ncccn3)C2)C1 ZINC000096202479 174304812 /nfs/dbraw/zinc/30/48/12/174304812.db2.gz HVVGWOAIHARJLE-UHFFFAOYSA-N 0 3 248.330 0.635 40 0 BCABHN COCCOc1cc2c(nn1)CCNC2 ZINC000328579573 174367808 /nfs/dbraw/zinc/36/78/08/174367808.db2.gz PKYFXPCMUBSCEM-UHFFFAOYSA-N 0 3 209.249 0.148 40 0 BCABHN COc1cc([C@@H](N)CO)cc(OC)c1OC ZINC000038124682 175014221 /nfs/dbraw/zinc/01/42/21/175014221.db2.gz MEKREUQWGLLGPM-QMMMGPOBSA-N 0 3 227.260 0.705 40 0 BCABHN COc1ccccc1[C@@H]1C[C@@H](N)C(=O)N1 ZINC000218688034 175348338 /nfs/dbraw/zinc/34/83/38/175348338.db2.gz MZEXRQYTWQXKJH-BDAKNGLRSA-N 0 3 206.245 0.584 40 0 BCABHN C[C@@H]1CN(C(=O)CNC2CC2)C[C@@H](C)O1 ZINC000037395116 176247578 /nfs/dbraw/zinc/24/75/78/176247578.db2.gz LIFTYMUAXDUXDF-RKDXNWHRSA-N 0 3 212.293 0.374 40 0 BCABHN C[C@H]1CCC[C@H](C(=O)N2CCOCC2)N1 ZINC000019508998 177129373 /nfs/dbraw/zinc/12/93/73/177129373.db2.gz JAMLLYGTOFUBRU-VHSXEESVSA-N 0 3 212.293 0.376 40 0 BCABHN C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]12NC(=O)[N-]C2=O ZINC000033326409 177388122 /nfs/dbraw/zinc/38/81/22/177388122.db2.gz PTZHSPUSMKLXAU-FWWHASMVSA-N 0 3 211.265 0.765 40 0 BCABHN C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]12NC(=O)[N-]C2=O ZINC000033326409 177388123 /nfs/dbraw/zinc/38/81/23/177388123.db2.gz PTZHSPUSMKLXAU-FWWHASMVSA-N 0 3 211.265 0.765 40 0 BCABHN CN1CC[C@H](O)[C@@H](Cc2cccnc2)C1 ZINC000169975264 487793993 /nfs/dbraw/zinc/79/39/93/487793993.db2.gz NTKKSPNSFJHPJY-RYUDHWBXSA-N 0 3 206.289 0.937 40 0 BCABHN c1ccc(O[C@H]2CCOC3(CNC3)C2)nc1 ZINC000253596848 526487970 /nfs/dbraw/zinc/48/79/70/526487970.db2.gz WLDHTDCESDDMFM-JTQLQIEISA-N 0 3 220.272 0.981 40 0 BCABHN Cc1cn(C(=O)C2CC2)c(CN)c(C)c1=O ZINC000725328039 710755714 /nfs/dbraw/zinc/75/57/14/710755714.db2.gz MXKLWJXJRVFBAC-UHFFFAOYSA-N 0 3 220.272 0.974 40 0 BCABHN Cc1cc(CNC[C@H]2CCCO2)n(C)n1 ZINC000041050860 178024300 /nfs/dbraw/zinc/02/43/00/178024300.db2.gz ZVDIJBIQYCWUAI-LLVKDONJSA-N 0 3 209.293 0.997 40 0 BCABHN Cc1cc(=O)[nH]c([C@H]2CCCN(CCO)C2)n1 ZINC000072356875 178202689 /nfs/dbraw/zinc/20/26/89/178202689.db2.gz XCRJZTWRLDPHRJ-JTQLQIEISA-N 0 3 237.303 0.662 40 0 BCABHN CC(C)(C)OC(=O)NCCCC[C@@H](N)C(N)=O ZINC000001643530 342706765 /nfs/dbraw/zinc/70/67/65/342706765.db2.gz MYJDOZLWSJZLJY-MRVPVSSYSA-N 0 3 245.323 0.494 40 0 BCABHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N ZINC000002572696 342725070 /nfs/dbraw/zinc/72/50/70/342725070.db2.gz YXRMSKDLRGNVGS-YUMQZZPRSA-N 0 3 216.281 0.038 40 0 BCABHN c1cncc(-c2cnc(N3CCNCC3)nc2)c1 ZINC000147495882 342776844 /nfs/dbraw/zinc/77/68/44/342776844.db2.gz YBRQRQVMNONDEB-UHFFFAOYSA-N 0 3 241.298 0.948 40 0 BCABHN COC(=O)c1cnc(N2CCNCC2)c(C)c1 ZINC000072222525 259320177 /nfs/dbraw/zinc/32/01/77/259320177.db2.gz NYUWNFDCRVMVGA-UHFFFAOYSA-N 0 3 235.287 0.586 40 0 BCABHN COC(=O)[C@@H](C)CN1CCSCC1 ZINC000035759488 342892853 /nfs/dbraw/zinc/89/28/53/342892853.db2.gz ZXPXWACZCHKIHJ-QMMMGPOBSA-N 0 3 203.307 0.844 40 0 BCABHN COC(=O)[C@H]1CN(C(C)C)CC[C@@H]1O ZINC000259510440 343129622 /nfs/dbraw/zinc/12/96/22/343129622.db2.gz BYDDANVFDJIXNR-IUCAKERBSA-N 0 3 201.266 0.251 40 0 BCABHN COC(=O)[C@@H](C)CNCc1ccccn1 ZINC000035133522 343286198 /nfs/dbraw/zinc/28/61/98/343286198.db2.gz QMNYSGBLPGDYEY-VIFPVBQESA-N 0 3 208.261 0.980 40 0 BCABHN CCN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000095096499 346932609 /nfs/dbraw/zinc/93/26/09/346932609.db2.gz DNIQSYZEBGCNGC-JTQLQIEISA-N 0 3 209.297 0.394 40 0 BCABHN C[C@H](N)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805430 343319497 /nfs/dbraw/zinc/31/94/97/343319497.db2.gz UQLCBSQHTZHYFG-QMMMGPOBSA-N 0 3 236.271 0.421 40 0 BCABHN Cc1c(CNC[C@@H]2CCCO2)cnn1C ZINC000037927504 343361000 /nfs/dbraw/zinc/36/10/00/343361000.db2.gz JKGAERXZZFZPSG-NSHDSACASA-N 0 3 209.293 0.997 40 0 BCABHN CCN(CC)CCn1cccc(N)c1=O ZINC000050445504 259369965 /nfs/dbraw/zinc/36/99/65/259369965.db2.gz WZHJCRQYLBBAJG-UHFFFAOYSA-N 0 3 209.293 0.772 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000309519679 343790771 /nfs/dbraw/zinc/79/07/71/343790771.db2.gz SXVMOIGTRBRRAS-YUMQZZPRSA-N 0 3 218.247 0.710 40 0 BCABHN CCOC[C@@H]1CCCCN1C(=O)CNC ZINC000313243366 343791112 /nfs/dbraw/zinc/79/11/12/343791112.db2.gz HJKVIOJKIPDFBV-JTQLQIEISA-N 0 3 214.309 0.623 40 0 BCABHN CCCN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339418622 343791446 /nfs/dbraw/zinc/79/14/46/343791446.db2.gz FHYZHXHOYYSVRZ-LLVKDONJSA-N 0 3 224.308 0.817 40 0 BCABHN CC1(COc2cnccc2CN)COC1 ZINC000231562697 343794209 /nfs/dbraw/zinc/79/42/09/343794209.db2.gz VFQUPVHINRDOTM-UHFFFAOYSA-N 0 3 208.261 0.956 40 0 BCABHN C[C@@H](C(=O)N1CC(N)C1)c1ccccc1 ZINC000235090218 343794935 /nfs/dbraw/zinc/79/49/35/343794935.db2.gz DORHCOUHXKJEBP-SECBINFHSA-N 0 3 204.273 0.960 40 0 BCABHN Cc1nc(C)c(C(=O)N2CC(N)C2)s1 ZINC000235952487 343795339 /nfs/dbraw/zinc/79/53/39/343795339.db2.gz GLSJWZLAJOIILE-UHFFFAOYSA-N 0 3 211.290 0.543 40 0 BCABHN CNCC(=O)N1CCC2(CCCCO2)CC1 ZINC000409426504 343798067 /nfs/dbraw/zinc/79/80/67/343798067.db2.gz IILAYELFEHIPOZ-UHFFFAOYSA-N 0 3 226.320 0.768 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@@H]2COC[C@H]2C1 ZINC000409426693 343798317 /nfs/dbraw/zinc/79/83/17/343798317.db2.gz INOZVLIZBYTUDW-UTUOFQBUSA-N 0 3 238.331 0.623 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@H]2COC[C@@H]2C1 ZINC000409426688 343798337 /nfs/dbraw/zinc/79/83/37/343798337.db2.gz INOZVLIZBYTUDW-SRVKXCTJSA-N 0 3 238.331 0.623 40 0 BCABHN COC[C@H]1CN(C(=O)[C@H](C)N)CC12CCCC2 ZINC000409426570 343798435 /nfs/dbraw/zinc/79/84/35/343798435.db2.gz CKDQBBOQKCJTEQ-WDEREUQCSA-N 0 3 240.347 0.999 40 0 BCABHN Cn1ccc(C2CCN(C(=O)CN)CC2)n1 ZINC000409426834 343799051 /nfs/dbraw/zinc/79/90/51/343799051.db2.gz IUSNBQHLNDODIX-UHFFFAOYSA-N 0 3 222.292 0.085 40 0 BCABHN CCN(C(=O)[C@@H](C)N)[C@@H]1CCSC1 ZINC000409427334 343800541 /nfs/dbraw/zinc/80/05/41/343800541.db2.gz DUHWOOHXMPBBFD-HTQZYQBOSA-N 0 3 202.323 0.688 40 0 BCABHN N=C(CN1CC[C@@]2(C1)CCCCO2)NO ZINC000409428352 343803230 /nfs/dbraw/zinc/80/32/30/343803230.db2.gz MFZSNOGBEDKPSH-SNVBAGLBSA-N 0 3 213.281 0.587 40 0 BCABHN COC[C@@H]1CN(CCO)C[C@@H]1C(F)(F)F ZINC000409427443 343801286 /nfs/dbraw/zinc/80/12/86/343801286.db2.gz FGCUVEBBVUAAKL-YUMQZZPRSA-N 0 3 227.226 0.735 40 0 BCABHN O=C1N(C2CC2)CCO[C@]12CCCNC2 ZINC000409427648 343801677 /nfs/dbraw/zinc/80/16/77/343801677.db2.gz WVKLEPROTCJUQG-NSHDSACASA-N 0 3 210.277 0.130 40 0 BCABHN Cn1nc(C2CCCC2)n(C2CNC2)c1=O ZINC000409427686 343801682 /nfs/dbraw/zinc/80/16/82/343801682.db2.gz XGINUVIVFUMYKW-UHFFFAOYSA-N 0 3 222.292 0.384 40 0 BCABHN CC(C)C[C@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409427751 343801767 /nfs/dbraw/zinc/80/17/67/343801767.db2.gz FHJHSVZPBVKVDE-VHSXEESVSA-N 0 3 229.324 0.671 40 0 BCABHN Cc1n[nH]c(C)c1CCC(=O)N1CC(N)C1 ZINC000409422149 343812880 /nfs/dbraw/zinc/81/28/80/343812880.db2.gz BIYYQFZTQIINFP-UHFFFAOYSA-N 0 3 222.292 0.129 40 0 BCABHN O=C([C@H]1C[C@@H](F)CN1)N1CCCCC1 ZINC000409422391 343813426 /nfs/dbraw/zinc/81/34/26/343813426.db2.gz DNLOQEUPNXEYLE-RKDXNWHRSA-N 0 3 200.257 0.699 40 0 BCABHN CCCN1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422524 343813871 /nfs/dbraw/zinc/81/38/71/343813871.db2.gz HWSPCANYLIKTTN-BDAKNGLRSA-N 0 3 201.266 0.252 40 0 BCABHN CCCCN1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422896 343814219 /nfs/dbraw/zinc/81/42/19/343814219.db2.gz LZWGYLDPMNNKHF-UWVGGRQHSA-N 0 3 215.293 0.642 40 0 BCABHN NC1CN(C(=O)c2ccc(Cl)nc2)C1 ZINC000409423191 343814825 /nfs/dbraw/zinc/81/48/25/343814825.db2.gz LYQHKCBYTYUIFI-UHFFFAOYSA-N 0 3 211.652 0.518 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1C ZINC000409423796 343816291 /nfs/dbraw/zinc/81/62/91/343816291.db2.gz ALPBTZBSCQIHOV-WOPDTQHZSA-N 0 3 240.347 0.869 40 0 BCABHN O=C([C@H]1CCCCN1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409425487 343819199 /nfs/dbraw/zinc/81/91/99/343819199.db2.gz GDXZMHHPUWMZLH-OUAUKWLOSA-N 0 3 224.304 0.233 40 0 BCABHN CC(C)c1nn(CC(F)F)c(=O)n1C1CNC1 ZINC000409425723 343820561 /nfs/dbraw/zinc/82/05/61/343820561.db2.gz MQHVQNOXTZDXLJ-UHFFFAOYSA-N 0 3 246.261 0.578 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@H](C(F)F)C1 ZINC000409431833 343822799 /nfs/dbraw/zinc/82/27/99/343822799.db2.gz TUVQUASXTSFLTB-RQJHMYQMSA-N 0 3 206.236 0.837 40 0 BCABHN CCO[C@H]1CN(CC(=N)NO)C[C@@H]1OCC ZINC000409432422 343826237 /nfs/dbraw/zinc/82/62/37/343826237.db2.gz LHYRJTDAYYRYNA-IUCAKERBSA-N 0 3 231.296 0.068 40 0 BCABHN CCO[C@@H]1CN(CC(=N)NO)C[C@H]1OCC ZINC000409432423 343826612 /nfs/dbraw/zinc/82/66/12/343826612.db2.gz LHYRJTDAYYRYNA-RKDXNWHRSA-N 0 3 231.296 0.068 40 0 BCABHN CCOC[C@H]1CCCN1C(=O)[C@@H](C)N ZINC000409433124 343826673 /nfs/dbraw/zinc/82/66/73/343826673.db2.gz XLBOSNDOIKATFI-RKDXNWHRSA-N 0 3 200.282 0.361 40 0 BCABHN CCOC[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000409433122 343826677 /nfs/dbraw/zinc/82/66/77/343826677.db2.gz XLBOSNDOIKATFI-IUCAKERBSA-N 0 3 200.282 0.361 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@@]2(C1)CCCCO2 ZINC000409430774 343809051 /nfs/dbraw/zinc/80/90/51/343809051.db2.gz RERYHXKSLBHTJE-GXSJLCMTSA-N 0 3 212.293 0.505 40 0 BCABHN COC[C@@]12CN(C(=O)[C@H](C)N)C[C@@H]1CCCC2 ZINC000409430857 343809100 /nfs/dbraw/zinc/80/91/00/343809100.db2.gz JFNNQWOSXKWIGE-GMXVVIOVSA-N 0 3 240.347 0.999 40 0 BCABHN COC[C@@H]1CCCCN1CC(=N)NO ZINC000396053036 343810755 /nfs/dbraw/zinc/81/07/55/343810755.db2.gz CTMBXOWDDNVMTJ-QMMMGPOBSA-N 0 3 201.270 0.443 40 0 BCABHN COC[C@H]1CN(C(=O)CN)CC12CCC2 ZINC000409432996 343828624 /nfs/dbraw/zinc/82/86/24/343828624.db2.gz MAHVRARKXIMSGB-SECBINFHSA-N 0 3 212.293 0.220 40 0 BCABHN CNCC(=O)N1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409435175 343832671 /nfs/dbraw/zinc/83/26/71/343832671.db2.gz SSQKYDFJBSJJNR-QWRGUYRKSA-N 0 3 226.320 0.623 40 0 BCABHN COC[C@]12CCC[C@H]1CN(C(=O)CN)C2 ZINC000409435355 343833146 /nfs/dbraw/zinc/83/31/46/343833146.db2.gz UGIHQTGOYGXKFX-GXSJLCMTSA-N 0 3 212.293 0.220 40 0 BCABHN CCOC[C@H]1CN(C(=O)CN)C[C@@H]1C ZINC000409435665 343834970 /nfs/dbraw/zinc/83/49/70/343834970.db2.gz WCENHHVLZGMUGX-DTWKUNHWSA-N 0 3 200.282 0.076 40 0 BCABHN CCC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@H]1O ZINC000409434711 343835063 /nfs/dbraw/zinc/83/50/63/343835063.db2.gz QGIDWYPIGCZRRY-IVZWLZJFSA-N 0 3 214.309 0.343 40 0 BCABHN CCN(C(=O)[C@@H](C)N)C1CCOCC1 ZINC000409434982 343835593 /nfs/dbraw/zinc/83/55/93/343835593.db2.gz RSUIFUHAISSIKW-MRVPVSSYSA-N 0 3 200.282 0.361 40 0 BCABHN CCN(C(=O)[C@H](C)N)C1CCOCC1 ZINC000409434983 343835792 /nfs/dbraw/zinc/83/57/92/343835792.db2.gz RSUIFUHAISSIKW-QMMMGPOBSA-N 0 3 200.282 0.361 40 0 BCABHN CCC[C@@H]1CN(C(=O)CNC)CC[C@H]1O ZINC000409436091 343837183 /nfs/dbraw/zinc/83/71/83/343837183.db2.gz YBDHIBKMWUWRBH-NXEZZACHSA-N 0 3 214.309 0.215 40 0 BCABHN COC[C@]12CCC[C@H]1CN(CC(=N)NO)C2 ZINC000409436100 343837302 /nfs/dbraw/zinc/83/73/02/343837302.db2.gz YDMDOMSCZVRWKO-GXSJLCMTSA-N 0 3 227.308 0.691 40 0 BCABHN CNCC(=O)N1CCc2ccc(COC)cc21 ZINC000409435691 343839406 /nfs/dbraw/zinc/83/94/06/343839406.db2.gz WELFXAGIECYLTO-UHFFFAOYSA-N 0 3 234.299 0.942 40 0 BCABHN c1cnc(-c2n[nH]c3c2CNCC3)cn1 ZINC000409439144 343846315 /nfs/dbraw/zinc/84/63/15/343846315.db2.gz NVOLLILMWBWAMK-UHFFFAOYSA-N 0 3 201.233 0.512 40 0 BCABHN c1csc(-c2cn(C3CNC3)nn2)n1 ZINC000409437776 343849034 /nfs/dbraw/zinc/84/90/34/343849034.db2.gz BFWYEXPAWAULJM-UHFFFAOYSA-N 0 3 207.262 0.546 40 0 BCABHN CNCc1cc(-c2cnccn2)nn1C ZINC000409443527 343867551 /nfs/dbraw/zinc/86/75/51/343867551.db2.gz ORFBXDYUPIQCLS-UHFFFAOYSA-N 0 3 203.249 0.597 40 0 BCABHN NCC(F)(CN)Cc1ccc(F)cc1 ZINC000585142272 344174875 /nfs/dbraw/zinc/17/48/75/344174875.db2.gz SVBFAVUOIURXSK-UHFFFAOYSA-N 0 3 200.232 0.994 40 0 BCABHN CNc1cc(N2CCNCC2)nc(C2CC2)n1 ZINC000127235364 345166622 /nfs/dbraw/zinc/16/66/22/345166622.db2.gz KWFNSLGCASOWSK-UHFFFAOYSA-N 0 3 233.319 0.805 40 0 BCABHN O=S(=O)(NC1CNC1)C1CCCCC1 ZINC000085256429 345929281 /nfs/dbraw/zinc/92/92/81/345929281.db2.gz MCJOKGYETQYTNQ-UHFFFAOYSA-N 0 3 218.322 0.210 40 0 BCABHN Cc1nc(-c2cnn(C)c2)nc2c1CNCC2 ZINC000096253938 179870749 /nfs/dbraw/zinc/87/07/49/179870749.db2.gz OYODUXGYBUXJGC-UHFFFAOYSA-N 0 3 229.287 0.831 40 0 BCABHN Cc1nc([C@@H]2CCCCN2C(=O)CN)no1 ZINC000072383394 180043513 /nfs/dbraw/zinc/04/35/13/180043513.db2.gz GKLBVAUJFJCPIC-QMMMGPOBSA-N 0 3 224.264 0.390 40 0 BCABHN Cc1cc(-c2cc(CN)nc(C)n2)nn1C ZINC000074109586 350238586 /nfs/dbraw/zinc/23/85/86/350238586.db2.gz OPWCQDKPEYYEQT-UHFFFAOYSA-N 0 3 217.276 0.953 40 0 BCABHN CSCC[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000040458653 350365741 /nfs/dbraw/zinc/36/57/41/350365741.db2.gz LIHPVZVAIPMQTO-BDAKNGLRSA-N 0 3 232.349 0.362 40 0 BCABHN CC(C)n1nc(C2CC2)n(C2CNC2)c1=O ZINC000409423170 350474878 /nfs/dbraw/zinc/47/48/78/350474878.db2.gz AKLLAFLGXQJSMP-UHFFFAOYSA-N 0 3 222.292 0.647 40 0 BCABHN O=C([C@@H]1C[C@H](F)CN1)N1CCSCC1 ZINC000409422992 350475141 /nfs/dbraw/zinc/47/51/41/350475141.db2.gz KLSNDIIVERIZLG-YUMQZZPRSA-N 0 3 218.297 0.262 40 0 BCABHN NC(=O)[C@@]1(N)CCN(Cc2ccccc2)C1 ZINC000037870583 181275707 /nfs/dbraw/zinc/27/57/07/181275707.db2.gz UWRFQTAIEVIVDY-GFCCVEGCSA-N 0 3 219.288 0.075 40 0 BCABHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C)CC1 ZINC000019504598 356483905 /nfs/dbraw/zinc/48/39/05/356483905.db2.gz IQHLYENUVUMFMI-NXEZZACHSA-N 0 3 213.325 0.134 40 0 BCABHN Cn1cc(CNCCCN2CCOCC2)cn1 ZINC000020141975 357339908 /nfs/dbraw/zinc/33/99/08/357339908.db2.gz QKQDGTJSSWTIJX-UHFFFAOYSA-N 0 3 238.335 0.232 40 0 BCABHN CCNc1ncc(CN[C@@H](CC)CO)cn1 ZINC000062717525 259521824 /nfs/dbraw/zinc/52/18/24/259521824.db2.gz YTFZXUWBTAWDNG-JTQLQIEISA-N 0 3 224.308 0.769 40 0 BCABHN NCC(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805393 181354138 /nfs/dbraw/zinc/35/41/38/181354138.db2.gz MFEIPFGBIDUAGF-UHFFFAOYSA-N 0 3 222.244 0.033 40 0 BCABHN CSCC[C@H](N)C(=O)NCc1ccccn1 ZINC000011754939 370749290 /nfs/dbraw/zinc/74/92/90/370749290.db2.gz NLQNZUXYJUQBOT-JTQLQIEISA-N 0 3 239.344 0.778 40 0 BCABHN NCC1(CNC(=O)c2ccccc2)OCCO1 ZINC000001722915 181359480 /nfs/dbraw/zinc/35/94/80/181359480.db2.gz LXIQTHTYAVZPOV-UHFFFAOYSA-N 0 3 236.271 0.118 40 0 BCABHN Cc1noc([C@@]2(C)CCCN(C(=O)CN)C2)n1 ZINC000205674974 368356388 /nfs/dbraw/zinc/35/63/88/368356388.db2.gz JHODCUDAFMQESB-NSHDSACASA-N 0 3 238.291 0.217 40 0 BCABHN O=C(NCC1CC1)[C@H]1C[C@H]2NCCO[C@H]2C1 ZINC000096251671 182140042 /nfs/dbraw/zinc/14/00/42/182140042.db2.gz RCKMTFSKINEAFY-AXFHLTTASA-N 0 3 224.304 0.280 40 0 BCABHN O=c1c2c(nc3ccc(Cl)cn31)CCNC2 ZINC000082301781 182986231 /nfs/dbraw/zinc/98/62/31/182986231.db2.gz WGSGOGHHVJBHJB-UHFFFAOYSA-N 0 3 235.674 0.994 40 0 BCABHN O[C@H]1CN(Cc2cnc[nH]2)CC[C@@]12CCCO2 ZINC000257322606 183243860 /nfs/dbraw/zinc/24/38/60/183243860.db2.gz WGRFSVMVXTVSTH-RYUDHWBXSA-N 0 3 237.303 0.526 40 0 BCABHN c1nnn2c1CO[C@@H](CNCc1ccncc1)C2 ZINC000096061001 183351745 /nfs/dbraw/zinc/35/17/45/183351745.db2.gz NJWQATVYHHTYJW-LBPRGKRZSA-N 0 3 245.286 0.362 40 0 BCABHN c1cc2c(cc1[C@@H]1CNCCN1)OCCO2 ZINC000096305481 183370572 /nfs/dbraw/zinc/37/05/72/183370572.db2.gz NEEQQZVUUVBFBR-JTQLQIEISA-N 0 3 220.272 0.692 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409435287 383836431 /nfs/dbraw/zinc/83/64/31/383836431.db2.gz UBMISYHOOJPEQI-QWRGUYRKSA-N 0 3 240.347 0.735 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409433899 383829687 /nfs/dbraw/zinc/82/96/87/383829687.db2.gz NSNOXNVOGWTPFW-GDPRMGEGSA-N 0 3 226.320 0.343 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1C ZINC000409434149 383830374 /nfs/dbraw/zinc/83/03/74/383830374.db2.gz OIACXDACAVHDLX-UTLUCORTSA-N 0 3 214.309 0.465 40 0 BCABHN CN(C)C[C@H]1CC(=O)[C@H](CN(C)C)CC1=O ZINC000001717766 383928668 /nfs/dbraw/zinc/92/86/68/383928668.db2.gz QINBNIQHVSHFQT-AOOOYVTPSA-N 0 3 226.320 0.274 40 0 BCABHN NCCS(=O)(=O)Cc1ccccc1F ZINC000036720670 383906304 /nfs/dbraw/zinc/90/63/04/383906304.db2.gz ATAIIUMIPURRMC-UHFFFAOYSA-N 0 3 217.265 0.699 40 0 BCABHN COC[C@H]1CCCN1C(=O)[C@@H](N)C(C)C ZINC000079392052 384133596 /nfs/dbraw/zinc/13/35/96/384133596.db2.gz PBHXFQGVMCWVKG-ZJUUUORDSA-N 0 3 214.309 0.607 40 0 BCABHN CCN(C[C@H]1CCCCN1C)C(=O)CN ZINC000079406897 384136352 /nfs/dbraw/zinc/13/63/52/384136352.db2.gz YCZVNHOWVMQCME-SNVBAGLBSA-N 0 3 213.325 0.278 40 0 BCABHN CC(C)N(C[C@@H]1CCCCN1C)C(=O)CN ZINC000079406965 384136435 /nfs/dbraw/zinc/13/64/35/384136435.db2.gz FTAVDGTUWKRVMD-NSHDSACASA-N 0 3 227.352 0.666 40 0 BCABHN C[C@H](N)C(=O)NCc1ccc(Cl)nn1 ZINC000079435863 384146711 /nfs/dbraw/zinc/14/67/11/384146711.db2.gz VVGLUORTCVTVIP-YFKPBYRVSA-N 0 3 214.656 0.093 40 0 BCABHN COc1nccnc1CNC(=O)[C@@H](N)C(C)C ZINC000079435757 384146786 /nfs/dbraw/zinc/14/67/86/384146786.db2.gz ZUENCRWCNWYNCY-VIFPVBQESA-N 0 3 238.291 0.085 40 0 BCABHN C[C@H](N)C(=O)N(C)Cc1nccnc1Cl ZINC000079435769 384146874 /nfs/dbraw/zinc/14/68/74/384146874.db2.gz WKCLDOMBFZEGEE-LURJTMIESA-N 0 3 228.683 0.436 40 0 BCABHN CCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079417334 384139078 /nfs/dbraw/zinc/13/90/78/384139078.db2.gz CGDQNLXSRHEOBQ-QWRGUYRKSA-N 0 3 241.335 0.241 40 0 BCABHN CC(=O)N(C[C@@H]1CCCCN1CCO)C1CC1 ZINC000079416586 384139117 /nfs/dbraw/zinc/13/91/17/384139117.db2.gz ZSVNYWPQJFUGBS-ZDUSSCGKSA-N 0 3 240.347 0.844 40 0 BCABHN CCN(C[C@@H]1CCCN1CCO)C(C)=O ZINC000079416418 384139404 /nfs/dbraw/zinc/13/94/04/384139404.db2.gz ZSFKYZAOEDOESY-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN CCN(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)=O ZINC000079417608 384139652 /nfs/dbraw/zinc/13/96/52/384139652.db2.gz YVTDCFFBOYIVEJ-ONGXEEELSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C[C@H]1CCCN1C(=O)CN)C(C)C ZINC000079417355 384139664 /nfs/dbraw/zinc/13/96/64/384139664.db2.gz MZLVFFVVKUZUBT-LLVKDONJSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079417592 384139797 /nfs/dbraw/zinc/13/97/97/384139797.db2.gz OVAZKZOJRVKSQT-LSJOCFKGSA-N 0 3 241.335 0.239 40 0 BCABHN CC(=O)N(C1CC1)[C@@H]1CCN(CCO)C1 ZINC000079416553 384140397 /nfs/dbraw/zinc/14/03/97/384140397.db2.gz PXVPWQBQOYDPGT-LLVKDONJSA-N 0 3 212.293 0.064 40 0 BCABHN CN(C1CC1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079419790 384142711 /nfs/dbraw/zinc/14/27/11/384142711.db2.gz PFCWTHCCPNDPSX-UHFFFAOYSA-N 0 3 212.293 0.630 40 0 BCABHN CC(C)(C)OC(=O)[C@@H](N)[C@H]1CCCCN1 ZINC000071605955 384173718 /nfs/dbraw/zinc/17/37/18/384173718.db2.gz CCCVEWRCGHNEHF-BDAKNGLRSA-N 0 3 214.309 0.798 40 0 BCABHN NC[C@@H](c1ccccc1)n1ncccc1=O ZINC000095908444 384405502 /nfs/dbraw/zinc/40/55/02/384405502.db2.gz CZIRJIMJHOLYEA-NSHDSACASA-N 0 3 215.256 0.791 40 0 BCABHN C[C@@H]1NCCn2c(CN3CCN(C)CC3)cnc21 ZINC000107491956 384391477 /nfs/dbraw/zinc/39/14/77/384391477.db2.gz LQOVAJRHXRWKIQ-NSHDSACASA-N 0 3 249.362 0.295 40 0 BCABHN O=C1C[C@H]2[C@H](CCN2Cc2ccoc2)N1 ZINC000096245675 384445412 /nfs/dbraw/zinc/44/54/12/384445412.db2.gz YLTBRRNUFCZPPW-UWVGGRQHSA-N 0 3 206.245 0.742 40 0 BCABHN c1nc(N2CCCC2)nc2c1CNCC2 ZINC000096248530 384446313 /nfs/dbraw/zinc/44/63/13/384446313.db2.gz DMEUFUZHNTUFFK-UHFFFAOYSA-N 0 3 204.277 0.723 40 0 BCABHN O=C1NCC[C@H]2CN(Cc3ccoc3)C[C@@H]12 ZINC000096094270 384434647 /nfs/dbraw/zinc/43/46/47/384434647.db2.gz QNPGOMXWJYATHN-WDEREUQCSA-N 0 3 220.272 0.848 40 0 BCABHN Cc1ccc(CNC[C@H]2Cn3nncc3CO2)o1 ZINC000096199124 384443459 /nfs/dbraw/zinc/44/34/59/384443459.db2.gz LLQGTDQYXPGPIB-LBPRGKRZSA-N 0 3 248.286 0.868 40 0 BCABHN NCc1cc(=O)n2nc(-c3ccncc3)cc2[nH]1 ZINC000019405660 384520559 /nfs/dbraw/zinc/52/05/59/384520559.db2.gz RZJRKSCMLNKSMT-UHFFFAOYSA-N 0 3 241.254 0.956 40 0 BCABHN Nc1ccnc(N)c1I ZINC000098175286 384595935 /nfs/dbraw/zinc/59/59/35/384595935.db2.gz SPGLTDWSEKQAJJ-UHFFFAOYSA-N 0 3 235.028 0.851 40 0 BCABHN NCCn1nc2c(cc1=O)CCCCC2 ZINC000082640442 384744735 /nfs/dbraw/zinc/74/47/35/384744735.db2.gz FNYLDMIVHWKGIG-UHFFFAOYSA-N 0 3 207.277 0.471 40 0 BCABHN COc1ccc([C@H](N)c2nnc[nH]2)cc1 ZINC000083746249 384858134 /nfs/dbraw/zinc/85/81/34/384858134.db2.gz UNIAMHRLIUGVSK-VIFPVBQESA-N 0 3 204.233 0.861 40 0 BCABHN O=C1C[C@@H]2[C@@H](CCN2Cc2ccoc2)N1 ZINC000107251389 384959342 /nfs/dbraw/zinc/95/93/42/384959342.db2.gz YLTBRRNUFCZPPW-NXEZZACHSA-N 0 3 206.245 0.742 40 0 BCABHN Cc1cc(N2CCNCC2)ncc1[C@@H](C)O ZINC000072223575 385112633 /nfs/dbraw/zinc/11/26/33/385112633.db2.gz XVUCKJJFUVHIBJ-SNVBAGLBSA-N 0 3 221.304 0.853 40 0 BCABHN CCc1cc(N2CCNCC2)n2ncnc2n1 ZINC000096515936 385257743 /nfs/dbraw/zinc/25/77/43/385257743.db2.gz WRRIVHLFUFMNAD-UHFFFAOYSA-N 0 3 232.291 0.096 40 0 BCABHN COc1ncc([C@H](CN)N2CCCCC2)cn1 ZINC000096511159 385249342 /nfs/dbraw/zinc/24/93/42/385249342.db2.gz PAAMYHRUVJPLBO-NSHDSACASA-N 0 3 236.319 0.971 40 0 BCABHN CCc1cc(=O)[n-]c(N2CCC[C@H]([NH3+])C2)n1 ZINC000096516700 385262338 /nfs/dbraw/zinc/26/23/38/385262338.db2.gz BZSXGHXMPRNUDA-QMMMGPOBSA-N 0 3 222.292 0.260 40 0 BCABHN COC[C@@H]1C[C@H](C)[C@](CN)(S(C)(=O)=O)C1 ZINC000096532327 385282992 /nfs/dbraw/zinc/28/29/92/385282992.db2.gz CAVMLOLVHFUYAP-AEJSXWLSSA-N 0 3 235.349 0.421 40 0 BCABHN COC[C@H]1CCCCN1C(=O)[C@@H](C)N ZINC000211675739 385323349 /nfs/dbraw/zinc/32/33/49/385323349.db2.gz HLUQYDXJLLJZAV-RKDXNWHRSA-N 0 3 200.282 0.361 40 0 BCABHN C[C@@H](O)[C@@H]1CCCN(CC(=N)NO)C1 ZINC000409431061 385330243 /nfs/dbraw/zinc/33/02/43/385330243.db2.gz RPFQNNLYRYPHBG-HTQZYQBOSA-N 0 3 201.270 0.035 40 0 BCABHN COC(=O)c1ccc(OC2CNC2)nc1 ZINC000397006319 385330484 /nfs/dbraw/zinc/33/04/84/385330484.db2.gz SHVYQHZPJDXIJL-UHFFFAOYSA-N 0 3 208.217 0.219 40 0 BCABHN O=c1[nH]c(COC2CNC2)nc2ccccc21 ZINC000236423170 385325679 /nfs/dbraw/zinc/32/56/79/385325679.db2.gz IXOFHQYWWCLZPM-UHFFFAOYSA-N 0 3 231.255 0.412 40 0 BCABHN Cc1c[nH]c([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000257304599 385760385 /nfs/dbraw/zinc/76/03/85/385760385.db2.gz SMIZREMUKJDQKA-VIFPVBQESA-N 0 3 222.292 0.383 40 0 BCABHN c1ccc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)nc1 ZINC000306129504 385992904 /nfs/dbraw/zinc/99/29/04/385992904.db2.gz IFHDABULNMSCNP-HOSYDEDBSA-N 0 3 220.272 0.980 40 0 BCABHN NC[C@H]1CCN(c2cccc(F)c2)S1(=O)=O ZINC000222542399 386051512 /nfs/dbraw/zinc/05/15/12/386051512.db2.gz JORXMJOWGXUALQ-SNVBAGLBSA-N 0 3 244.291 0.693 40 0 BCABHN Cc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222540001 386051916 /nfs/dbraw/zinc/05/19/16/386051916.db2.gz DZYDSAURCUZFKX-NSHDSACASA-N 0 3 240.328 0.862 40 0 BCABHN NC[C@H]1CCN(Cc2ccccc2)S1(=O)=O ZINC000222536367 386052446 /nfs/dbraw/zinc/05/24/46/386052446.db2.gz RLACZVXZQXEMDJ-LLVKDONJSA-N 0 3 240.328 0.549 40 0 BCABHN COc1ccc(O[C@H]2COC[C@H]2N)cc1 ZINC000218679965 386264805 /nfs/dbraw/zinc/26/48/05/386264805.db2.gz VXPXAUYNVIDYSV-MNOVXSKESA-N 0 3 209.245 0.800 40 0 BCABHN COC(=O)C[C@@H]1CN[C@H]2CCCC[C@H]2NC1=O ZINC000245227630 386587938 /nfs/dbraw/zinc/58/79/38/386587938.db2.gz LFPMYLXHLRBOCF-KXUCPTDWSA-N 0 3 240.303 0.196 40 0 BCABHN C(O[C@H]1CCOC2(CNC2)C1)C1CCOCC1 ZINC000247919288 386733847 /nfs/dbraw/zinc/73/38/47/386733847.db2.gz BWJMPCWKWAEAJO-LBPRGKRZSA-N 0 3 241.331 0.951 40 0 BCABHN COC[C@@H]1C[C@@H](C)[C@](CN)(S(C)(=O)=O)C1 ZINC000096532325 256645721 /nfs/dbraw/zinc/64/57/21/256645721.db2.gz CAVMLOLVHFUYAP-BBBLOLIVSA-N 0 3 235.349 0.421 40 0 BCABHN CCS(=O)(=O)[C@H](CN)C1CCCC1 ZINC000217770587 388380738 /nfs/dbraw/zinc/38/07/38/388380738.db2.gz PKQVCNKSKVAMHM-SECBINFHSA-N 0 3 205.323 0.939 40 0 BCABHN CCOC[C@]1(CN)C[C@H]1S(=O)(=O)CC ZINC000217969521 388384925 /nfs/dbraw/zinc/38/49/25/388384925.db2.gz AJWWASWDVASUMJ-RKDXNWHRSA-N 0 3 221.322 0.175 40 0 BCABHN NC[C@]1(CO)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217976986 388385078 /nfs/dbraw/zinc/38/50/78/388385078.db2.gz QXNCMDUPYYDHTH-QWRGUYRKSA-N 0 3 241.312 0.170 40 0 BCABHN COc1cccc2c1N(C)C[C@H](N)[C@H]2O ZINC000242701950 388400896 /nfs/dbraw/zinc/40/08/96/388400896.db2.gz WUOISILEUNPSRB-KWQFWETISA-N 0 3 208.261 0.506 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@H](CO)C[C@H]1C ZINC000252515228 388653924 /nfs/dbraw/zinc/65/39/24/388653924.db2.gz HXNBCANTWUXVAR-BBBLOLIVSA-N 0 3 235.349 0.157 40 0 BCABHN CC(C)Nc1ncc(CNC[C@@H](C)O)cn1 ZINC000062717654 388655873 /nfs/dbraw/zinc/65/58/73/388655873.db2.gz VMGWXZQBMNGTET-SECBINFHSA-N 0 3 224.308 0.767 40 0 BCABHN CCNc1ncc(CNCCOC)cn1 ZINC000062717552 388656168 /nfs/dbraw/zinc/65/61/68/388656168.db2.gz ADTLIDIXVXMFSY-UHFFFAOYSA-N 0 3 210.281 0.644 40 0 BCABHN c1cc2c(N3CCNCC3)nccn2n1 ZINC000096516342 132242018 /nfs/dbraw/zinc/24/20/18/132242018.db2.gz WHPGALRUAZOPOJ-UHFFFAOYSA-N 0 3 203.249 0.139 40 0 BCABHN FC(F)(F)c1cnc(N2CCNCC2)nc1 ZINC000009499006 132319412 /nfs/dbraw/zinc/31/94/12/132319412.db2.gz AJPNCKCRSAVLLC-UHFFFAOYSA-N 0 3 232.209 0.905 40 0 BCABHN C[C@H]1CN(c2cc(Cl)ncn2)CCN1 ZINC000072203680 132396281 /nfs/dbraw/zinc/39/62/81/132396281.db2.gz GSBBIOCMYRABTB-ZETCQYMHSA-N 0 3 212.684 0.928 40 0 BCABHN CC1(Cn2cccc(CN)c2=O)COC1 ZINC000095097353 168052552 /nfs/dbraw/zinc/05/25/52/168052552.db2.gz BDODGAJMFOCYJA-UHFFFAOYSA-N 0 3 208.261 0.344 40 0 BCABHN CC1=CC[C@H]2C(=O)N(CCN(C)C)C(=O)[C@H]2C1 ZINC000104388105 168121976 /nfs/dbraw/zinc/12/19/76/168121976.db2.gz SWNTWUKNTCTSEN-MNOVXSKESA-N 0 3 236.315 0.889 40 0 BCABHN CCOC(=O)c1c(C)[n-]nc1[C@H]1CC[NH2+]C1 ZINC000038580625 170289585 /nfs/dbraw/zinc/28/95/85/170289585.db2.gz UZOJYTDKZIVWMZ-QMMMGPOBSA-N 0 3 223.276 0.972 40 0 BCABHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019483711 171370921 /nfs/dbraw/zinc/37/09/21/171370921.db2.gz NIKPPDXTUAZYJI-LPEHRKFASA-N 0 3 214.309 0.655 40 0 BCABHN CCc1nc2c(nnn2[C@H]2CCC[NH2+]C2)c(=O)[n-]1 ZINC000072397452 172001276 /nfs/dbraw/zinc/00/12/76/172001276.db2.gz ZXLRMJGPXQOVBT-ZETCQYMHSA-N 0 3 248.290 0.414 40 0 BCABHN CCc1nnc(NC(=O)[C@@H](C)N)s1 ZINC000082255763 172058327 /nfs/dbraw/zinc/05/83/27/172058327.db2.gz HBSXKZWIGMGGBK-SCSAIBSYSA-N 0 3 200.267 0.386 40 0 BCABHN CN1CCC(c2nnc3n2CCN(C)C3)CC1 ZINC000072352914 173001363 /nfs/dbraw/zinc/00/13/63/173001363.db2.gz HXLQVQOCFWGRDR-UHFFFAOYSA-N 0 3 235.335 0.533 40 0 BCABHN CN1CCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407020 173031204 /nfs/dbraw/zinc/03/12/04/173031204.db2.gz QYHYXKDOOAEMBY-SNVBAGLBSA-N 0 3 211.309 0.030 40 0 BCABHN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C)C2)C1 ZINC000096206180 173140946 /nfs/dbraw/zinc/14/09/46/173140946.db2.gz HRDHYUVZCRXELM-CMPLNLGQSA-N 0 3 241.335 0.511 40 0 BCABHN CN1CC[C@H](c2cc(CCO)ncn2)C1 ZINC000072383153 173155710 /nfs/dbraw/zinc/15/57/10/173155710.db2.gz UINSGVJDOIQFCN-VIFPVBQESA-N 0 3 207.277 0.431 40 0 BCABHN C[N@@H+]1CCc2nc(C3CC3)[n-]c(=O)c2C1 ZINC000139230041 173168896 /nfs/dbraw/zinc/16/88/96/173168896.db2.gz WYSNSCXEDMVTNG-UHFFFAOYSA-N 0 3 205.261 0.635 40 0 BCABHN C[N@H+]1CCc2nc(C3CC3)[n-]c(=O)c2C1 ZINC000139230041 173168898 /nfs/dbraw/zinc/16/88/98/173168898.db2.gz WYSNSCXEDMVTNG-UHFFFAOYSA-N 0 3 205.261 0.635 40 0 BCABHN CNCC(=O)N1CCc2sccc2C1 ZINC000021953446 173328171 /nfs/dbraw/zinc/32/81/71/173328171.db2.gz RKUBVDRCRGUFKE-UHFFFAOYSA-N 0 3 210.302 0.852 40 0 BCABHN COCCCN[C@@H](Cc1ccccc1)C(N)=O ZINC000095942398 174249502 /nfs/dbraw/zinc/24/95/02/174249502.db2.gz GSMOPGKSFGZYPZ-LBPRGKRZSA-N 0 3 236.315 0.709 40 0 BCABHN COCCN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072357036 174307583 /nfs/dbraw/zinc/30/75/83/174307583.db2.gz FAXDCLBJALWOBX-SNVBAGLBSA-N 0 3 236.319 0.885 40 0 BCABHN COCCNC(=O)CC1CCN(C)CC1 ZINC000074920897 174319350 /nfs/dbraw/zinc/31/93/50/174319350.db2.gz JDOVAGZEGQREJG-UHFFFAOYSA-N 0 3 214.309 0.481 40 0 BCABHN COCCNC(=O)[C@H]1CCC[C@H](C)N1 ZINC000019483943 174327163 /nfs/dbraw/zinc/32/71/63/174327163.db2.gz YAXKAQMGGKYIAP-DTWKUNHWSA-N 0 3 200.282 0.280 40 0 BCABHN COCCNC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000019483939 174327306 /nfs/dbraw/zinc/32/73/06/174327306.db2.gz YAXKAQMGGKYIAP-RKDXNWHRSA-N 0 3 200.282 0.280 40 0 BCABHN COCCNCc1cnn(CC(F)F)c1 ZINC000054720428 174335904 /nfs/dbraw/zinc/33/59/04/174335904.db2.gz WCXWRSRPDOQTSM-UHFFFAOYSA-N 0 3 219.235 0.884 40 0 BCABHN COc1ccc(-n2cc(CN)nn2)cc1F ZINC000050224191 175043802 /nfs/dbraw/zinc/04/38/02/175043802.db2.gz TVSZSXCODDYBTM-UHFFFAOYSA-N 0 3 222.223 0.874 40 0 BCABHN COc1ccccc1O[C@@H]1COC[C@@H]1N ZINC000218680367 175342411 /nfs/dbraw/zinc/34/24/11/175342411.db2.gz XIYXTVMUMMXJEK-GZMMTYOYSA-N 0 3 209.245 0.800 40 0 BCABHN C[C@@H]1CCC[C@H](C(=O)N2CCOCC2)N1 ZINC000019508996 176135456 /nfs/dbraw/zinc/13/54/56/176135456.db2.gz JAMLLYGTOFUBRU-NXEZZACHSA-N 0 3 212.293 0.376 40 0 BCABHN C[C@@H]1CN(CCCO)[C@@H](C)CN1CCCO ZINC000022951469 177249755 /nfs/dbraw/zinc/24/97/55/177249755.db2.gz IWKQAKRPXVCLLA-TXEJJXNPSA-N 0 3 230.352 0.146 40 0 BCABHN C[C@@H]1C[C@H]2N[C@@H](C)C[C@@H]3N[C@@H](C)C[C@H](N1)N32 ZINC000019329903 177352392 /nfs/dbraw/zinc/35/23/92/177352392.db2.gz MZEWYVRDJISVSS-UFFGRJIKSA-N 0 3 224.352 0.412 40 0 BCABHN CN1CC[C@H](O)[C@@H](Cc2ccncc2)C1 ZINC000169975257 487794005 /nfs/dbraw/zinc/79/40/05/487794005.db2.gz JKERHQVRJCSDMC-RYUDHWBXSA-N 0 3 206.289 0.937 40 0 BCABHN Cc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260759084 323124178 /nfs/dbraw/zinc/12/41/78/323124178.db2.gz DZYDSAURCUZFKX-LLVKDONJSA-N 0 3 240.328 0.862 40 0 BCABHN C[C@@H](NCCN(C)C)C(=O)NCc1ccco1 ZINC000020303677 525447167 /nfs/dbraw/zinc/44/71/67/525447167.db2.gz NTFJBKNTGUQWFR-SNVBAGLBSA-N 0 3 239.319 0.436 40 0 BCABHN O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCCO1 ZINC000004969119 526881042 /nfs/dbraw/zinc/88/10/42/526881042.db2.gz VGQDCTHHWXJXJC-WDEREUQCSA-N 0 3 242.319 0.050 40 0 BCABHN CN(C)CCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335009 398259168 /nfs/dbraw/zinc/25/91/68/398259168.db2.gz UOYANQXTSKHUBK-UHFFFAOYSA-N 0 3 243.351 0.757 40 0 BCABHN COc1cc(CNCCO)cc(OC)c1 ZINC000001700287 342710035 /nfs/dbraw/zinc/71/00/35/342710035.db2.gz JSMOZBFYWXWUAW-UHFFFAOYSA-N 0 3 211.261 0.786 40 0 BCABHN Nc1nc(N)nc(NCc2ccccc2)n1 ZINC000001707016 342710258 /nfs/dbraw/zinc/71/02/58/342710258.db2.gz FZNYFWOTWAPTCI-UHFFFAOYSA-N 0 3 216.248 0.648 40 0 BCABHN Cc1cc(CCO)cnc1N1CCNCC1 ZINC000072222548 259320906 /nfs/dbraw/zinc/32/09/06/259320906.db2.gz XFSWYBFZRLXSOF-UHFFFAOYSA-N 0 3 221.304 0.334 40 0 BCABHN Cc1nc(N2CCNCC2)ccc1CO ZINC000072224614 259321931 /nfs/dbraw/zinc/32/19/31/259321931.db2.gz OYAYDPUMLGLVPC-UHFFFAOYSA-N 0 3 207.277 0.292 40 0 BCABHN N[C@@H]1CS[C@H](c2cccs2)CNC1=O ZINC000034170830 343265735 /nfs/dbraw/zinc/26/57/35/343265735.db2.gz JIKPFDXBWSSTCF-SVRRBLITSA-N 0 3 228.342 0.980 40 0 BCABHN COc1ccc(CN(C)C(=O)CN)cc1 ZINC000037498079 343310463 /nfs/dbraw/zinc/31/04/63/343310463.db2.gz KCQFXHLUCWXLAZ-UHFFFAOYSA-N 0 3 208.261 0.612 40 0 BCABHN C[C@H](N)C(=O)N(Cc1ccccn1)C1CC1 ZINC000037803335 343313053 /nfs/dbraw/zinc/31/30/53/343313053.db2.gz NAOJSBPFQOOQEI-VIFPVBQESA-N 0 3 219.288 0.920 40 0 BCABHN CCN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339414669 343699327 /nfs/dbraw/zinc/69/93/27/343699327.db2.gz IZRCCRROZOHHAY-SNVBAGLBSA-N 0 3 210.281 0.427 40 0 BCABHN N[C@@H](CN1C(=O)COCC1=O)c1ccccc1 ZINC000041074595 343784541 /nfs/dbraw/zinc/78/45/41/343784541.db2.gz XCONFEXZJXFPOC-JTQLQIEISA-N 0 3 234.255 0.072 40 0 BCABHN CCNc1ccnc(N2CCNCC2)n1 ZINC000106888592 343785789 /nfs/dbraw/zinc/78/57/89/343785789.db2.gz VNFNSDRVZQBUCM-UHFFFAOYSA-N 0 3 207.281 0.318 40 0 BCABHN CCOCC1CCN(C(=O)CNC)CC1 ZINC000309503049 343790866 /nfs/dbraw/zinc/79/08/66/343790866.db2.gz MFLNUTFSBNSHMG-UHFFFAOYSA-N 0 3 214.309 0.481 40 0 BCABHN C[C@@H](N)C(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000304545783 343797432 /nfs/dbraw/zinc/79/74/32/343797432.db2.gz JLPPWAXQGCYKTO-ZCFIWIBFSA-N 0 3 240.225 0.249 40 0 BCABHN O=Cc1cn([C@@H]2CCN(CC3CC3)C2)nn1 ZINC000409427261 343800675 /nfs/dbraw/zinc/80/06/75/343800675.db2.gz VMOJWDMIGHJZGS-LLVKDONJSA-N 0 3 220.276 0.747 40 0 BCABHN N=C(CN1CC[C@@H](O)[C@H](CC2CC2)C1)NO ZINC000409427380 343800796 /nfs/dbraw/zinc/80/07/96/343800796.db2.gz FBHMERMGCFMRHE-NXEZZACHSA-N 0 3 227.308 0.425 40 0 BCABHN COC[C@H]1CN(CCO)C[C@H]1C(F)(F)F ZINC000409427437 343801244 /nfs/dbraw/zinc/80/12/44/343801244.db2.gz FGCUVEBBVUAAKL-HTQZYQBOSA-N 0 3 227.226 0.735 40 0 BCABHN CC(C)CN1CC[C@H](n2cc(C=O)nn2)C1 ZINC000409428406 343803283 /nfs/dbraw/zinc/80/32/83/343803283.db2.gz ZVRPEXDIONMBML-NSHDSACASA-N 0 3 222.292 0.993 40 0 BCABHN CC(=O)c1ccc(C(=O)N2CC(N)C2)s1 ZINC000409422566 343813955 /nfs/dbraw/zinc/81/39/55/343813955.db2.gz GDWMKDGMLNYNCI-UHFFFAOYSA-N 0 3 224.285 0.734 40 0 BCABHN CC(=O)Nc1ccc(C(=O)N2CC(N)C2)cc1 ZINC000409422975 343814279 /nfs/dbraw/zinc/81/42/79/343814279.db2.gz KHNWYVCPTVJZKI-UHFFFAOYSA-N 0 3 233.271 0.428 40 0 BCABHN CCc1nn(C(C)C)c(=O)n1C1CNC1 ZINC000409423148 343814680 /nfs/dbraw/zinc/81/46/80/343814680.db2.gz AFHLBHVFADWOCO-UHFFFAOYSA-N 0 3 210.281 0.332 40 0 BCABHN CCCN1CCC[C@H]1Cn1cc(C=O)nn1 ZINC000409423243 343814710 /nfs/dbraw/zinc/81/47/10/343814710.db2.gz AYRFXTRIJLWJMR-NSHDSACASA-N 0 3 222.292 0.965 40 0 BCABHN NC1CN(C(=O)COc2ccc(F)cc2)C1 ZINC000409423049 343814729 /nfs/dbraw/zinc/81/47/29/343814729.db2.gz KYPYLHRAORZVMU-UHFFFAOYSA-N 0 3 224.235 0.374 40 0 BCABHN OCc1cn([C@H]2CCN(C3CCC3)C2)nn1 ZINC000409423361 343815261 /nfs/dbraw/zinc/81/52/61/343815261.db2.gz BLIPLTGUKAFVIJ-NSHDSACASA-N 0 3 222.292 0.570 40 0 BCABHN CCOC[C@@H]1CCCN(CC(=N)NO)C1 ZINC000409432814 343827696 /nfs/dbraw/zinc/82/76/96/343827696.db2.gz WLDKYZMHVMENJJ-SECBINFHSA-N 0 3 215.297 0.691 40 0 BCABHN CN1CCCC[C@@H]1Cn1cc(CO)nn1 ZINC000409423784 343816383 /nfs/dbraw/zinc/81/63/83/343816383.db2.gz DAZALXPGJSEKPJ-SNVBAGLBSA-N 0 3 210.281 0.255 40 0 BCABHN COCCC1CCN(CC(=N)NO)CC1 ZINC000409425461 343819217 /nfs/dbraw/zinc/81/92/17/343819217.db2.gz FXNDHDCRSAMTLC-UHFFFAOYSA-N 0 3 215.297 0.691 40 0 BCABHN CCOC[C@H]1CC(F)(F)CN1C(=O)CNC ZINC000409425929 343821023 /nfs/dbraw/zinc/82/10/23/343821023.db2.gz BHDJIXFESILQIL-MRVPVSSYSA-N 0 3 236.262 0.479 40 0 BCABHN CCc1nn(C2CCCC2)c(=O)n1C1CNC1 ZINC000409426117 343821567 /nfs/dbraw/zinc/82/15/67/343821567.db2.gz OIMDDGUUZAASKL-UHFFFAOYSA-N 0 3 236.319 0.867 40 0 BCABHN O=Cc1cn([C@@H]2CCN(C3CCC3)C2)nn1 ZINC000409426226 343821886 /nfs/dbraw/zinc/82/18/86/343821886.db2.gz OXRRQCLUGUZTEX-LLVKDONJSA-N 0 3 220.276 0.890 40 0 BCABHN CCCN1CC[C@H](n2cc(C=O)nn2)C1 ZINC000409426268 343822029 /nfs/dbraw/zinc/82/20/29/343822029.db2.gz PKLRMWZTMKDANO-JTQLQIEISA-N 0 3 208.265 0.747 40 0 BCABHN COC[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N)C2 ZINC000409431728 343822519 /nfs/dbraw/zinc/82/25/19/343822519.db2.gz KDNBDPJOARRNKF-JBLDHEPKSA-N 0 3 226.320 0.609 40 0 BCABHN C[C@@H](N)C(=O)N1CCc2c1cccc2CO ZINC000409432016 343825172 /nfs/dbraw/zinc/82/51/72/343825172.db2.gz KNCZIQLSDZSMCM-MRVPVSSYSA-N 0 3 220.272 0.415 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC[C@H](CF)C1 ZINC000409432217 343825734 /nfs/dbraw/zinc/82/57/34/343825734.db2.gz UXGQFCAYZYTAOZ-NXEZZACHSA-N 0 3 214.284 0.947 40 0 BCABHN CCOC[C@@H]1CCN(CC(=N)NO)C1 ZINC000409428445 343803742 /nfs/dbraw/zinc/80/37/42/343803742.db2.gz MONUDMOQVGFLNR-MRVPVSSYSA-N 0 3 201.270 0.301 40 0 BCABHN CNc1cc(N(C)CC(OC)OC)nc(C)n1 ZINC000409428501 343803787 /nfs/dbraw/zinc/80/37/87/343803787.db2.gz GLGFVMFNFYTYNU-UHFFFAOYSA-N 0 3 240.307 0.882 40 0 BCABHN CN(c1cc(=O)[n-]c(=O)[nH]1)C1CC[NH+](C)CC1 ZINC000409428459 343803835 /nfs/dbraw/zinc/80/38/35/343803835.db2.gz FSYQGMDGGRWDRN-UHFFFAOYSA-N 0 3 238.291 0.418 40 0 BCABHN N=C(CN1CCc2ccc(CO)cc21)NO ZINC000409429546 343806091 /nfs/dbraw/zinc/80/60/91/343806091.db2.gz HOWBVLKRRKILRJ-UHFFFAOYSA-N 0 3 221.260 0.497 40 0 BCABHN COC[C@H]1CC(F)(F)CN1C(=O)[C@@H](C)N ZINC000409430619 343808541 /nfs/dbraw/zinc/80/85/41/343808541.db2.gz IRHDBNKQLHELJW-RNFRBKRXSA-N 0 3 222.235 0.216 40 0 BCABHN COC[C@H]1CC(F)(F)CN1C(=O)[C@H](C)N ZINC000409430618 343808815 /nfs/dbraw/zinc/80/88/15/343808815.db2.gz IRHDBNKQLHELJW-NKWVEPMBSA-N 0 3 222.235 0.216 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCN(CCF)CC1 ZINC000402681840 343811413 /nfs/dbraw/zinc/81/14/13/343811413.db2.gz WEOSQXLGVQKPKN-LLVKDONJSA-N 0 3 243.326 0.242 40 0 BCABHN COCc1nc(C(=N)N)c2ccccn12 ZINC000409439833 343853471 /nfs/dbraw/zinc/85/34/71/343853471.db2.gz IYUVQDHALOAZMF-UHFFFAOYSA-N 0 3 204.233 0.765 40 0 BCABHN COC[C@@H]1CN(C(=O)CN)CC12CCC2 ZINC000409432997 343828773 /nfs/dbraw/zinc/82/87/73/343828773.db2.gz MAHVRARKXIMSGB-VIFPVBQESA-N 0 3 212.293 0.220 40 0 BCABHN COC1(C(F)(F)F)CN(C(=O)[C@H](C)N)C1 ZINC000409435422 343833086 /nfs/dbraw/zinc/83/30/86/343833086.db2.gz UNYLMRIBCSWWJZ-YFKPBYRVSA-N 0 3 226.198 0.123 40 0 BCABHN CCOCC1(C)CCN(C(=O)[C@H](C)N)CC1 ZINC000409435433 343833108 /nfs/dbraw/zinc/83/31/08/343833108.db2.gz UQLZPHFGVBTOAS-JTQLQIEISA-N 0 3 228.336 0.999 40 0 BCABHN CCOC[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)N ZINC000409435615 343834457 /nfs/dbraw/zinc/83/44/57/343834457.db2.gz VTWSTBQOCUTCAV-YUMQZZPRSA-N 0 3 236.262 0.606 40 0 BCABHN COC1(C(F)(F)F)CCN(C(=O)CN)CC1 ZINC000409435628 343834517 /nfs/dbraw/zinc/83/45/17/343834517.db2.gz VVHHLJREUWZGQH-UHFFFAOYSA-N 0 3 240.225 0.515 40 0 BCABHN COC[C@@H]1CN(C(=O)CN)CC1(C)C ZINC000409435150 343835975 /nfs/dbraw/zinc/83/59/75/343835975.db2.gz SQFYVTVARVDNHA-QMMMGPOBSA-N 0 3 200.282 0.076 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409436059 343836961 /nfs/dbraw/zinc/83/69/61/343836961.db2.gz XWZIUUBQSGFZSK-JBLDHEPKSA-N 0 3 226.320 0.345 40 0 BCABHN CCC[C@@H]1CN(C(=O)CNC)CC[C@@H]1O ZINC000409436094 343837253 /nfs/dbraw/zinc/83/72/53/343837253.db2.gz YBDHIBKMWUWRBH-ZJUUUORDSA-N 0 3 214.309 0.215 40 0 BCABHN COC[C@@]12CCC[C@H]1CN(CC(=N)NO)C2 ZINC000409436103 343837400 /nfs/dbraw/zinc/83/74/00/343837400.db2.gz YDMDOMSCZVRWKO-ONGXEEELSA-N 0 3 227.308 0.691 40 0 BCABHN Cn1nc(-c2cnccn2)c2c1CCNC2 ZINC000409440451 343852422 /nfs/dbraw/zinc/85/24/22/343852422.db2.gz TYBTYZHXNJJFNP-UHFFFAOYSA-N 0 3 215.260 0.523 40 0 BCABHN CN(c1cc(N)ncn1)C1CCN(C)CC1 ZINC000087805619 344236786 /nfs/dbraw/zinc/23/67/86/344236786.db2.gz JSAUPHWOZVDQFU-UHFFFAOYSA-N 0 3 221.308 0.589 40 0 BCABHN CC(C)(C)OC(=O)N1CNC(=O)C2=C1CNC2 ZINC000095644275 344354741 /nfs/dbraw/zinc/35/47/41/344354741.db2.gz OCTBJTXTPOOCHT-UHFFFAOYSA-N 0 3 239.275 0.168 40 0 BCABHN CN(Cc1ccccn1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O ZINC000585276627 344398649 /nfs/dbraw/zinc/39/86/49/344398649.db2.gz BUUCSDRPIXZPCB-UTUOFQBUSA-N 0 3 249.314 0.138 40 0 BCABHN NCc1cn(C2CCCCC2)c(=O)[nH]c1=O ZINC000257906841 345777840 /nfs/dbraw/zinc/77/78/40/345777840.db2.gz NBGXIMOWEQJRIL-UHFFFAOYSA-N 0 3 223.276 0.913 40 0 BCABHN Cc1ccccc1NC(=O)CN1CC(N)C1 ZINC000082595573 345910399 /nfs/dbraw/zinc/91/03/99/345910399.db2.gz KEXLEOYVAYDPRA-UHFFFAOYSA-N 0 3 219.288 0.576 40 0 BCABHN NC1CN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000083634995 345919406 /nfs/dbraw/zinc/91/94/06/345919406.db2.gz GCRFYGHIJCWVPS-UHFFFAOYSA-N 0 3 215.256 0.951 40 0 BCABHN CCOCC1CCN(C(=O)[C@H](C)N)CC1 ZINC000083887811 345920868 /nfs/dbraw/zinc/92/08/68/345920868.db2.gz IDGGDIICELOREU-VIFPVBQESA-N 0 3 214.309 0.609 40 0 BCABHN CNc1cc(N2CC[C@@H](O)C2)nc(C)n1 ZINC000087828614 345940036 /nfs/dbraw/zinc/94/00/36/345940036.db2.gz PEQBZHACGHPMJO-MRVPVSSYSA-N 0 3 208.265 0.398 40 0 BCABHN CCNc1nccc(N2CCNCC2)n1 ZINC000087831197 345940252 /nfs/dbraw/zinc/94/02/52/345940252.db2.gz KYFLOZVRQXEPBG-UHFFFAOYSA-N 0 3 207.281 0.318 40 0 BCABHN Cc1nc(N)cc(N2CCSCC2)n1 ZINC000087806325 345941798 /nfs/dbraw/zinc/94/17/98/345941798.db2.gz BQPGYVIQCNFVBF-UHFFFAOYSA-N 0 3 210.306 0.920 40 0 BCABHN Cc1nc(N)cc(N2CCCN(C)CC2)n1 ZINC000087806490 345942386 /nfs/dbraw/zinc/94/23/86/345942386.db2.gz AGEBBCIDQJEVEV-UHFFFAOYSA-N 0 3 221.308 0.509 40 0 BCABHN COCC[NH2+]Cc1c([O-])c(C)ncc1CO ZINC000146977441 345993624 /nfs/dbraw/zinc/99/36/24/345993624.db2.gz IOMMFNVPIQFZBZ-UHFFFAOYSA-N 0 3 226.276 0.324 40 0 BCABHN C[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000004723030 346607441 /nfs/dbraw/zinc/60/74/41/346607441.db2.gz MDJPOHDQJZNIOZ-KPXOXKRLSA-N 0 3 207.273 0.615 40 0 BCABHN Cn1ccc(C(=O)NC2CCN(C)CC2)n1 ZINC000002778349 347513235 /nfs/dbraw/zinc/51/32/35/347513235.db2.gz HZHIKVLMVDWUET-UHFFFAOYSA-N 0 3 222.292 0.244 40 0 BCABHN Cc1[nH]c(=S)[n-]c(=O)c1CCSC(N)=[NH2+] ZINC000008649605 180028574 /nfs/dbraw/zinc/02/85/74/180028574.db2.gz RVBCHKGHJMCLSR-UHFFFAOYSA-N 0 3 244.345 0.948 40 0 BCABHN Cc1nc2c(c(=O)n1C[C@H]1CCCO1)CNCC2 ZINC000096516484 180068022 /nfs/dbraw/zinc/06/80/22/180068022.db2.gz UBWCTFONKIQWEZ-SNVBAGLBSA-N 0 3 249.314 0.376 40 0 BCABHN Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)CNCC2 ZINC000096516483 180068766 /nfs/dbraw/zinc/06/87/66/180068766.db2.gz UBWCTFONKIQWEZ-JTQLQIEISA-N 0 3 249.314 0.376 40 0 BCABHN Cc1ncc([C@H](CN)N2CCOCC2)cn1 ZINC000074039061 180173337 /nfs/dbraw/zinc/17/33/37/180173337.db2.gz WCYBAQSGDZTVKR-NSHDSACASA-N 0 3 222.292 0.117 40 0 BCABHN Cc1nn(C)c(C)c1CN1CC[C@@H](O)C1 ZINC000075135140 180337773 /nfs/dbraw/zinc/33/77/73/180337773.db2.gz IJASTZFFCNZPQM-SNVBAGLBSA-N 0 3 209.293 0.604 40 0 BCABHN O=C([C@H]1C[C@@H](F)CN1)N1CCSCC1 ZINC000409422990 350474780 /nfs/dbraw/zinc/47/47/80/350474780.db2.gz KLSNDIIVERIZLG-HTQZYQBOSA-N 0 3 218.297 0.262 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC(CF)C1 ZINC000409427181 350476905 /nfs/dbraw/zinc/47/69/05/350476905.db2.gz JWVADTOGHQFTSJ-VIFPVBQESA-N 0 3 200.257 0.556 40 0 BCABHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN ZINC000019434980 180391802 /nfs/dbraw/zinc/39/18/02/180391802.db2.gz YYCYXXPDXWUTBB-SECBINFHSA-N 0 3 243.332 0.318 40 0 BCABHN CN1CC[C@H](O)[C@H](Cc2ccccn2)C1 ZINC000252515877 259430707 /nfs/dbraw/zinc/43/07/07/259430707.db2.gz OGGWQOJFGKKYML-PWSUYJOCSA-N 0 3 206.289 0.937 40 0 BCABHN CC(C)[C@H](N)C(=O)NCc1cnccn1 ZINC000079435702 188117965 /nfs/dbraw/zinc/11/79/65/188117965.db2.gz NAYACBBFEICSPJ-VIFPVBQESA-N 0 3 208.265 0.076 40 0 BCABHN CC1(c2cc[nH]n2)CCN(CCO)CC1 ZINC000257244288 188193503 /nfs/dbraw/zinc/19/35/03/188193503.db2.gz IKRPXHMXUGENRJ-UHFFFAOYSA-N 0 3 209.293 0.756 40 0 BCABHN CC(C)N(C)Cc1[nH]nc2c1CCNC2 ZINC000306140171 188218483 /nfs/dbraw/zinc/21/84/83/188218483.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 0 3 208.309 0.896 40 0 BCABHN CC(C)N(C)Cc1n[nH]c2c1CCNC2 ZINC000306140171 188218484 /nfs/dbraw/zinc/21/84/84/188218484.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 0 3 208.309 0.896 40 0 BCABHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)n(C)n1 ZINC000002774849 353477798 /nfs/dbraw/zinc/47/77/98/353477798.db2.gz YYHRAYKIFCZBTB-LLVKDONJSA-N 0 3 248.330 0.649 40 0 BCABHN O=C(CN1CCNCC1)NC1CCCCCC1 ZINC000023292070 356662211 /nfs/dbraw/zinc/66/22/11/356662211.db2.gz JHVIIOVNNTUCHS-UHFFFAOYSA-N 0 3 239.363 0.731 40 0 BCABHN CSCC[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000040458652 358670497 /nfs/dbraw/zinc/67/04/97/358670497.db2.gz LIHPVZVAIPMQTO-IUCAKERBSA-N 0 3 232.349 0.362 40 0 BCABHN NCC(=O)N1CCN(C2CCCCCC2)CC1 ZINC000049829901 181349983 /nfs/dbraw/zinc/34/99/83/181349983.db2.gz VEDXECQSMGHLBT-UHFFFAOYSA-N 0 3 239.363 0.812 40 0 BCABHN NCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000079404047 181354189 /nfs/dbraw/zinc/35/41/89/181354189.db2.gz UFPNGJVADXICDU-CYBMUJFWSA-N 0 3 247.342 0.726 40 0 BCABHN [NH3+]CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000035289157 181382225 /nfs/dbraw/zinc/38/22/25/181382225.db2.gz KWOQZIQFVKXEOB-UHFFFAOYSA-N 0 3 245.282 0.607 40 0 BCABHN O[C@H]1CN[C@H](c2nc3ccccc3[nH]2)C1 ZINC000252499887 370062727 /nfs/dbraw/zinc/06/27/27/370062727.db2.gz SICQIBMMRVDSMK-XCBNKYQSSA-N 0 3 203.245 0.958 40 0 BCABHN CO[C@H]1CN[C@@H](c2nc3ccncc3c(=O)[nH]2)C1 ZINC000253536075 370175261 /nfs/dbraw/zinc/17/52/61/370175261.db2.gz GXQPDRXAADVDEQ-GMSGAONNSA-N 0 3 246.270 0.780 40 0 BCABHN CN(C)C[C@H](O)CSc1cnn(C)c1 ZINC000256050079 370635083 /nfs/dbraw/zinc/63/50/83/370635083.db2.gz COGAXLWEODOTJQ-QMMMGPOBSA-N 0 3 215.322 0.435 40 0 BCABHN OCCN(CCO)Cc1ccc(O)cc1 ZINC000066325613 183066367 /nfs/dbraw/zinc/06/63/67/183066367.db2.gz XAVOYDXFXRXRNF-UHFFFAOYSA-N 0 3 211.261 0.179 40 0 BCABHN OCCN1CCC(Cc2ncccn2)CC1 ZINC000257343922 183072300 /nfs/dbraw/zinc/07/23/00/183072300.db2.gz ZUYGMAGIDYRYBE-UHFFFAOYSA-N 0 3 221.304 0.723 40 0 BCABHN OC[C@@H]1O[C@@H](n2ccc3cnccc32)C[C@@H]1O ZINC000005594605 183131148 /nfs/dbraw/zinc/13/11/48/183131148.db2.gz YEWRIVWHPQXYGF-SDDRHHMPSA-N 0 3 234.255 0.677 40 0 BCABHN c1cncc(N2CCOC[C@@]3(CNCCO3)C2)c1 ZINC000096229561 183496085 /nfs/dbraw/zinc/49/60/85/183496085.db2.gz HVQSFEFBRLIJHU-CYBMUJFWSA-N 0 3 249.314 0.277 40 0 BCABHN CN(C)CCn1cnc2ncccc2c1=O ZINC000000088423 383824475 /nfs/dbraw/zinc/82/44/75/383824475.db2.gz BJQAYRRJWYDQIJ-UHFFFAOYSA-N 0 3 218.260 0.353 40 0 BCABHN C[C@@H](N)C(=O)N(CC1CC1)C1CCOCC1 ZINC000409434881 383839143 /nfs/dbraw/zinc/83/91/43/383839143.db2.gz RAETWJBVPLQZQI-SECBINFHSA-N 0 3 226.320 0.751 40 0 BCABHN COC[C@@]1(C(F)(F)F)CCN(CCO)C1 ZINC000409434861 383839708 /nfs/dbraw/zinc/83/97/08/383839708.db2.gz QYOFSNSRSMWEOM-MRVPVSSYSA-N 0 3 227.226 0.880 40 0 BCABHN C[C@H](N)C(=O)N(CC1CC1)C1CCOCC1 ZINC000409434882 383840471 /nfs/dbraw/zinc/84/04/71/383840471.db2.gz RAETWJBVPLQZQI-VIFPVBQESA-N 0 3 226.320 0.751 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000053245645 383846023 /nfs/dbraw/zinc/84/60/23/383846023.db2.gz QFDYLPOYYUJDDZ-MNOVXSKESA-N 0 3 227.352 0.522 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCCN(CCO)C2)C1 ZINC000409434129 383830335 /nfs/dbraw/zinc/83/03/35/383830335.db2.gz ODFDTEUBQDAUTN-NEPJUHHUSA-N 0 3 229.320 0.639 40 0 BCABHN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000037815202 383896425 /nfs/dbraw/zinc/89/64/25/383896425.db2.gz YHRSGTSNEJSAOV-QWRGUYRKSA-N 0 3 241.335 0.097 40 0 BCABHN CCN(CCO)[C@@H]1CCCN(C(C)=O)C1 ZINC000079405345 384134424 /nfs/dbraw/zinc/13/44/24/384134424.db2.gz PLBXLWGBERAEML-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN CC(=O)N1CCCC[C@H]1CN(CCO)C1CC1 ZINC000079405502 384134522 /nfs/dbraw/zinc/13/45/22/384134522.db2.gz XURCPMJPAHDEMD-ZDUSSCGKSA-N 0 3 240.347 0.844 40 0 BCABHN CC(C)N(C[C@@H]1CCCN1C)C(=O)CN ZINC000079406937 384135632 /nfs/dbraw/zinc/13/56/32/384135632.db2.gz SIGDXOSYLQFYOU-JTQLQIEISA-N 0 3 213.325 0.276 40 0 BCABHN CN1CCC(N(C(=O)CN)C2CC2)CC1 ZINC000079407043 384136746 /nfs/dbraw/zinc/13/67/46/384136746.db2.gz FNWCDTTYIDAXQX-UHFFFAOYSA-N 0 3 211.309 0.030 40 0 BCABHN CC(C)[C@H](N)C(=O)NCC(=O)c1nccs1 ZINC000079436358 384146734 /nfs/dbraw/zinc/14/67/34/384146734.db2.gz TYGZLQWUPNIZIO-QMMMGPOBSA-N 0 3 241.316 0.425 40 0 BCABHN CC(=O)N(C)C[C@@H]1CCCCN1CCO ZINC000079416379 384138928 /nfs/dbraw/zinc/13/89/28/384138928.db2.gz RPVIIPWRQZPSBB-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN CC(=O)N(C(C)C)[C@H]1CCN(CCO)C1 ZINC000079416488 384138975 /nfs/dbraw/zinc/13/89/75/384138975.db2.gz KFWPLYOPZVHTDR-NSHDSACASA-N 0 3 214.309 0.310 40 0 BCABHN CC(=O)N(C[C@@H]1CCCN(CCO)C1)C1CC1 ZINC000079416591 384138996 /nfs/dbraw/zinc/13/89/96/384138996.db2.gz GEECQJQALSBKJK-GFCCVEGCSA-N 0 3 240.347 0.702 40 0 BCABHN CC(=O)N(C(C)C)C1CCN(C(=O)CN)CC1 ZINC000079417368 384139279 /nfs/dbraw/zinc/13/92/79/384139279.db2.gz TYVYKBLZWNZYNJ-UHFFFAOYSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C[C@H]1CCN(CCO)C1)C1CC1 ZINC000079416567 384139875 /nfs/dbraw/zinc/13/98/75/384139875.db2.gz LKJQLTKRYSTRDE-NSHDSACASA-N 0 3 226.320 0.312 40 0 BCABHN CCN(C[C@H]1CCCN1CCO)C(C)=O ZINC000079416422 384140513 /nfs/dbraw/zinc/14/05/13/384140513.db2.gz ZSFKYZAOEDOESY-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN CCN(C[C@H]1CCN(CCO)C1)C(C)=O ZINC000079416431 384140594 /nfs/dbraw/zinc/14/05/94/384140594.db2.gz SKPJKDCSHARHNS-NSHDSACASA-N 0 3 214.309 0.169 40 0 BCABHN CN(Cc1ccc(Cl)nc1)C(=O)CN ZINC000079421534 384142471 /nfs/dbraw/zinc/14/24/71/384142471.db2.gz ANPROIXNMUTDFO-UHFFFAOYSA-N 0 3 213.668 0.652 40 0 BCABHN CC(C)[C@H](N)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000079420049 384143029 /nfs/dbraw/zinc/14/30/29/384143029.db2.gz KEYAYXXXNNZSDU-UWVGGRQHSA-N 0 3 213.325 0.132 40 0 BCABHN C[N@H+](C[C@@H]1CCN(CC(=O)[O-])C1)C1CC1 ZINC000079419776 384144177 /nfs/dbraw/zinc/14/41/77/384144177.db2.gz LHSFHHQBDTZITQ-VIFPVBQESA-N 0 3 212.293 0.487 40 0 BCABHN C[N@@H+](C[C@@H]1CCN(CC(=O)[O-])C1)C1CC1 ZINC000079419776 384144180 /nfs/dbraw/zinc/14/41/80/384144180.db2.gz LHSFHHQBDTZITQ-VIFPVBQESA-N 0 3 212.293 0.487 40 0 BCABHN COC[C@@H]1CN(C)CCN(c2cnccn2)C1 ZINC000072376704 384215893 /nfs/dbraw/zinc/21/58/93/384215893.db2.gz JNEPQZRALDTSKB-LLVKDONJSA-N 0 3 236.319 0.491 40 0 BCABHN Cn1cc(CN2CC[C@H](c3nncn3C)C2)cn1 ZINC000072382267 384220670 /nfs/dbraw/zinc/22/06/70/384220670.db2.gz STXXLJLAJOJGEI-NSHDSACASA-N 0 3 246.318 0.538 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H]2ON=C(CN)[C@@H]2C1 ZINC000095743430 384393678 /nfs/dbraw/zinc/39/36/78/384393678.db2.gz NGEGZOIWPHWOJW-IONNQARKSA-N 0 3 241.291 0.567 40 0 BCABHN CN1c2ccccc2[C@@]2(CCN(CCO)C2)C1=O ZINC000096244816 384446886 /nfs/dbraw/zinc/44/68/86/384446886.db2.gz PEJIYMQEVMLLAD-AWEZNQCLSA-N 0 3 246.310 0.599 40 0 BCABHN O=C1Nc2ccccc2[C@]12CCN(CCO)C2 ZINC000096080462 384434970 /nfs/dbraw/zinc/43/49/70/384434970.db2.gz UHPSWDWQRVUDJC-CYBMUJFWSA-N 0 3 232.283 0.575 40 0 BCABHN O=C1NCC[C@@H]2CN(Cc3ccoc3)C[C@@H]12 ZINC000096094271 384435090 /nfs/dbraw/zinc/43/50/90/384435090.db2.gz QNPGOMXWJYATHN-GHMZBOCLSA-N 0 3 220.272 0.848 40 0 BCABHN c1nnn2c1CO[C@H](CNCc1cccnc1)C2 ZINC000096199129 384442100 /nfs/dbraw/zinc/44/21/00/384442100.db2.gz RAKLPAJDQPFNFG-GFCCVEGCSA-N 0 3 245.286 0.362 40 0 BCABHN CCOC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000160064403 384482718 /nfs/dbraw/zinc/48/27/18/384482718.db2.gz UGIKTFJGQCNQEI-VHSXEESVSA-N 0 3 214.309 0.609 40 0 BCABHN CCN(C[C@H]1CCCN(CCO)C1)C(C)=O ZINC000079416456 384496111 /nfs/dbraw/zinc/49/61/11/384496111.db2.gz DHOPRZQTHZKBBG-LBPRGKRZSA-N 0 3 228.336 0.559 40 0 BCABHN OCCNCc1ccc(Br)nc1 ZINC000079421503 384496697 /nfs/dbraw/zinc/49/66/97/384496697.db2.gz ISYQGKUUFIRNCH-UHFFFAOYSA-N 0 3 231.093 0.926 40 0 BCABHN NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000019414182 384522972 /nfs/dbraw/zinc/52/29/72/384522972.db2.gz FSNIHYOXNQICHK-UHFFFAOYSA-N 0 3 226.301 0.685 40 0 BCABHN NCc1cccc(N2CCOCC2=O)c1 ZINC000082655990 384610144 /nfs/dbraw/zinc/61/01/44/384610144.db2.gz SLGKLGZQQTYHOC-UHFFFAOYSA-N 0 3 206.245 0.509 40 0 BCABHN COC[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000081061167 384732166 /nfs/dbraw/zinc/73/21/66/384732166.db2.gz KRBDHLQKEPUKGX-GHMZBOCLSA-N 0 3 226.320 0.623 40 0 BCABHN NC[C@@H](O)c1ncccc1Br ZINC000083300745 384759803 /nfs/dbraw/zinc/75/98/03/384759803.db2.gz CIOGNUDZTNQTPI-ZCFIWIBFSA-N 0 3 217.066 0.836 40 0 BCABHN Brc1cnc(NC2CNC2)nc1 ZINC000085256551 384770622 /nfs/dbraw/zinc/77/06/22/384770622.db2.gz VEYDCOVRMYFNBC-UHFFFAOYSA-N 0 3 229.081 0.623 40 0 BCABHN CSc1nsc(N2CCNCC2)n1 ZINC000147401967 384841380 /nfs/dbraw/zinc/84/13/80/384841380.db2.gz LAXFFDAHPFILCU-UHFFFAOYSA-N 0 3 216.335 0.670 40 0 BCABHN N[C@@H](C[C@@H]([NH3+])C(=O)[O-])c1ccc(F)cc1 ZINC000259461605 384926780 /nfs/dbraw/zinc/92/67/80/384926780.db2.gz OQRQEHHYQFHKKC-DTWKUNHWSA-N 0 3 212.224 0.628 40 0 BCABHN N[C@H](C[C@H]([NH3+])c1ccc(F)cc1)C(=O)[O-] ZINC000259461605 384926785 /nfs/dbraw/zinc/92/67/85/384926785.db2.gz OQRQEHHYQFHKKC-DTWKUNHWSA-N 0 3 212.224 0.628 40 0 BCABHN CC1(C)[C@@]2(C(=O)NCCN)CC[C@]1(C)C(=O)C2 ZINC000085385649 385153406 /nfs/dbraw/zinc/15/34/06/385153406.db2.gz ULORRIHBCFMNFT-OLZOCXBDSA-N 0 3 238.331 0.847 40 0 BCABHN CNC(=O)c1cccc([C@H]2CNCCN2C)c1 ZINC000072344376 385205394 /nfs/dbraw/zinc/20/53/94/385205394.db2.gz IZMJVZWTJQGDSJ-GFCCVEGCSA-N 0 3 233.315 0.622 40 0 BCABHN NCc1cn(-c2ccc3c(c2)OCO3)nn1 ZINC000050224099 385310998 /nfs/dbraw/zinc/31/09/98/385310998.db2.gz OVWYVYIPIIZQGG-UHFFFAOYSA-N 0 3 218.216 0.455 40 0 BCABHN CN1c2ccccc2C(=O)N[C@@]12CCCNC2 ZINC000096516590 385259145 /nfs/dbraw/zinc/25/91/45/385259145.db2.gz WAXIBONTFPFFGL-ZDUSSCGKSA-N 0 3 231.299 0.946 40 0 BCABHN O=c1c2c(ncn1CC1CC1)CCNC2 ZINC000096516469 385259410 /nfs/dbraw/zinc/25/94/10/385259410.db2.gz VZJDOISCLAQGFU-UHFFFAOYSA-N 0 3 205.261 0.299 40 0 BCABHN CC1=CC(=O)NCC2(CCN(C)CC2)N1 ZINC000242543446 385275555 /nfs/dbraw/zinc/27/55/55/385275555.db2.gz KABSTNOFSVJERN-UHFFFAOYSA-N 0 3 209.293 0.432 40 0 BCABHN C[C@@H](O)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000157777364 385323122 /nfs/dbraw/zinc/32/31/22/385323122.db2.gz IWNQQQJVRACCMX-ZYHUDNBSSA-N 0 3 240.347 0.748 40 0 BCABHN C[C@@H](N)C(=O)N1CCOc2ccc(F)cc2C1 ZINC000335057479 385323389 /nfs/dbraw/zinc/32/33/89/385323389.db2.gz GXGVWNDNYQLWCL-MRVPVSSYSA-N 0 3 238.262 0.894 40 0 BCABHN C[C@@H](Oc1ccccc1)C(=O)N1CC(N)C1 ZINC000409424438 385331950 /nfs/dbraw/zinc/33/19/50/385331950.db2.gz VBWANUJWZKHHMU-SECBINFHSA-N 0 3 220.272 0.623 40 0 BCABHN N=C(CN1C[C@H]2CCC(F)(F)[C@@H]2C1)NO ZINC000409424668 385333596 /nfs/dbraw/zinc/33/35/96/385333596.db2.gz COBYADRAEKEGLB-RNFRBKRXSA-N 0 3 219.235 0.920 40 0 BCABHN CN(C)CCNCC(=O)N1CCCCC1 ZINC000020057034 385408574 /nfs/dbraw/zinc/40/85/74/385408574.db2.gz KSBZHUXYHTUTPS-UHFFFAOYSA-N 0 3 213.325 0.150 40 0 BCABHN NN1CCN(C2CCSCC2)CC1 ZINC000253568634 385684293 /nfs/dbraw/zinc/68/42/93/385684293.db2.gz LLTOMXCOPHVOHR-UHFFFAOYSA-N 0 3 201.339 0.373 40 0 BCABHN c1ccc(OC[C@@H]2CCOC23CNC3)nc1 ZINC000253596794 385686230 /nfs/dbraw/zinc/68/62/30/385686230.db2.gz VZTYTJHJMSFNOH-JTQLQIEISA-N 0 3 220.272 0.839 40 0 BCABHN CCN(CC)CCNCc1cnc(NC)nc1 ZINC000062718392 385727589 /nfs/dbraw/zinc/72/75/89/385727589.db2.gz QWPIZXLYDIWVRN-UHFFFAOYSA-N 0 3 237.351 0.950 40 0 BCABHN CC(C)Nc1ncc(CNCCN(C)C)cn1 ZINC000062718442 385726089 /nfs/dbraw/zinc/72/60/89/385726089.db2.gz ZZAPRWSTQLYDQF-UHFFFAOYSA-N 0 3 237.351 0.948 40 0 BCABHN c1ccc(OCc2nnc3n2CCNCC3)nc1 ZINC000306138682 385991037 /nfs/dbraw/zinc/99/10/37/385991037.db2.gz SEEAXHJHPDJUCH-UHFFFAOYSA-N 0 3 245.286 0.398 40 0 BCABHN Cc1nc(C)n(C[C@@H]2CNCc3nccn3C2)n1 ZINC000306143955 385992812 /nfs/dbraw/zinc/99/28/12/385992812.db2.gz YRVPFFHFXDGFHD-LLVKDONJSA-N 0 3 246.318 0.511 40 0 BCABHN CC(C)(C)OC(=O)N1CC2(C1)COCCCN2 ZINC000306145662 385995417 /nfs/dbraw/zinc/99/54/17/385995417.db2.gz MPPNGOCGVQEBNC-UHFFFAOYSA-N 0 3 242.319 0.986 40 0 BCABHN OCCNC[C@H]1COc2ccccc2O1 ZINC000060259944 386487722 /nfs/dbraw/zinc/48/77/22/386487722.db2.gz DQCCOFCUEJFOEX-VIFPVBQESA-N 0 3 209.245 0.408 40 0 BCABHN O=c1cc2c(nn1C[C@H]1CCCO1)CCNC2 ZINC000063169855 386541306 /nfs/dbraw/zinc/54/13/06/386541306.db2.gz KSDMNBQAJLHWNO-SNVBAGLBSA-N 0 3 235.287 0.068 40 0 BCABHN O[C@H]1COCCN(Cc2ccccc2)C1 ZINC000098181529 387471485 /nfs/dbraw/zinc/47/14/85/387471485.db2.gz SQZLCDHCXXQFNQ-GFCCVEGCSA-N 0 3 207.273 0.880 40 0 biogenic,in-vitro BCABHN CN1CC[C@@H](O)[C@H](Cc2cccnc2)C1 ZINC000243497350 388404174 /nfs/dbraw/zinc/40/41/74/388404174.db2.gz NTKKSPNSFJHPJY-VXGBXAGGSA-N 0 3 206.289 0.937 40 0 BCABHN CCS(=O)(=O)[C@@H](CN)C1CCCC1 ZINC000217770526 388380856 /nfs/dbraw/zinc/38/08/56/388380856.db2.gz PKQVCNKSKVAMHM-VIFPVBQESA-N 0 3 205.323 0.939 40 0 BCABHN CCOC[C@]1(CN)C[C@@H]1S(=O)(=O)CC ZINC000217969342 388383830 /nfs/dbraw/zinc/38/38/30/388383830.db2.gz AJWWASWDVASUMJ-DTWKUNHWSA-N 0 3 221.322 0.175 40 0 BCABHN CCCNc1ncc(CNCCCO)cn1 ZINC000062717727 388655659 /nfs/dbraw/zinc/65/56/59/388655659.db2.gz DBNMUMOXCRIYDC-UHFFFAOYSA-N 0 3 224.308 0.771 40 0 BCABHN CCNc1ncc(CNCCOCCO)cn1 ZINC000062717561 388655688 /nfs/dbraw/zinc/65/56/88/388655688.db2.gz KVFBMSXOLNVSIN-UHFFFAOYSA-N 0 3 240.307 0.007 40 0 BCABHN CCCNc1ncc(CNC[C@@H](C)O)cn1 ZINC000062717728 388655875 /nfs/dbraw/zinc/65/58/75/388655875.db2.gz LQZDGNBIBPTYDE-SECBINFHSA-N 0 3 224.308 0.769 40 0 BCABHN CSCC[C@@H](N)C(=O)NCc1ccccn1 ZINC000062725417 388656622 /nfs/dbraw/zinc/65/66/22/388656622.db2.gz NLQNZUXYJUQBOT-SNVBAGLBSA-N 0 3 239.344 0.778 40 0 BCABHN C[C@@H]1CNCCN1c1nccnc1Cl ZINC000038526330 132346370 /nfs/dbraw/zinc/34/63/70/132346370.db2.gz OGTLIDNRGOUIAQ-SSDOTTSWSA-N 0 3 212.684 0.928 40 0 BCABHN FC(F)(F)c1ccc(N2CCNCC2)nn1 ZINC000040546642 132223850 /nfs/dbraw/zinc/22/38/50/132223850.db2.gz OHDYYESXXYZISZ-UHFFFAOYSA-N 0 3 232.209 0.905 40 0 BCABHN c1cc(N2CCCC2)nc(N2CCNCC2)n1 ZINC000045948335 132298822 /nfs/dbraw/zinc/29/88/22/132298822.db2.gz QWMDRNHEZPRPBP-UHFFFAOYSA-N 0 3 233.319 0.486 40 0 BCABHN c1cc2c(c(N3CCNCC3)c1)OCO2 ZINC000034619412 132336733 /nfs/dbraw/zinc/33/67/33/132336733.db2.gz ZJQCWMJADIGRBU-UHFFFAOYSA-N 0 3 206.245 0.825 40 0 BCABHN CSc1nccc(N2CCN[C@H](C)C2)n1 ZINC000072203040 132396298 /nfs/dbraw/zinc/39/62/98/132396298.db2.gz RKATTWKVEZBGHT-MRVPVSSYSA-N 0 3 224.333 0.997 40 0 BCABHN O=S(=O)([N-][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000052093654 398068921 /nfs/dbraw/zinc/06/89/21/398068921.db2.gz OOIZRMZBPLIYBM-SSDOTTSWSA-N 0 3 232.330 0.388 40 0 BCABHN C[C@H](N)C(=O)N1CCC2(CCCCO2)CC1 ZINC000409433881 398086261 /nfs/dbraw/zinc/08/62/61/398086261.db2.gz ZFFYFZWTZYZXBY-JTQLQIEISA-N 0 3 226.320 0.895 40 0 BCABHN CCOC(=O)CCNCC(OCC)OCC ZINC000047219007 170209212 /nfs/dbraw/zinc/20/92/12/170209212.db2.gz DMFBLCWXQAOICN-UHFFFAOYSA-N 0 3 233.308 0.928 40 0 BCABHN CCOC(CNC[C@H](C)C(=O)OC)OCC ZINC000047219189 170315768 /nfs/dbraw/zinc/31/57/68/170315768.db2.gz WAOJYLPDPRRFLV-VIFPVBQESA-N 0 3 233.308 0.784 40 0 BCABHN CC[C@H](C)NC(=O)[C@@H](N)CCSC ZINC000040457786 171333689 /nfs/dbraw/zinc/33/36/89/171333689.db2.gz KWXGXWXKTAJIFI-YUMQZZPRSA-N 0 3 204.339 0.982 40 0 BCABHN CC[C@H](C)[C@H](N)C(=O)N1CCOCC1 ZINC000011959288 171394220 /nfs/dbraw/zinc/39/42/20/171394220.db2.gz LDQFIFFNZXKTIU-IUCAKERBSA-N 0 3 200.282 0.219 40 0 BCABHN CN(C)C(=N)OC(=O)Cc1ccc(O)cc1 ZINC000087492942 172353941 /nfs/dbraw/zinc/35/39/41/172353941.db2.gz TVWCJABSEAZKAD-UHFFFAOYSA-N 0 3 222.244 0.974 40 0 BCABHN CN1CCC(c2cncn2CCO)CC1 ZINC000072381212 173001400 /nfs/dbraw/zinc/00/14/00/173001400.db2.gz RMDNZYQIZMGURJ-UHFFFAOYSA-N 0 3 209.293 0.685 40 0 BCABHN CN1CCCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407054 173007028 /nfs/dbraw/zinc/00/70/28/173007028.db2.gz UKPGQPMLRMFOQH-NSHDSACASA-N 0 3 225.336 0.420 40 0 BCABHN CN1CCC[C@H](CNC(=S)NC2CC2)C1 ZINC000009876492 173041778 /nfs/dbraw/zinc/04/17/78/173041778.db2.gz LQAYTLJZUGVEFA-SECBINFHSA-N 0 3 227.377 0.955 40 0 BCABHN CN1CCN(CCC(N)=O)C[C@@H]1c1ccccc1 ZINC000257223327 173078684 /nfs/dbraw/zinc/07/86/84/173078684.db2.gz DWWJBBWYQHEKJM-CYBMUJFWSA-N 0 3 247.342 0.851 40 0 BCABHN CN1CCN(C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2O)CC1 ZINC000019864899 173085216 /nfs/dbraw/zinc/08/52/16/173085216.db2.gz IDFLGISJMLVIIA-VOAKCMCISA-N 0 3 224.348 0.641 40 0 BCABHN CN1CCO[C@@H](N2CCOCC2)C(C)(C)C1 ZINC000031771621 173103252 /nfs/dbraw/zinc/10/32/52/173103252.db2.gz BYVNEBGBBCYIQI-LLVKDONJSA-N 0 3 228.336 0.633 40 0 BCABHN CN1CC[C@@H](c2cc(CCO)ncn2)C1 ZINC000072383154 173128576 /nfs/dbraw/zinc/12/85/76/173128576.db2.gz UINSGVJDOIQFCN-SECBINFHSA-N 0 3 207.277 0.431 40 0 BCABHN CN1C[C@@H]2c3ccccc3N[C@@H]2[C@H](O)C1 ZINC000003847380 173190726 /nfs/dbraw/zinc/19/07/26/173190726.db2.gz LZVSIYWYYWXNDN-JLLWLGSASA-N 0 3 204.273 0.871 40 0 BCABHN CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000072343368 173300208 /nfs/dbraw/zinc/30/02/08/173300208.db2.gz AAMKNTZLEQBOHU-LBPRGKRZSA-N 0 3 233.315 0.206 40 0 BCABHN CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1 ZINC000072343371 173308321 /nfs/dbraw/zinc/30/83/21/173308321.db2.gz KZZKZJMGUULACR-CYBMUJFWSA-N 0 3 247.342 0.249 40 0 BCABHN CNCC(=O)N1CCC(COC)CC1 ZINC000069633046 173324974 /nfs/dbraw/zinc/32/49/74/173324974.db2.gz BVXYKSPERLVAHX-UHFFFAOYSA-N 0 3 200.282 0.091 40 0 BCABHN CNCC(=O)N1CCC[C@H]1c1n[nH]cc1C ZINC000072361459 173326305 /nfs/dbraw/zinc/32/63/05/173326305.db2.gz YAHYLCDAHSHAMX-VIFPVBQESA-N 0 3 222.292 0.601 40 0 BCABHN COC(=O)[C@H]1CNC[C@H](C(F)(F)F)C1 ZINC000116181692 173823455 /nfs/dbraw/zinc/82/34/55/173823455.db2.gz ZFYKDGRNKLVWMO-PHDIDXHHSA-N 0 3 211.183 0.947 40 0 BCABHN COCCNCC(=O)N1CCC(C)CC1 ZINC000004969259 174331643 /nfs/dbraw/zinc/33/16/43/174331643.db2.gz OFQIBUGBZSOROP-UHFFFAOYSA-N 0 3 214.309 0.481 40 0 BCABHN COc1ccc2[nH]nc(N3CCNCC3)c2c1 ZINC000026894033 175203246 /nfs/dbraw/zinc/20/32/46/175203246.db2.gz KZQHKKCYKKKVKS-UHFFFAOYSA-N 0 3 232.287 0.981 40 0 BCABHN COc1ccccc1O[C@@H]1COC[C@H]1N ZINC000218680515 175342557 /nfs/dbraw/zinc/34/25/57/175342557.db2.gz XIYXTVMUMMXJEK-LDYMZIIASA-N 0 3 209.245 0.800 40 0 BCABHN COc1ccccc1[C@@H]1C[C@H](N)C(=O)N1 ZINC000218688183 175349963 /nfs/dbraw/zinc/34/99/63/175349963.db2.gz MZEXRQYTWQXKJH-IUCAKERBSA-N 0 3 206.245 0.584 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1C ZINC000072397672 176324903 /nfs/dbraw/zinc/32/49/03/176324903.db2.gz JNZVIYABDNXLCR-MRVWCRGKSA-N 0 3 249.358 0.664 40 0 BCABHN C[C@H](N)C(=O)N(Cc1cnccn1)C1CC1 ZINC000079435701 176746785 /nfs/dbraw/zinc/74/67/85/176746785.db2.gz GBKLDVSQTCXQES-QMMMGPOBSA-N 0 3 220.276 0.315 40 0 BCABHN C[C@H]1CCC[C@@H](C(=O)N2CCOCC2)N1 ZINC000019508994 177112965 /nfs/dbraw/zinc/11/29/65/177112965.db2.gz JAMLLYGTOFUBRU-UWVGGRQHSA-N 0 3 212.293 0.376 40 0 BCABHN C[C@H]1CCc2nn(CCN)c(=O)cc2C1 ZINC000095097584 177210141 /nfs/dbraw/zinc/21/01/41/177210141.db2.gz GYTBRBTXDCZDMU-QMMMGPOBSA-N 0 3 207.277 0.327 40 0 BCABHN CCN1C(=O)C[C@H](N)[C@@H]1c1cccnc1 ZINC000062209184 323090943 /nfs/dbraw/zinc/09/09/43/323090943.db2.gz BNMDHNOQLYQAMN-ONGXEEELSA-N 0 3 205.261 0.702 40 0 BCABHN Cc1cncc(O[C@@H]2CCOC3(CNC3)C2)n1 ZINC000253601081 526209437 /nfs/dbraw/zinc/20/94/37/526209437.db2.gz ITCGWDLUEMUTRX-SNVBAGLBSA-N 0 3 235.287 0.685 40 0 BCABHN c1c2c(nnc1N1CCSCC1)CCNC2 ZINC000229011766 526401025 /nfs/dbraw/zinc/40/10/25/526401025.db2.gz FZOSYKVNNVTFEH-UHFFFAOYSA-N 0 3 236.344 0.676 40 0 BCABHN O=C(CNC[C@H]1CCCO1)NC[C@@H]1CCCO1 ZINC000004969111 526882164 /nfs/dbraw/zinc/88/21/64/526882164.db2.gz VGQDCTHHWXJXJC-MNOVXSKESA-N 0 3 242.319 0.050 40 0 BCABHN O=C(CNC[C@H]1CCCO1)NC[C@H]1CCCO1 ZINC000004969115 526882873 /nfs/dbraw/zinc/88/28/73/526882873.db2.gz VGQDCTHHWXJXJC-GHMZBOCLSA-N 0 3 242.319 0.050 40 0 BCABHN COc1ccc2c(c1)C[C@@H](CN)C(=O)N2C ZINC000064874355 259313270 /nfs/dbraw/zinc/31/32/70/259313270.db2.gz WHYYKDIYSIECRR-VIFPVBQESA-N 0 3 220.272 0.789 40 0 BCABHN Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cn1 ZINC000257277341 178398355 /nfs/dbraw/zinc/39/83/55/178398355.db2.gz NXPKMUPKFAQLDG-VXGBXAGGSA-N 0 3 249.314 0.137 40 0 BCABHN O=c1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)[n-]1 ZINC000072207554 259315149 /nfs/dbraw/zinc/31/51/49/259315149.db2.gz JMXXAQYGEFKPCR-SECBINFHSA-N 0 3 220.276 0.467 40 0 BCABHN O=c1ccnc(N2CC[N@H+]3CCC[C@@H]3C2)[n-]1 ZINC000072207554 259315150 /nfs/dbraw/zinc/31/51/50/259315150.db2.gz JMXXAQYGEFKPCR-SECBINFHSA-N 0 3 220.276 0.467 40 0 BCABHN Cc1nc(N2CCNCC2)ccc1C=O ZINC000072224611 259322116 /nfs/dbraw/zinc/32/21/16/259322116.db2.gz XPOQZVQTMWMFBI-UHFFFAOYSA-N 0 3 205.261 0.612 40 0 BCABHN N[C@H]1CS[C@@H](c2cccs2)CNC1=O ZINC000022048669 343037612 /nfs/dbraw/zinc/03/76/12/343037612.db2.gz JIKPFDXBWSSTCF-POYBYMJQSA-N 0 3 228.342 0.980 40 0 in-vitro BCABHN COc1ccc([C@@H]([NH3+])C[C@@H](N)C(=O)[O-])cc1 ZINC000259411628 343109975 /nfs/dbraw/zinc/10/99/75/343109975.db2.gz MFPGGPHTGGNYLI-VHSXEESVSA-N 0 3 224.260 0.497 40 0 BCABHN COc1ccc([C@@H](N)C[C@@H]([NH3+])C(=O)[O-])cc1 ZINC000259411628 343109976 /nfs/dbraw/zinc/10/99/76/343109976.db2.gz MFPGGPHTGGNYLI-VHSXEESVSA-N 0 3 224.260 0.497 40 0 BCABHN COC(=O)[C@@H](C)CNCc1ccncc1 ZINC000035133524 343286325 /nfs/dbraw/zinc/28/63/25/343286325.db2.gz ZHPRDCKCMOXKIN-VIFPVBQESA-N 0 3 208.261 0.980 40 0 BCABHN Cc1cccc(CS(=O)(=O)CCN)c1 ZINC000036720666 343323106 /nfs/dbraw/zinc/32/31/06/343323106.db2.gz FPPHGYRJTIGDPX-UHFFFAOYSA-N 0 3 213.302 0.869 40 0 BCABHN C[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000019517635 343774012 /nfs/dbraw/zinc/77/40/12/343774012.db2.gz DURQDVSZIQMHOE-SSDOTTSWSA-N 0 3 210.302 0.980 40 0 BCABHN CO[C@H]1C[NH2+][C@H](c2nc3ncccc3c(=O)[n-]2)C1 ZINC000253536284 349853288 /nfs/dbraw/zinc/85/32/88/349853288.db2.gz MNAQGCZPJANLRK-APPZFPTMSA-N 0 3 246.270 0.780 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCC[C@H](CO)C1 ZINC000036227408 343779593 /nfs/dbraw/zinc/77/95/93/343779593.db2.gz MTHBCEPULQLQCR-QWRGUYRKSA-N 0 3 226.320 0.359 40 0 BCABHN NCc1cn(CCc2ccccc2)nn1 ZINC000050224568 343782801 /nfs/dbraw/zinc/78/28/01/343782801.db2.gz UFQPHKRVFKCFPV-UHFFFAOYSA-N 0 3 202.261 0.980 40 0 BCABHN OCCN1CCN(c2ccncc2)CC1 ZINC000040452392 343783981 /nfs/dbraw/zinc/78/39/81/343783981.db2.gz AASBNVINWUUUPH-UHFFFAOYSA-N 0 3 207.277 0.196 40 0 BCABHN CC(C)N1CCO[C@]2(CCCNC2)C1=O ZINC000409428079 343802653 /nfs/dbraw/zinc/80/26/53/343802653.db2.gz YUAMPBMUINONTK-NSHDSACASA-N 0 3 212.293 0.376 40 0 BCABHN CNc1cc(C)nc(N2CCNCC2)n1 ZINC000106888596 343785865 /nfs/dbraw/zinc/78/58/65/343785865.db2.gz OFYMZCKAYBRNND-UHFFFAOYSA-N 0 3 207.281 0.236 40 0 BCABHN CCCCN(CC)C(=O)Cn1cc(CN)nn1 ZINC000122996708 343786675 /nfs/dbraw/zinc/78/66/75/343786675.db2.gz KJOYJLJGQSSNNY-UHFFFAOYSA-N 0 3 239.323 0.385 40 0 BCABHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1O ZINC000126884973 343787803 /nfs/dbraw/zinc/78/78/03/343787803.db2.gz MVXOZMYFRWUVNV-OUAUKWLOSA-N 0 3 226.320 0.358 40 0 BCABHN N=C(CN1CCC[C@@H](C(F)F)C1)NO ZINC000409428395 343803119 /nfs/dbraw/zinc/80/31/19/343803119.db2.gz MJDFBXFWLWANCS-ZCFIWIBFSA-N 0 3 207.224 0.920 40 0 BCABHN NCC(=O)N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409427044 343800148 /nfs/dbraw/zinc/80/01/48/343800148.db2.gz JICSIEFMJINUKJ-RQJHMYQMSA-N 0 3 204.220 0.449 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC(CF)C1 ZINC000409427180 343800218 /nfs/dbraw/zinc/80/02/18/343800218.db2.gz JWVADTOGHQFTSJ-SECBINFHSA-N 0 3 200.257 0.556 40 0 BCABHN CCCN1CC(Cn2cc(CO)nn2)C1 ZINC000409427625 343801762 /nfs/dbraw/zinc/80/17/62/343801762.db2.gz WPIJDSKRCXRACA-UHFFFAOYSA-N 0 3 210.281 0.112 40 0 BCABHN CC1CCN(C(=O)[C@H]2C[C@@H](F)CN2)CC1 ZINC000409424323 343817301 /nfs/dbraw/zinc/81/73/01/343817301.db2.gz UOEIHBGFHDIONA-NXEZZACHSA-N 0 3 214.284 0.945 40 0 BCABHN CCOC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC000409425067 343818175 /nfs/dbraw/zinc/81/81/75/343818175.db2.gz JIKYCKPMYZYOIE-SECBINFHSA-N 0 3 239.279 0.140 40 0 BCABHN N[C@@H](Cn1cc(CO)nn1)c1ccccc1 ZINC000409425213 343818726 /nfs/dbraw/zinc/81/87/26/343818726.db2.gz KABXGXPCGSEDKL-NSHDSACASA-N 0 3 218.260 0.470 40 0 BCABHN COC1(C(F)(F)F)CN(CC(=N)NO)C1 ZINC000409425527 343819728 /nfs/dbraw/zinc/81/97/28/343819728.db2.gz AMFYNSMNFDSNLT-UHFFFAOYSA-N 0 3 227.186 0.206 40 0 BCABHN C[C@@H](N)C(=O)N1C[C@@H](CO)C2(CCCC2)C1 ZINC000409425546 343819952 /nfs/dbraw/zinc/81/99/52/343819952.db2.gz AQBIFZYZNZRPBL-ZJUUUORDSA-N 0 3 226.320 0.345 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCCC[C@@]2(COC)C1 ZINC000409425709 343820491 /nfs/dbraw/zinc/82/04/91/343820491.db2.gz BDYYKHLLAJAWSV-AAEUAGOBSA-N 0 3 240.347 0.871 40 0 BCABHN CCOC[C@@H]1CC(F)(F)CN1C(=O)CNC ZINC000409425930 343821020 /nfs/dbraw/zinc/82/10/20/343821020.db2.gz BHDJIXFESILQIL-QMMMGPOBSA-N 0 3 236.262 0.479 40 0 BCABHN CCCN1CC[C@@H](n2cc(C=O)nn2)C1 ZINC000409426274 343822086 /nfs/dbraw/zinc/82/20/86/343822086.db2.gz PKLRMWZTMKDANO-SNVBAGLBSA-N 0 3 208.265 0.747 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CNC)CC1(C)C ZINC000409426281 343822091 /nfs/dbraw/zinc/82/20/91/343822091.db2.gz BWTGBFVQEBUVNL-JTQLQIEISA-N 0 3 228.336 0.727 40 0 BCABHN CNCC(=O)N1CC[C@@H](O)[C@@H](CC(C)C)C1 ZINC000409432287 343826127 /nfs/dbraw/zinc/82/61/27/343826127.db2.gz KXRIUKOJFHEQAM-WDEREUQCSA-N 0 3 228.336 0.461 40 0 BCABHN Cn1ccc([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000409432548 343827224 /nfs/dbraw/zinc/82/72/24/343827224.db2.gz WBBOYQCBKXGZNC-VIFPVBQESA-N 0 3 222.292 0.085 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@H]2CCCC[C@H]21 ZINC000409428615 343804207 /nfs/dbraw/zinc/80/42/07/343804207.db2.gz GTTXXLZCPUKFLO-HBNTYKKESA-N 0 3 226.320 0.751 40 0 BCABHN COC[C@@H]1CN(CC(=N)NO)CC1(C)C ZINC000409428588 343804300 /nfs/dbraw/zinc/80/43/00/343804300.db2.gz GSNYMXCJFLUGCJ-QMMMGPOBSA-N 0 3 215.297 0.547 40 0 BCABHN COC[C@H]1CN(CC(=N)NO)C[C@@H]1C ZINC000409429186 343805122 /nfs/dbraw/zinc/80/51/22/343805122.db2.gz OBZHUIZZQIPULA-JGVFFNPUSA-N 0 3 201.270 0.157 40 0 BCABHN N=C(CN1CCOC[C@@H]2CCC[C@@H]21)NO ZINC000409429735 343806650 /nfs/dbraw/zinc/80/66/50/343806650.db2.gz SCQGGXYGOIVDQR-IUCAKERBSA-N 0 3 213.281 0.443 40 0 BCABHN C[C@H](N)C(=O)N1CCC(c2ccn(C)n2)CC1 ZINC000409430021 343807288 /nfs/dbraw/zinc/80/72/88/343807288.db2.gz PWMJEOZRYRAGPK-VIFPVBQESA-N 0 3 236.319 0.473 40 0 BCABHN CC[C@@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409430245 343807513 /nfs/dbraw/zinc/80/75/13/343807513.db2.gz IGFWRAVIJFOWAJ-SFYZADRCSA-N 0 3 201.270 0.035 40 0 BCABHN CC[C@@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409430243 343807676 /nfs/dbraw/zinc/80/76/76/343807676.db2.gz IGFWRAVIJFOWAJ-HTQZYQBOSA-N 0 3 201.270 0.035 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@H]2CCC[C@@H]21 ZINC000409430519 343808807 /nfs/dbraw/zinc/80/88/07/343808807.db2.gz WMRPHXHGNYTAJZ-AEJSXWLSSA-N 0 3 212.293 0.361 40 0 BCABHN COC[C@@]12CN(C(=O)[C@H](C)N)C[C@H]1CCCC2 ZINC000409430856 343809291 /nfs/dbraw/zinc/80/92/91/343809291.db2.gz JFNNQWOSXKWIGE-DMDPSCGWSA-N 0 3 240.347 0.999 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCN(CCF)CC1 ZINC000402681841 343811615 /nfs/dbraw/zinc/81/16/15/343811615.db2.gz WEOSQXLGVQKPKN-NSHDSACASA-N 0 3 243.326 0.242 40 0 BCABHN CNCC(=O)N(C)C1CCSCC1 ZINC000403607562 343811644 /nfs/dbraw/zinc/81/16/44/343811644.db2.gz GYDIZWBZFSIJQV-UHFFFAOYSA-N 0 3 202.323 0.560 40 0 BCABHN C[C@@H](N)C(=O)N(C)C1CCSCC1 ZINC000403641629 343811776 /nfs/dbraw/zinc/81/17/76/343811776.db2.gz PRKIVONBYPTGKL-SSDOTTSWSA-N 0 3 202.323 0.688 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000409434096 343831104 /nfs/dbraw/zinc/83/11/04/343831104.db2.gz ZXVGYHOYOFINPG-PWSUYJOCSA-N 0 3 226.320 0.895 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCN(CC(=N)NO)C2)C1 ZINC000409434363 343831635 /nfs/dbraw/zinc/83/16/35/343831635.db2.gz OVJDXKKYNXZBCP-KOLCDFICSA-N 0 3 243.307 0.212 40 0 BCABHN CCOC[C@H]1CN(C(=O)CN)C[C@H]1C ZINC000409435667 343835108 /nfs/dbraw/zinc/83/51/08/343835108.db2.gz WCENHHVLZGMUGX-RKDXNWHRSA-N 0 3 200.282 0.076 40 0 BCABHN CCN(C(=O)CNC)C1CCSCC1 ZINC000409434985 343835616 /nfs/dbraw/zinc/83/56/16/343835616.db2.gz RTQUTKRGUTZTKD-UHFFFAOYSA-N 0 3 216.350 0.950 40 0 BCABHN CNCC(=O)N(CC1CC1)C1CCOCC1 ZINC000409436165 343838011 /nfs/dbraw/zinc/83/80/11/343838011.db2.gz YJQNQEVGYVAHQE-UHFFFAOYSA-N 0 3 226.320 0.623 40 0 BCABHN N=C(COc1ccc2c(c1)OCCO2)NO ZINC000409443794 343862982 /nfs/dbraw/zinc/86/29/82/343862982.db2.gz UJMJQQYTPYODOE-UHFFFAOYSA-N 0 3 224.216 0.793 40 0 BCABHN CNCc1cnn(CC(=O)N2CCCC2)c1 ZINC000585143087 344175919 /nfs/dbraw/zinc/17/59/19/344175919.db2.gz ZRIUEYLDDOTQMK-UHFFFAOYSA-N 0 3 222.292 0.225 40 0 BCABHN CCN1CCC2(CN(C(=O)c3ccnn3C)C2)C1 ZINC000585099355 344132101 /nfs/dbraw/zinc/13/21/01/344132101.db2.gz HGZQYBOOZGEFOM-UHFFFAOYSA-N 0 3 248.330 0.588 40 0 BCABHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1O ZINC000126902916 345145739 /nfs/dbraw/zinc/14/57/39/345145739.db2.gz MVXOZMYFRWUVNV-GMTAPVOTSA-N 0 3 226.320 0.358 40 0 BCABHN CN1CCCN(c2ccc(N)nn2)CC1 ZINC000159889924 345479682 /nfs/dbraw/zinc/47/96/82/345479682.db2.gz DPAIOXFQBNUENI-UHFFFAOYSA-N 0 3 207.281 0.201 40 0 BCABHN COc1ccccc1C(=O)N1CC(N)C1 ZINC000082590332 345909951 /nfs/dbraw/zinc/90/99/51/345909951.db2.gz WBPVAOGJHUKLMA-UHFFFAOYSA-N 0 3 206.245 0.478 40 0 BCABHN Cc1ccc(CC(=O)N2CC(N)C2)cc1 ZINC000082590425 345910171 /nfs/dbraw/zinc/91/01/71/345910171.db2.gz RHZVTXLDKLMZGW-UHFFFAOYSA-N 0 3 204.273 0.707 40 0 BCABHN CNCC(=O)N1CCCC[C@@H]1COC ZINC000083904180 345920231 /nfs/dbraw/zinc/92/02/31/345920231.db2.gz KHRJBFLBWDELAJ-SECBINFHSA-N 0 3 200.282 0.233 40 0 BCABHN CN1CCC(Nc2cc(N)ncn2)CC1 ZINC000087810400 345941830 /nfs/dbraw/zinc/94/18/30/345941830.db2.gz CCPCBZDAJQIRIY-UHFFFAOYSA-N 0 3 207.281 0.565 40 0 BCABHN Cc1cccc([C@H](C(N)=O)N2CCNCC2)c1 ZINC000037945603 179193609 /nfs/dbraw/zinc/19/36/09/179193609.db2.gz QGEICXJUIGXTNT-GFCCVEGCSA-N 0 3 233.315 0.427 40 0 BCABHN Cc1ccccc1N1CC[C@@H](CN)S1(=O)=O ZINC000222539821 179296539 /nfs/dbraw/zinc/29/65/39/179296539.db2.gz DDLSXKWFKVTREZ-JTQLQIEISA-N 0 3 240.328 0.862 40 0 BCABHN O=C([C@@H]1C[C@H](F)CN1)N1CCCCC1 ZINC000409422389 350132109 /nfs/dbraw/zinc/13/21/09/350132109.db2.gz DNLOQEUPNXEYLE-IUCAKERBSA-N 0 3 200.257 0.699 40 0 BCABHN Cc1nn(C)c(F)c1CNCCCCO ZINC000256051033 180351422 /nfs/dbraw/zinc/35/14/22/180351422.db2.gz HLJRXEBPZNEDED-UHFFFAOYSA-N 0 3 215.272 0.730 40 0 BCABHN CC(C)[C@H](N)C(=O)NCC(=O)c1ccco1 ZINC000079436298 188118370 /nfs/dbraw/zinc/11/83/70/188118370.db2.gz LQFRCPUJSBZZOF-JTQLQIEISA-N 0 3 224.260 0.562 40 0 BCABHN C[C@H](N)C(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000390499895 355350956 /nfs/dbraw/zinc/35/09/56/355350956.db2.gz UFLFCIGYMBWPKR-FXQIFTODSA-N 0 3 218.247 0.837 40 0 BCABHN NC(=O)[C@@H](N)CSCc1ccccc1 ZINC000006580378 181264688 /nfs/dbraw/zinc/26/46/88/181264688.db2.gz HPUPUEGTCQKFMH-VIFPVBQESA-N 0 3 210.302 0.732 40 0 BCABHN NC1(CO)COC2(CCCCC2)OC1 ZINC000001562259 181332713 /nfs/dbraw/zinc/33/27/13/181332713.db2.gz UFKSODHDXVGENY-UHFFFAOYSA-N 0 3 201.266 0.383 40 0 BCABHN NCCn1c(=O)c2cccn2c2cccnc21 ZINC000409422676 541317491 /nfs/dbraw/zinc/31/74/91/541317491.db2.gz JKUZXDGSLCLKJM-UHFFFAOYSA-N 0 3 228.255 0.608 40 0 BCABHN COCCNCc1cnn(CCOC)c1 ZINC000054720453 369091417 /nfs/dbraw/zinc/09/14/17/369091417.db2.gz FXFXSHWQCWNDNT-UHFFFAOYSA-N 0 3 213.281 0.266 40 0 BCABHN COC[C@@H]1C[C@@H](C)[C@@](CN)(S(C)(=O)=O)C1 ZINC000110770690 369978264 /nfs/dbraw/zinc/97/82/64/369978264.db2.gz CAVMLOLVHFUYAP-OPRDCNLKSA-N 0 3 235.349 0.421 40 0 BCABHN CCOc1cc2ncc(CN)c(C)n2n1 ZINC000225725652 259541782 /nfs/dbraw/zinc/54/17/82/259541782.db2.gz KDBQSJUKFJRFEG-UHFFFAOYSA-N 0 3 206.249 0.895 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@H](COC)C[C@H]1C ZINC000242463713 371159425 /nfs/dbraw/zinc/15/94/25/371159425.db2.gz DHXKYOXVOHXQKP-MXWKQRLJSA-N 0 3 249.376 0.811 40 0 BCABHN O=C(NC1CCC1)[C@H]1CCC2(CNC2)O1 ZINC000096078055 182105510 /nfs/dbraw/zinc/10/55/10/182105510.db2.gz VDXQDECMPTWUHC-SECBINFHSA-N 0 3 210.277 0.176 40 0 BCABHN O=C(NCC(F)(F)F)[C@]1(F)CCNC1 ZINC000306224419 182123535 /nfs/dbraw/zinc/12/35/35/182123535.db2.gz DJLOICJALOBOBC-LURJTMIESA-N 0 3 214.162 0.367 40 0 BCABHN OC1(O)CCN(Cc2ccccc2)CC1 ZINC000001727268 183023591 /nfs/dbraw/zinc/02/35/91/183023591.db2.gz BTJLRUAQWKTJAI-UHFFFAOYSA-N 0 3 207.273 0.963 40 0 BCABHN OCCN1CCC[C@@H](c2cc(CO)[nH]n2)C1 ZINC000072356860 183073662 /nfs/dbraw/zinc/07/36/62/183073662.db2.gz ITLCDDRHPCEMTE-SECBINFHSA-N 0 3 225.292 0.074 40 0 BCABHN OCCN1CCC[C@H](c2cc(CO)[nH]n2)C1 ZINC000072356861 183074031 /nfs/dbraw/zinc/07/40/31/183074031.db2.gz ITLCDDRHPCEMTE-VIFPVBQESA-N 0 3 225.292 0.074 40 0 BCABHN OCCn1nc(C(F)(F)F)c2c1CCNC2 ZINC000082810404 183102716 /nfs/dbraw/zinc/10/27/16/183102716.db2.gz RMVMOGYWUBNKDR-UHFFFAOYSA-N 0 3 235.209 0.540 40 0 BCABHN O[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000098181530 183207632 /nfs/dbraw/zinc/20/76/32/183207632.db2.gz SQZLCDHCXXQFNQ-LBPRGKRZSA-N 0 3 207.273 0.880 40 0 BCABHN O[C@]1(c2cccnc2)CN2CCC1CC2 ZINC000013740313 183252918 /nfs/dbraw/zinc/25/29/18/183252918.db2.gz APILBXBLRXLWNS-GFCCVEGCSA-N 0 3 204.273 0.995 40 0 BCABHN CCCN1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000019409616 169201636 /nfs/dbraw/zinc/20/16/36/169201636.db2.gz YUDFWHFONPZFHC-GFCCVEGCSA-N 0 3 239.363 0.683 40 0 BCABHN CCCNC1(Cc2cc(CCO)on2)COC1 ZINC000096296154 169254896 /nfs/dbraw/zinc/25/48/96/169254896.db2.gz OVTZTMXKHQHBDM-UHFFFAOYSA-N 0 3 240.303 0.521 40 0 biogenic,in-vitro BCABHN C[C@@H](N)C(=O)N1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409435286 383836518 /nfs/dbraw/zinc/83/65/18/383836518.db2.gz UBMISYHOOJPEQI-MNOVXSKESA-N 0 3 240.347 0.735 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000053245646 383846093 /nfs/dbraw/zinc/84/60/93/383846093.db2.gz QFDYLPOYYUJDDZ-QWRGUYRKSA-N 0 3 227.352 0.522 40 0 BCABHN CC(C)C[C@H]1CN(C(=O)CN)CC[C@@H]1O ZINC000409435325 383835000 /nfs/dbraw/zinc/83/50/00/383835000.db2.gz UDKJUQMRIYUWHP-UWVGGRQHSA-N 0 3 214.309 0.201 40 0 BCABHN CC1=NCCN1CN1C(=O)c2ccccc2C1=O ZINC000001661155 383918551 /nfs/dbraw/zinc/91/85/51/383918551.db2.gz PMLUDVUHPFBYAG-UHFFFAOYSA-N 0 3 243.266 0.974 40 0 BCABHN CC(=O)CC(=O)O[C@@H]1CN2CCC1CC2 ZINC000001730898 383931933 /nfs/dbraw/zinc/93/19/33/383931933.db2.gz SZFAZVMXRJOLKD-SNVBAGLBSA-N 0 3 211.261 0.603 40 0 BCABHN CN(C)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004174907 384042456 /nfs/dbraw/zinc/04/24/56/384042456.db2.gz SZBYGOAKJVWDOK-VLEAKVRGSA-N 0 3 234.299 0.355 40 0 BCABHN CC(C)C[C@H]1NC(=O)N(CCN(C)C)C1=O ZINC000004723069 384076936 /nfs/dbraw/zinc/07/69/36/384076936.db2.gz YSRURLXSDWRLLK-SECBINFHSA-N 0 3 227.308 0.515 40 0 BCABHN CCN(CCO)C[C@H]1CCCCN1C(C)=O ZINC000079405357 384134301 /nfs/dbraw/zinc/13/43/01/384134301.db2.gz ZAFLBPSYQREDNZ-GFCCVEGCSA-N 0 3 228.336 0.702 40 0 BCABHN CC(=O)N1CCCC[C@@H]1CN(CCO)C1CC1 ZINC000079405499 384134432 /nfs/dbraw/zinc/13/44/32/384134432.db2.gz XURCPMJPAHDEMD-CYBMUJFWSA-N 0 3 240.347 0.844 40 0 BCABHN CCN(C[C@@H]1CCCCN1C)C(=O)CN ZINC000079406895 384135522 /nfs/dbraw/zinc/13/55/22/384135522.db2.gz YCZVNHOWVMQCME-JTQLQIEISA-N 0 3 213.325 0.278 40 0 BCABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(C)C1 ZINC000079407303 384135864 /nfs/dbraw/zinc/13/58/64/384135864.db2.gz ADKSXRAGEQOHEM-QWRGUYRKSA-N 0 3 227.352 0.665 40 0 BCABHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCO)C1 ZINC000079407818 384136398 /nfs/dbraw/zinc/13/63/98/384136398.db2.gz TWHZPRPREHAIJU-SNVBAGLBSA-N 0 3 244.335 0.825 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C)C1 ZINC000079407368 384137024 /nfs/dbraw/zinc/13/70/24/384137024.db2.gz SXNOEKHZFPPOTM-WPRPVWTQSA-N 0 3 211.309 0.029 40 0 BCABHN CC(=O)N[C@H]1CCCC[C@@H]1N(C)CCO ZINC000079405312 384132799 /nfs/dbraw/zinc/13/27/99/384132799.db2.gz PAQWQXHHQFYBJS-QWRGUYRKSA-N 0 3 214.309 0.358 40 0 BCABHN C[C@H](N)C(=O)N(CC(=O)c1ccco1)C1CC1 ZINC000079436294 384146906 /nfs/dbraw/zinc/14/69/06/384146906.db2.gz VZTWPMFDNXPNCY-QMMMGPOBSA-N 0 3 236.271 0.801 40 0 BCABHN CCN(C(C)=O)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079417633 384138608 /nfs/dbraw/zinc/13/86/08/384138608.db2.gz FZCDCMSUTJPEGU-VIFPVBQESA-N 0 3 241.335 0.193 40 0 BCABHN CCN(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(C)=O ZINC000079417621 384139594 /nfs/dbraw/zinc/13/95/94/384139594.db2.gz MSENCACMILCQFF-GXSJLCMTSA-N 0 3 241.335 0.051 40 0 BCABHN CC(=O)N(C)C[C@H]1CCCCN1CCO ZINC000079416384 384140045 /nfs/dbraw/zinc/14/00/45/384140045.db2.gz RPVIIPWRQZPSBB-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN C[N@H+](C[C@@H]1CCCN(CC(=O)[O-])C1)C1CC1 ZINC000079419798 384143411 /nfs/dbraw/zinc/14/34/11/384143411.db2.gz ULYAPCMUSYDZBX-JTQLQIEISA-N 0 3 226.320 0.877 40 0 BCABHN C[N@@H+](C[C@@H]1CCCN(CC(=O)[O-])C1)C1CC1 ZINC000079419798 384143419 /nfs/dbraw/zinc/14/34/19/384143419.db2.gz ULYAPCMUSYDZBX-JTQLQIEISA-N 0 3 226.320 0.877 40 0 BCABHN CC(C)[N@H+](C)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079419724 384145399 /nfs/dbraw/zinc/14/53/99/384145399.db2.gz YYRIJCHTKCTATL-JTQLQIEISA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)[N@@H+](C)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079419724 384145407 /nfs/dbraw/zinc/14/54/07/384145407.db2.gz YYRIJCHTKCTATL-JTQLQIEISA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)N(C)C[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079419724 384145414 /nfs/dbraw/zinc/14/54/14/384145414.db2.gz YYRIJCHTKCTATL-JTQLQIEISA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)N(C)C[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079419724 384145418 /nfs/dbraw/zinc/14/54/18/384145418.db2.gz YYRIJCHTKCTATL-JTQLQIEISA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)(C)OC(=O)[C@H](O)[C@H]1CCCCN1 ZINC000072338673 384208485 /nfs/dbraw/zinc/20/84/85/384208485.db2.gz BBWPENHUNUJQKV-RKDXNWHRSA-N 0 3 215.293 0.831 40 0 BCABHN Nc1nc2c(cc1C(=O)N1CCCC1)CNCC2 ZINC000072352947 384211468 /nfs/dbraw/zinc/21/14/68/384211468.db2.gz YIMKLMHFTLRVER-UHFFFAOYSA-N 0 3 246.314 0.546 40 0 BCABHN C[C@H]1CN(c2cccc3[nH]c(=O)oc32)CCN1 ZINC000095092994 384363935 /nfs/dbraw/zinc/36/39/35/384363935.db2.gz DDVPSUFBMBTMMK-QMMMGPOBSA-N 0 3 233.271 0.919 40 0 BCABHN CC(=O)[C@H]1CN(c2ccncc2)CCO1 ZINC000095496226 384381377 /nfs/dbraw/zinc/38/13/77/384381377.db2.gz BBJHGSILXNXWPG-LLVKDONJSA-N 0 3 206.245 0.876 40 0 BCABHN CC(C)(C)OC(=O)N1CCCOC2(CNC2)C1 ZINC000095707198 384391075 /nfs/dbraw/zinc/39/10/75/384391075.db2.gz IBCUQKYSJDDKMC-UHFFFAOYSA-N 0 3 242.319 0.986 40 0 BCABHN CN(C)C[C@H]1CC2(CN(c3ncccn3)C2)CO1 ZINC000096239517 384446399 /nfs/dbraw/zinc/44/63/99/384446399.db2.gz OLTCDNRUMIMTIZ-LLVKDONJSA-N 0 3 248.330 0.634 40 0 BCABHN C(OCC1CC1)c1nnc2n1CCNCC2 ZINC000096084613 384433310 /nfs/dbraw/zinc/43/33/10/384433310.db2.gz CZTQKUZMJGUHIE-UHFFFAOYSA-N 0 3 222.292 0.350 40 0 BCABHN NC[C@H](O)c1ncccc1Br ZINC000083300748 384481715 /nfs/dbraw/zinc/48/17/15/384481715.db2.gz CIOGNUDZTNQTPI-LURJTMIESA-N 0 3 217.066 0.836 40 0 BCABHN NCc1cc(Br)c[nH]c1=O ZINC000082639241 384458105 /nfs/dbraw/zinc/45/81/05/384458105.db2.gz MJGBXYARSSULKR-UHFFFAOYSA-N 0 3 203.039 0.596 40 0 BCABHN FC(F)(F)c1nsc(N2CCNCC2)n1 ZINC000146151316 384491243 /nfs/dbraw/zinc/49/12/43/384491243.db2.gz FEBFYZRCKOJLKU-UHFFFAOYSA-N 0 3 238.238 0.967 40 0 BCABHN FC(F)(F)c1ccnc([C@@H]2CNCCN2)n1 ZINC000082046876 384643765 /nfs/dbraw/zinc/64/37/65/384643765.db2.gz AEIRRERMVZXZCD-LURJTMIESA-N 0 3 232.209 0.729 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1O ZINC000075629685 384646758 /nfs/dbraw/zinc/64/67/58/384646758.db2.gz REUNVCLBHFFYFH-YUMQZZPRSA-N 0 3 216.281 0.234 40 0 BCABHN Cn1ncc(CN)c1COCC(F)(F)F ZINC000408715278 384699438 /nfs/dbraw/zinc/69/94/38/384699438.db2.gz AMHXADDZKHGYON-UHFFFAOYSA-N 0 3 223.198 0.958 40 0 BCABHN CN(C)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000104388096 384828122 /nfs/dbraw/zinc/82/81/22/384828122.db2.gz XICBTWCTGMMXKS-UWVGGRQHSA-N 0 3 224.304 0.723 40 0 BCABHN CC(C)[C@@H]([NH3+])c1nnc(-c2cnccn2)[n-]1 ZINC000095534731 385047711 /nfs/dbraw/zinc/04/77/11/385047711.db2.gz UZPNCLWBCANIFG-MRVPVSSYSA-N 0 3 218.264 0.918 40 0 BCABHN Cc1nc(N)cc(N2CCN(C(C)C)CC2)n1 ZINC000129727171 385179869 /nfs/dbraw/zinc/17/98/69/385179869.db2.gz XHXKJVCJXVYMKN-UHFFFAOYSA-N 0 3 235.335 0.898 40 0 BCABHN [NH3+]Cc1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019340903 385217220 /nfs/dbraw/zinc/21/72/20/385217220.db2.gz RUPHEDYXOCWSBC-UHFFFAOYSA-N 0 3 202.217 0.291 40 0 BCABHN CC(C)C[C@@H](N)C(=O)N1CCOCC1 ZINC000019428708 385217769 /nfs/dbraw/zinc/21/77/69/385217769.db2.gz FTZZVVNECJDBDD-SECBINFHSA-N 0 3 200.282 0.219 40 0 BCABHN CCOc1ncc([C@@H](CN)N2CCCC2)cn1 ZINC000096511168 385250099 /nfs/dbraw/zinc/25/00/99/385250099.db2.gz ZQLPJKKBYPBKKM-LLVKDONJSA-N 0 3 236.319 0.971 40 0 BCABHN O=C1N[C@@]2(CCCNC2)N=C1c1ccc(F)cc1 ZINC000096516416 385257979 /nfs/dbraw/zinc/25/79/79/385257979.db2.gz ONGPFKCGCREMTK-CYBMUJFWSA-N 0 3 247.273 0.824 40 0 BCABHN CNC1CN(c2ncc(Br)cn2)C1 ZINC000307506307 385319774 /nfs/dbraw/zinc/31/97/74/385319774.db2.gz QOYMGJJPCPZTRO-UHFFFAOYSA-N 0 3 243.108 0.647 40 0 BCABHN C[C@H](N)C(=O)N1CCOc2ccc(F)cc2C1 ZINC000335057480 385321529 /nfs/dbraw/zinc/32/15/29/385321529.db2.gz GXGVWNDNYQLWCL-QMMMGPOBSA-N 0 3 238.262 0.894 40 0 BCABHN c1nc2nc(C3CC3)cc(N3CCNCC3)n2n1 ZINC000096515937 385259228 /nfs/dbraw/zinc/25/92/28/385259228.db2.gz SGLPKURJRSPYPC-UHFFFAOYSA-N 0 3 244.302 0.411 40 0 BCABHN Cn1c(=O)c2c(nc1N1CCCCC1)CCNC2 ZINC000096516464 385259689 /nfs/dbraw/zinc/25/96/89/385259689.db2.gz BKGXYOZNMNEENV-UHFFFAOYSA-N 0 3 248.330 0.416 40 0 BCABHN Cc1nc(N2CCC[C@@H](N)C2)n(C)c(=O)c1C ZINC000096516776 385261329 /nfs/dbraw/zinc/26/13/29/385261329.db2.gz DYODDMWGSGWBRG-SNVBAGLBSA-N 0 3 236.319 0.325 40 0 BCABHN CCS(=O)(=O)[C@@H](CO)[C@H](N)C(C)(C)C ZINC000096525287 385277164 /nfs/dbraw/zinc/27/71/64/385277164.db2.gz ZQGTXFFZPHBBLM-YUMQZZPRSA-N 0 3 223.338 0.155 40 0 BCABHN CCS(=O)(=O)[C@H](CO)[C@H](N)C(C)(C)C ZINC000096525289 385278187 /nfs/dbraw/zinc/27/81/87/385278187.db2.gz ZQGTXFFZPHBBLM-SFYZADRCSA-N 0 3 223.338 0.155 40 0 BCABHN C[C@H](Oc1ccccc1)C(=O)N1CC(N)C1 ZINC000409424439 385331476 /nfs/dbraw/zinc/33/14/76/385331476.db2.gz VBWANUJWZKHHMU-VIFPVBQESA-N 0 3 220.272 0.623 40 0 BCABHN CN(C)CCNCc1cnc(N2CCCC2)nc1 ZINC000062718493 385729021 /nfs/dbraw/zinc/72/90/21/385729021.db2.gz RGBBLVYJXVBIPM-UHFFFAOYSA-N 0 3 249.362 0.728 40 0 BCABHN NC[C@@H]1CCN(c2ccccc2)S1(=O)=O ZINC000222539655 386051686 /nfs/dbraw/zinc/05/16/86/386051686.db2.gz KWIYIIBSVIIFCK-JTQLQIEISA-N 0 3 226.301 0.554 40 0 BCABHN NC[C@H]1CCN(c2ccc(F)cc2)S1(=O)=O ZINC000222542567 386052295 /nfs/dbraw/zinc/05/22/95/386052295.db2.gz IQMSUWMFONKHDT-SNVBAGLBSA-N 0 3 244.291 0.693 40 0 BCABHN CCCCS[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000040166320 386182043 /nfs/dbraw/zinc/18/20/43/386182043.db2.gz FHKVCSJLPFKXSX-JGVFFNPUSA-N 0 3 223.363 0.644 40 0 BCABHN CNCc1ccc(C[C@@H]2CNC(=O)OC2)o1 ZINC000218690784 386365061 /nfs/dbraw/zinc/36/50/61/386365061.db2.gz WWHVYPVCNDXPGY-MRVPVSSYSA-N 0 3 224.260 0.898 40 0 BCABHN CC(C)(C)OC(=O)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC000095616484 386521371 /nfs/dbraw/zinc/52/13/71/386521371.db2.gz SZLUJRHLIZAWGS-UWVGGRQHSA-N 0 3 242.319 0.672 40 0 BCABHN c1cnc(OC[C@@H]2CC[C@@H]3NCCO[C@H]23)nc1 ZINC000096082507 387016637 /nfs/dbraw/zinc/01/66/37/387016637.db2.gz IUKIDKVALJOGET-GARJFASQSA-N 0 3 235.287 0.622 40 0 BCABHN c1cnc(NC[C@@H]2CC[C@@H]3NCCO[C@H]23)nc1 ZINC000096250332 387025733 /nfs/dbraw/zinc/02/57/33/387025733.db2.gz ODIXYWNYEWLQJR-GARJFASQSA-N 0 3 234.303 0.656 40 0 BCABHN Cc1nc(OC(C)C)cc(N2CCNCC2)n1 ZINC000206580146 387480109 /nfs/dbraw/zinc/48/01/09/387480109.db2.gz QBCIANUXAZWHBB-UHFFFAOYSA-N 0 3 236.319 0.982 40 0 BCABHN Cn1ccc(CNCCCN2CCOCC2)n1 ZINC000112337456 387851059 /nfs/dbraw/zinc/85/10/59/387851059.db2.gz DLDQHNWJRBDMSV-UHFFFAOYSA-N 0 3 238.335 0.232 40 0 BCABHN O=S(=O)([N-]C1CC[NH2+]CC1)c1ccccn1 ZINC000067800773 387855342 /nfs/dbraw/zinc/85/53/42/387855342.db2.gz SKYHTNLGAJLAGK-UHFFFAOYSA-N 0 3 241.316 0.112 40 0 BCABHN CC(C)(C)OC(=O)[C@@H](N)[C@@H]1CCCCN1 ZINC000071605952 388509211 /nfs/dbraw/zinc/50/92/11/388509211.db2.gz CCCVEWRCGHNEHF-IUCAKERBSA-N 0 3 214.309 0.798 40 0 BCABHN CN(C[C@H]1COc2ccccc2O1)C(=O)CN ZINC000040430764 388610323 /nfs/dbraw/zinc/61/03/23/388610323.db2.gz IIDAQWATZUXDNN-VIFPVBQESA-N 0 3 236.271 0.244 40 0 BCABHN c1cnc(NC[C@@H]2CC[C@H]3NCCO[C@H]32)nc1 ZINC000248053999 388625078 /nfs/dbraw/zinc/62/50/78/388625078.db2.gz ODIXYWNYEWLQJR-AXFHLTTASA-N 0 3 234.303 0.656 40 0 BCABHN CC(C)Nc1ncc(CNC[C@H](C)O)cn1 ZINC000062717655 388655675 /nfs/dbraw/zinc/65/56/75/388655675.db2.gz VMGWXZQBMNGTET-VIFPVBQESA-N 0 3 224.308 0.767 40 0 BCABHN Nc1ncc(CNCCCCCO)cn1 ZINC000062717409 388655702 /nfs/dbraw/zinc/65/57/02/388655702.db2.gz KKVNECGBSKRIDN-UHFFFAOYSA-N 0 3 210.281 0.311 40 0 BCABHN Nc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717397 388655868 /nfs/dbraw/zinc/65/58/68/388655868.db2.gz VHEOPBYDDPKRRQ-UHFFFAOYSA-N 0 3 232.291 0.435 40 0 BCABHN CC[C@@H](C)NC(=O)[C@H](N)CCSC ZINC000062725433 388656460 /nfs/dbraw/zinc/65/64/60/388656460.db2.gz KWXGXWXKTAJIFI-HTQZYQBOSA-N 0 3 204.339 0.982 40 0 BCABHN COc1ccc([C@H](N)c2nc(CO)n[nH]2)cc1 ZINC000095533770 388777972 /nfs/dbraw/zinc/77/79/72/388777972.db2.gz XNEGSSLEOMSKQO-JTQLQIEISA-N 0 3 234.259 0.354 40 0 BCABHN C[C@@H](N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000019425237 132324824 /nfs/dbraw/zinc/32/48/24/132324824.db2.gz QKIBIWMOMLGLDE-LLVKDONJSA-N 0 3 233.315 0.682 40 0 BCABHN C[C@H](N)C(=O)N1CCN(C2CCC2)CC1 ZINC000261584349 135225300 /nfs/dbraw/zinc/22/53/00/135225300.db2.gz PRSINHMGGDOQEU-VIFPVBQESA-N 0 3 211.309 0.030 40 0 BCABHN C[C@@H]1CN(c2nccnc2Cl)CCN1 ZINC000091301473 398127589 /nfs/dbraw/zinc/12/75/89/398127589.db2.gz KGJLYLJNFYGNNH-SSDOTTSWSA-N 0 3 212.684 0.928 40 0 BCABHN CC1=CC[C@H]2C(=O)N(CCN(C)C)C(=O)[C@@H]2C1 ZINC000031937792 168121405 /nfs/dbraw/zinc/12/14/05/168121405.db2.gz SWNTWUKNTCTSEN-GHMZBOCLSA-N 0 3 236.315 0.889 40 0 BCABHN CCN1C[C@H]2C[C@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000096252835 170040569 /nfs/dbraw/zinc/04/05/69/170040569.db2.gz ODHYWYIQAHRMKI-KXUCPTDWSA-N 0 3 212.293 0.184 40 0 BCABHN CCOC(=O)Cc1nc2c([nH]1)CNCC2 ZINC000091691797 170236693 /nfs/dbraw/zinc/23/66/93/170236693.db2.gz RNLYLZPZVHHFGF-UHFFFAOYSA-N 0 3 209.249 0.161 40 0 BCABHN CCOC(=O)[C@@]1(CN)CC[C@@H](S(C)(=O)=O)C1 ZINC000217935965 170263597 /nfs/dbraw/zinc/26/35/97/170263597.db2.gz OJHUGMCOKXBAJZ-SCZZXKLOSA-N 0 3 249.332 0.092 40 0 BCABHN CCOC(=O)c1[n-]c(=O)[nH]c1CSC(N)=[NH2+] ZINC000004903353 170286474 /nfs/dbraw/zinc/28/64/74/170286474.db2.gz RNYFWXVXEGCNLJ-UHFFFAOYSA-N 0 3 244.276 0.006 40 0 BCABHN CCOC(CN[C@H](C)CC(=O)OC)OCC ZINC000047219191 170316010 /nfs/dbraw/zinc/31/60/10/170316010.db2.gz YMTHNALRXLCTJK-SECBINFHSA-N 0 3 233.308 0.927 40 0 BCABHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCCO1 ZINC000242574895 171371015 /nfs/dbraw/zinc/37/10/15/171371015.db2.gz NIKPPDXTUAZYJI-IVZWLZJFSA-N 0 3 214.309 0.655 40 0 BCABHN CN1CCN(C)[C@H](N2CCOCC2)C(C)(C)C1 ZINC000019319121 173076044 /nfs/dbraw/zinc/07/60/44/173076044.db2.gz RVCSNTWDXXYQON-GFCCVEGCSA-N 0 3 241.379 0.548 40 0 BCABHN CN1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096083626 173199244 /nfs/dbraw/zinc/19/92/44/173199244.db2.gz UHYMYTGXFFONFD-GRYCIOLGSA-N 0 3 247.298 0.739 40 0 BCABHN CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1 ZINC000072343370 173299890 /nfs/dbraw/zinc/29/98/90/173299890.db2.gz KZZKZJMGUULACR-ZDUSSCGKSA-N 0 3 247.342 0.249 40 0 BCABHN CNC(=O)[C@@]1(c2ccccn2)CCCN1 ZINC000072344022 173300841 /nfs/dbraw/zinc/30/08/41/173300841.db2.gz JSXJDBRJCWKLPP-NSHDSACASA-N 0 3 205.261 0.406 40 0 BCABHN CNC(=O)c1cc(C[C@@H]2CCCN(C)C2)ncn1 ZINC000257324414 173309552 /nfs/dbraw/zinc/30/95/52/173309552.db2.gz WOOWMQRJFOWBPB-JTQLQIEISA-N 0 3 248.330 0.721 40 0 BCABHN CNCC(=O)N1CCC[C@@H]1c1nc(C)cc(C)n1 ZINC000257242734 173325976 /nfs/dbraw/zinc/32/59/76/173325976.db2.gz IDXFVWYSKXODHY-LLVKDONJSA-N 0 3 248.330 0.976 40 0 BCABHN CNCC(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 ZINC000257310248 173326620 /nfs/dbraw/zinc/32/66/20/173326620.db2.gz UEJLOSOSKMLOHX-JTQLQIEISA-N 0 3 236.319 0.644 40 0 BCABHN CNCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000072361449 173326912 /nfs/dbraw/zinc/32/69/12/173326912.db2.gz FDDHCTIZXXUXMD-UHFFFAOYSA-N 0 3 222.292 0.335 40 0 BCABHN CNCC(=O)N1CCC[C@@H]1c1n[nH]cc1C ZINC000072361460 173327087 /nfs/dbraw/zinc/32/70/87/173327087.db2.gz YAHYLCDAHSHAMX-SECBINFHSA-N 0 3 222.292 0.601 40 0 BCABHN COCCCNC(=O)C1=CCCN(C)C1 ZINC000001614952 174237297 /nfs/dbraw/zinc/23/72/97/174237297.db2.gz RXBVCQCVRFTVMB-UHFFFAOYSA-N 0 3 212.293 0.401 40 0 BCABHN COCCN1CCc2ccc(=O)[nH]c2CC1 ZINC000096067723 174315818 /nfs/dbraw/zinc/31/58/18/174315818.db2.gz QQOVMPNMQPAODD-UHFFFAOYSA-N 0 3 222.288 0.422 40 0 BCABHN COc1cc([C@H](N)CO)cc(OC)c1OC ZINC000038124681 175016991 /nfs/dbraw/zinc/01/69/91/175016991.db2.gz MEKREUQWGLLGPM-MRVPVSSYSA-N 0 3 227.260 0.705 40 0 BCABHN COc1ccc(-n2cc(CN)nn2)cc1OC ZINC000062261021 175044358 /nfs/dbraw/zinc/04/43/58/175044358.db2.gz CJJNIVFTKYZGLE-UHFFFAOYSA-N 0 3 234.259 0.743 40 0 BCABHN C[C@@H]1CN(CCCO)[C@H](C)CN1CCCO ZINC000022587372 176289026 /nfs/dbraw/zinc/28/90/26/176289026.db2.gz IWKQAKRPXVCLLA-VXGBXAGGSA-N 0 3 230.352 0.146 40 0 BCABHN C[C@H](c1cnccn1)N(C(=O)CN)C1CC1 ZINC000079435616 177051833 /nfs/dbraw/zinc/05/18/33/177051833.db2.gz GEBZUQFJMOKCDD-MRVPVSSYSA-N 0 3 220.276 0.487 40 0 BCABHN C[C@@H]1CCC[C@H](C)N1C(=O)CNCCN(C)C ZINC000022931219 177114729 /nfs/dbraw/zinc/11/47/29/177114729.db2.gz XOGTXDKRSNGZNS-TXEJJXNPSA-N 0 3 241.379 0.927 40 0 BCABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccn1 ZINC000072397592 177280707 /nfs/dbraw/zinc/28/07/07/177280707.db2.gz NIPJIWZVCCFHQE-IACUBPJLSA-N 0 3 247.342 0.721 40 0 BCABHN CN1CC[C@@H](O)[C@@H](Cc2ccncc2)C1 ZINC000169975254 487794017 /nfs/dbraw/zinc/79/40/17/487794017.db2.gz JKERHQVRJCSDMC-NWDGAFQWSA-N 0 3 206.289 0.937 40 0 BCABHN c1nc2c(c(N3CCNCC3)n1)CCC2 ZINC000061275929 323090690 /nfs/dbraw/zinc/09/06/90/323090690.db2.gz LPUNPYGXIVUFEM-UHFFFAOYSA-N 0 3 204.277 0.375 40 0 BCABHN CCN1C(=O)C[C@H](N)[C@H]1c1cccnc1 ZINC000062209183 323090915 /nfs/dbraw/zinc/09/09/15/323090915.db2.gz BNMDHNOQLYQAMN-GXSJLCMTSA-N 0 3 205.261 0.702 40 0 BCABHN CS(=O)(=O)c1cccc([C@@H](N)CO)c1 ZINC000072198261 487995179 /nfs/dbraw/zinc/99/51/79/487995179.db2.gz NWIHYKJMGYEDRI-VIFPVBQESA-N 0 3 215.274 0.082 40 0 BCABHN CC(=O)N(C[C@H]1CCCN(CCO)C1)C1CC1 ZINC000079416593 519464741 /nfs/dbraw/zinc/46/47/41/519464741.db2.gz GEECQJQALSBKJK-LBPRGKRZSA-N 0 3 240.347 0.702 40 0 BCABHN COC(=O)c1ccc(C(=O)OC)c(CN)c1 ZINC000228965300 521979122 /nfs/dbraw/zinc/97/91/22/521979122.db2.gz WKDMVBHJCDKJCT-UHFFFAOYSA-N 0 3 223.228 0.719 40 0 BCABHN CCN(CC)CC(=O)N1CCOCC1 ZINC000001671749 342707983 /nfs/dbraw/zinc/70/79/83/342707983.db2.gz GPKZFFVWUPVREE-UHFFFAOYSA-N 0 3 200.282 0.187 40 0 BCABHN COC(=O)[C@@]1(O)C[C@@H](C)N(C)C[C@H]1C ZINC000003901844 342739512 /nfs/dbraw/zinc/73/95/12/342739512.db2.gz FVNFPDGQPQTTTR-NQMVMOMDSA-N 0 3 201.266 0.251 40 0 BCABHN N[C@H]1CC(=O)N(CCc2cccs2)C1 ZINC000035679885 342754733 /nfs/dbraw/zinc/75/47/33/342754733.db2.gz AYTGAKUVKDRRCM-QMMMGPOBSA-N 0 3 210.302 0.850 40 0 BCABHN O=c1[nH]c2ccccc2c(=O)n1[C@@H]1CCCCN1 ZINC000005387704 342763098 /nfs/dbraw/zinc/76/30/98/342763098.db2.gz CPKCFIKGHOZYLU-LLVKDONJSA-N 0 3 245.282 0.962 40 0 BCABHN C[C@@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000004723031 342751251 /nfs/dbraw/zinc/75/12/51/342751251.db2.gz MDJPOHDQJZNIOZ-JFUSQASVSA-N 0 3 207.273 0.615 40 0 BCABHN Cc1cc(N2CCNCC2)ncc1CO ZINC000072223568 259321505 /nfs/dbraw/zinc/32/15/05/259321505.db2.gz ODGHRQBIJCAWIA-UHFFFAOYSA-N 0 3 207.277 0.292 40 0 BCABHN c1cn2c(n1)CO[C@@H](CNCc1ccccn1)C2 ZINC000096296276 398317094 /nfs/dbraw/zinc/31/70/94/398317094.db2.gz DXOGINYAEDVOSW-LBPRGKRZSA-N 0 3 244.298 0.967 40 0 biogenic,in-vitro BCABHN COC(=O)c1cnc(N2CCNCC2)s1 ZINC000015809952 342901476 /nfs/dbraw/zinc/90/14/76/342901476.db2.gz NWHPWSRLTNLURY-UHFFFAOYSA-N 0 3 227.289 0.339 40 0 BCABHN OCCNCc1cccc2c1OCCO2 ZINC000036168344 343303593 /nfs/dbraw/zinc/30/35/93/343303593.db2.gz UNDOPGAUVUMGLK-UHFFFAOYSA-N 0 3 209.245 0.540 40 0 BCABHN COC(=O)[C@@H]1CNCCN1Cc1ccccc1 ZINC000045076904 343523230 /nfs/dbraw/zinc/52/32/30/343523230.db2.gz SQXCAHIDKZNQFO-LBPRGKRZSA-N 0 3 234.299 0.633 40 0 BCABHN CC[C@@H]([C@@H](N)C1CC1)S(=O)(=O)CC ZINC000096525002 343759425 /nfs/dbraw/zinc/75/94/25/343759425.db2.gz OYRZWLVQLNQWKZ-IUCAKERBSA-N 0 3 205.323 0.937 40 0 BCABHN Cn1ccc([C@H]2CCCN(CC(=N)NO)C2)n1 ZINC000409427947 343802100 /nfs/dbraw/zinc/80/21/00/343802100.db2.gz LECIKFCJVOWIQN-VIFPVBQESA-N 0 3 237.307 0.556 40 0 BCABHN C[C@@H](N)C(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409428151 343802448 /nfs/dbraw/zinc/80/24/48/343802448.db2.gz FZVNFXVZGPERIJ-HTRCEHHLSA-N 0 3 240.225 0.107 40 0 BCABHN NCc1cn(Cc2cn3ccccc3n2)nn1 ZINC000050224549 343782492 /nfs/dbraw/zinc/78/24/92/343782492.db2.gz PQZPHYCTUHJIRF-UHFFFAOYSA-N 0 3 228.259 0.433 40 0 BCABHN Cc1nc(N)cc(N2CCC(C(N)=O)CC2)n1 ZINC000127315209 343787406 /nfs/dbraw/zinc/78/74/06/343787406.db2.gz DRMLPKKHBGIMNB-UHFFFAOYSA-N 0 3 235.291 0.069 40 0 BCABHN N=C(CN1CC[C@]2(C1)CCCCO2)NO ZINC000409428345 343803128 /nfs/dbraw/zinc/80/31/28/343803128.db2.gz MFZSNOGBEDKPSH-JTQLQIEISA-N 0 3 213.281 0.587 40 0 BCABHN CN(c1ccc(=O)[nH]n1)C1CCN(C)CC1 ZINC000409426830 343799206 /nfs/dbraw/zinc/79/92/06/343799206.db2.gz GNZKUWUVXRUTBW-UHFFFAOYSA-N 0 3 222.292 0.713 40 0 BCABHN CNCC(=O)N1C[C@H](COC)C2(CCC2)C1 ZINC000409426912 343799401 /nfs/dbraw/zinc/79/94/01/343799401.db2.gz DBCQHMJPRXWNDV-SNVBAGLBSA-N 0 3 226.320 0.481 40 0 BCABHN CNCC(=O)N1CC[C@]2(C1)CCCCO2 ZINC000409427029 343799480 /nfs/dbraw/zinc/79/94/80/343799480.db2.gz JHEYGIYCUOPVBH-NSHDSACASA-N 0 3 212.293 0.377 40 0 BCABHN CC(F)(F)C1CCN(C(=O)CN)CC1 ZINC000409427470 343801045 /nfs/dbraw/zinc/80/10/45/343801045.db2.gz KKZDLSOAGJVNNI-UHFFFAOYSA-N 0 3 206.236 0.839 40 0 BCABHN C[N@@H+]1CCCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427543 343801112 /nfs/dbraw/zinc/80/11/12/343801112.db2.gz WCBXKXDUGHMFDS-SNVBAGLBSA-N 0 3 209.297 0.221 40 0 BCABHN CN1CCCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427543 343801117 /nfs/dbraw/zinc/80/11/17/343801117.db2.gz WCBXKXDUGHMFDS-SNVBAGLBSA-N 0 3 209.297 0.221 40 0 BCABHN C[N@@H+]1CCCC[C@H]1Cn1cc(CN)nn1 ZINC000409427535 343801123 /nfs/dbraw/zinc/80/11/23/343801123.db2.gz WCBXKXDUGHMFDS-JTQLQIEISA-N 0 3 209.297 0.221 40 0 BCABHN CN1CCCC[C@H]1Cn1cc(CN)nn1 ZINC000409427535 343801126 /nfs/dbraw/zinc/80/11/26/343801126.db2.gz WCBXKXDUGHMFDS-JTQLQIEISA-N 0 3 209.297 0.221 40 0 BCABHN N=C(CN1CCN([C@H]2CCSC2)CC1)NO ZINC000405518952 343812075 /nfs/dbraw/zinc/81/20/75/343812075.db2.gz VEBZRFUEOCMWLS-VIFPVBQESA-N 0 3 244.364 0.066 40 0 BCABHN CCN(CC(=N)NO)[C@H]1CCSC1 ZINC000405338085 343812175 /nfs/dbraw/zinc/81/21/75/343812175.db2.gz BFGUHUUJMYUCHK-ZETCQYMHSA-N 0 3 203.311 0.770 40 0 BCABHN CC(C)c1nn(CC2CC2)c(=O)n1C1CNC1 ZINC000409423279 343815390 /nfs/dbraw/zinc/81/53/90/343815390.db2.gz BEYDNUUAERPPSV-UHFFFAOYSA-N 0 3 236.319 0.723 40 0 BCABHN COC(=O)[C@@H]1CN(CC2CC2)CC[C@@H]1O ZINC000409423755 343816167 /nfs/dbraw/zinc/81/61/67/343816167.db2.gz USQIXVGBMPVIKR-ZJUUUORDSA-N 0 3 213.277 0.252 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1C ZINC000409423795 343816450 /nfs/dbraw/zinc/81/64/50/343816450.db2.gz ALPBTZBSCQIHOV-SRVKXCTJSA-N 0 3 240.347 0.869 40 0 BCABHN CNCC(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000409423970 343816802 /nfs/dbraw/zinc/81/68/02/343816802.db2.gz AXLWTLOPPQQFKX-GFCCVEGCSA-N 0 3 226.320 0.768 40 0 BCABHN CC1CCN(C(=O)[C@@H]2C[C@H](F)CN2)CC1 ZINC000409424324 343817332 /nfs/dbraw/zinc/81/73/32/343817332.db2.gz UOEIHBGFHDIONA-UWVGGRQHSA-N 0 3 214.284 0.945 40 0 BCABHN COc1cccc2c1CCN2C(=O)[C@H](C)N ZINC000409425045 343818098 /nfs/dbraw/zinc/81/80/98/343818098.db2.gz DVYPPHHKJVGAJY-QMMMGPOBSA-N 0 3 220.272 0.932 40 0 BCABHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1CO ZINC000409425165 343818814 /nfs/dbraw/zinc/81/88/14/343818814.db2.gz FIBAMPMNIFUWJG-MXWKQRLJSA-N 0 3 226.320 0.215 40 0 BCABHN O=C([C@@H]1CCCCN1)N1C[C@@H]2COC[C@H]2C1 ZINC000409425486 343819393 /nfs/dbraw/zinc/81/93/93/343819393.db2.gz GDXZMHHPUWMZLH-MXWKQRLJSA-N 0 3 224.304 0.233 40 0 BCABHN CNCC(=O)N1CCOC[C@H]2CCC[C@H]21 ZINC000409425588 343819779 /nfs/dbraw/zinc/81/97/79/343819779.db2.gz ALZOFVLAPARHRK-NXEZZACHSA-N 0 3 212.293 0.233 40 0 BCABHN CNCC(=O)N1CCOC[C@@H]2CCC[C@@H]21 ZINC000409425590 343819910 /nfs/dbraw/zinc/81/99/10/343819910.db2.gz ALZOFVLAPARHRK-UWVGGRQHSA-N 0 3 212.293 0.233 40 0 BCABHN CCOC1(C(F)(F)F)CN(C(=O)CN)C1 ZINC000409425530 343819922 /nfs/dbraw/zinc/81/99/22/343819922.db2.gz AMZCTMHURHYZBP-UHFFFAOYSA-N 0 3 226.198 0.125 40 0 BCABHN O=C([C@H]1CCCCN1)N1CC[C@@H](CF)C1 ZINC000409432219 343825841 /nfs/dbraw/zinc/82/58/41/343825841.db2.gz UXGQFCAYZYTAOZ-VHSXEESVSA-N 0 3 214.284 0.947 40 0 BCABHN CCO[C@@H]1CN(CC(=N)NO)C[C@@H]1OCC ZINC000409432416 343826243 /nfs/dbraw/zinc/82/62/43/343826243.db2.gz LHYRJTDAYYRYNA-DTORHVGOSA-N 0 3 231.296 0.068 40 0 BCABHN CNCC(=O)N1CCn2c(Cl)cnc2C1 ZINC000409428539 343803809 /nfs/dbraw/zinc/80/38/09/343803809.db2.gz GPZFSZNHALZRFT-UHFFFAOYSA-N 0 3 228.683 0.098 40 0 BCABHN CCOC[C@H]1CCN(CC(=N)NO)C1 ZINC000409428447 343803847 /nfs/dbraw/zinc/80/38/47/343803847.db2.gz MONUDMOQVGFLNR-QMMMGPOBSA-N 0 3 201.270 0.301 40 0 BCABHN COC[C@H]1CN(CC(=N)NO)CC1(C)C ZINC000409428587 343804110 /nfs/dbraw/zinc/80/41/10/343804110.db2.gz GSNYMXCJFLUGCJ-MRVPVSSYSA-N 0 3 215.297 0.547 40 0 BCABHN COc1ccc2c(c1)[C@@H](O)CC1(CNC1)O2 ZINC000409430576 343808523 /nfs/dbraw/zinc/80/85/23/343808523.db2.gz HCEZFABKQVBJMN-JTQLQIEISA-N 0 3 221.256 0.853 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@@H]2CCC[C@@H]21 ZINC000409430520 343808559 /nfs/dbraw/zinc/80/85/59/343808559.db2.gz WMRPHXHGNYTAJZ-GUBZILKMSA-N 0 3 212.293 0.361 40 0 BCABHN C[C@@H](O)[C@H]1CCCN(CC(=N)NO)C1 ZINC000409431065 343809626 /nfs/dbraw/zinc/80/96/26/343809626.db2.gz RPFQNNLYRYPHBG-SFYZADRCSA-N 0 3 201.270 0.035 40 0 BCABHN C[C@H](O)[C@@H]1CCCN(CC(=N)NO)C1 ZINC000409431063 343809736 /nfs/dbraw/zinc/80/97/36/343809736.db2.gz RPFQNNLYRYPHBG-JGVFFNPUSA-N 0 3 201.270 0.035 40 0 BCABHN COC[C@]12CN(C(=O)CN)C[C@H]1CCCC2 ZINC000409431168 343809885 /nfs/dbraw/zinc/80/98/85/343809885.db2.gz JNYRAWPLYWUZDL-PWSUYJOCSA-N 0 3 226.320 0.610 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000390499898 343810525 /nfs/dbraw/zinc/81/05/25/343810525.db2.gz UFLFCIGYMBWPKR-XLPZGREQSA-N 0 3 218.247 0.837 40 0 BCABHN C[C@@H](N)C(=O)N(C1CC1)[C@H]1CCSC1 ZINC000409432731 343827556 /nfs/dbraw/zinc/82/75/56/343827556.db2.gz LTFDIUJULUMFID-APPZFPTMSA-N 0 3 214.334 0.830 40 0 BCABHN Cc1nc(N)cc(N2CCC(CCO)CC2)n1 ZINC000401040916 343811718 /nfs/dbraw/zinc/81/17/18/343811718.db2.gz OYEOZYBKCRXOKE-UHFFFAOYSA-N 0 3 236.319 0.966 40 0 BCABHN CCOC[C@H]1CCCN1C(=O)CNC ZINC000409434098 343831035 /nfs/dbraw/zinc/83/10/35/343831035.db2.gz ZXXUIFOQAQSLDH-SECBINFHSA-N 0 3 200.282 0.233 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)[C@H](C)N)CC[C@H]1O ZINC000409433997 343831048 /nfs/dbraw/zinc/83/10/48/343831048.db2.gz NVPXUHFFSKDSHV-HBNTYKKESA-N 0 3 228.336 0.589 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCCN(C(=O)CN)C2)C1 ZINC000409434024 343831098 /nfs/dbraw/zinc/83/10/98/343831098.db2.gz NXMHDJLEXJYXOZ-PWSUYJOCSA-N 0 3 242.319 0.132 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H](C)N)CC12CCC2 ZINC000409434485 343831507 /nfs/dbraw/zinc/83/15/07/343831507.db2.gz PLAYOKFXBVZUCQ-ZJUUUORDSA-N 0 3 226.320 0.609 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCN(CC(=N)NO)C2)C1 ZINC000409434364 343831573 /nfs/dbraw/zinc/83/15/73/343831573.db2.gz OVJDXKKYNXZBCP-MWLCHTKSSA-N 0 3 243.307 0.212 40 0 BCABHN CO[C@H]1CCO[C@@]2(CCN(CC(=N)NO)C2)C1 ZINC000409434365 343831617 /nfs/dbraw/zinc/83/16/17/343831617.db2.gz OVJDXKKYNXZBCP-ONGXEEELSA-N 0 3 243.307 0.212 40 0 BCABHN CNCC(=O)N1CCC(C)(CF)CC1 ZINC000409433394 343832655 /nfs/dbraw/zinc/83/26/55/343832655.db2.gz MSVDEWIYALHMCW-UHFFFAOYSA-N 0 3 202.273 0.804 40 0 BCABHN C[C@H](N)C(=O)N1CCC(C)(CF)CC1 ZINC000409435349 343833095 /nfs/dbraw/zinc/83/30/95/343833095.db2.gz UFYOUYPKGLNVOB-QMMMGPOBSA-N 0 3 202.273 0.932 40 0 BCABHN COC1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C1 ZINC000409435421 343833191 /nfs/dbraw/zinc/83/31/91/343833191.db2.gz UNYLMRIBCSWWJZ-RXMQYKEDSA-N 0 3 226.198 0.123 40 0 BCABHN C[C@@H](N)C(=O)N1CCc2cc(CO)ccc21 ZINC000409435648 343834496 /nfs/dbraw/zinc/83/44/96/343834496.db2.gz VZLOERWEINGWGU-MRVPVSSYSA-N 0 3 220.272 0.415 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CN)CC1(C)C ZINC000409435075 343836339 /nfs/dbraw/zinc/83/63/39/343836339.db2.gz SEIFTDANDZSGBR-VIFPVBQESA-N 0 3 214.309 0.466 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409436061 343836579 /nfs/dbraw/zinc/83/65/79/343836579.db2.gz XWZIUUBQSGFZSK-UMNHJUIQSA-N 0 3 226.320 0.345 40 0 BCABHN COC[C@]12CCC[C@@H]1CN(CC(=N)NO)C2 ZINC000409436102 343837673 /nfs/dbraw/zinc/83/76/73/343837673.db2.gz YDMDOMSCZVRWKO-MWLCHTKSSA-N 0 3 227.308 0.691 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N)C2)C1 ZINC000409436219 343838064 /nfs/dbraw/zinc/83/80/64/343838064.db2.gz YSXYCFGDHWPYDS-FOGDFJRCSA-N 0 3 242.319 0.130 40 0 BCABHN CCOC[C@H]1CN(C(=O)CNC)C[C@H]1C ZINC000409436384 343838516 /nfs/dbraw/zinc/83/85/16/343838516.db2.gz ZOOVYNCNGADNFD-NXEZZACHSA-N 0 3 214.309 0.337 40 0 BCABHN N=C(CN1CCn2c(Cl)cnc2C1)NO ZINC000409436388 343838583 /nfs/dbraw/zinc/83/85/83/343838583.db2.gz ZOPXSIFXSLNJKO-UHFFFAOYSA-N 0 3 229.671 0.308 40 0 BCABHN COc1cc(Cn2cc(CN)nn2)cc(OC)c1 ZINC000585143408 344178168 /nfs/dbraw/zinc/17/81/68/344178168.db2.gz JVLFDCSYRWHUIS-UHFFFAOYSA-N 0 3 248.286 0.802 40 0 BCABHN NCc1cn(Cc2ccccc2)c(=O)[nH]c1=O ZINC000257891690 345778170 /nfs/dbraw/zinc/77/81/70/345778170.db2.gz LFZAYMCKBBYQKF-UHFFFAOYSA-N 0 3 231.255 0.456 40 0 BCABHN CN1CCCN(c2cc(N)ncn2)CC1 ZINC000082427515 345909488 /nfs/dbraw/zinc/90/94/88/345909488.db2.gz GHFIXCAPXQJYGC-UHFFFAOYSA-N 0 3 207.281 0.201 40 0 BCABHN NC1CN(CC(=O)Nc2ccc(F)cc2)C1 ZINC000082595830 345910066 /nfs/dbraw/zinc/91/00/66/345910066.db2.gz BSIXKXBREHPLOT-UHFFFAOYSA-N 0 3 223.251 0.407 40 0 BCABHN NC1CN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000083634959 345919485 /nfs/dbraw/zinc/91/94/85/345919485.db2.gz ZTILKPDNYHHZBI-UHFFFAOYSA-N 0 3 215.256 0.951 40 0 BCABHN CCOCC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000083887810 345920722 /nfs/dbraw/zinc/92/07/22/345920722.db2.gz IDGGDIICELOREU-SECBINFHSA-N 0 3 214.309 0.609 40 0 BCABHN NCc1cn(Cc2ccc3c(c2)CCO3)nn1 ZINC000084020623 345920805 /nfs/dbraw/zinc/92/08/05/345920805.db2.gz LYYFMAFZQKREIT-UHFFFAOYSA-N 0 3 230.271 0.720 40 0 BCABHN CCN1CCN(c2cc(N)nc(C)n2)CC1 ZINC000087805598 345941072 /nfs/dbraw/zinc/94/10/72/345941072.db2.gz YGQRJXUWPIXDFJ-UHFFFAOYSA-N 0 3 221.308 0.509 40 0 BCABHN CNc1cc(N2CCC(O)CC2)nc(C)n1 ZINC000087806291 345941985 /nfs/dbraw/zinc/94/19/85/345941985.db2.gz GLYUZIISYLNTPN-UHFFFAOYSA-N 0 3 222.292 0.788 40 0 BCABHN CNc1cc(N2CCC[C@H](O)C2)nc(C)n1 ZINC000087811607 345942368 /nfs/dbraw/zinc/94/23/68/345942368.db2.gz SXQGAYULSLVCME-VIFPVBQESA-N 0 3 222.292 0.788 40 0 BCABHN O=c1cc(C[NH2+]C2CCCC2)[nH]c(=O)[n-]1 ZINC000001857939 346476901 /nfs/dbraw/zinc/47/69/01/346476901.db2.gz GUQZAZIFPNMISR-UHFFFAOYSA-N 0 3 209.249 0.095 40 0 BCABHN CNc1ncc(CNCCCCCO)cn1 ZINC000062717491 259407349 /nfs/dbraw/zinc/40/73/49/259407349.db2.gz OVULOPLHTHCJMH-UHFFFAOYSA-N 0 3 224.308 0.771 40 0 BCABHN Cc1nc(NC#N)nc2c1CN(C)CC2 ZINC000049474135 180005420 /nfs/dbraw/zinc/00/54/20/180005420.db2.gz GFGPKVQESMELLZ-UHFFFAOYSA-N 0 3 203.249 0.666 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409433903 350135686 /nfs/dbraw/zinc/13/56/86/350135686.db2.gz NSNOXNVOGWTPFW-LSJOCFKGSA-N 0 3 226.320 0.343 40 0 BCABHN CC(=O)NCc1ncn2c1CNCCC2 ZINC000101481924 191064585 /nfs/dbraw/zinc/06/45/85/191064585.db2.gz HDFOSLDNWLTUCD-UHFFFAOYSA-N 0 3 208.265 0.013 40 0 BCABHN CCCCS[C@H]1CS(=O)(=O)C[C@@H]1N ZINC000040166321 350358143 /nfs/dbraw/zinc/35/81/43/350358143.db2.gz FHKVCSJLPFKXSX-YUMQZZPRSA-N 0 3 223.363 0.644 40 0 BCABHN NCC(=O)N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409428987 350476430 /nfs/dbraw/zinc/47/64/30/350476430.db2.gz NKTLVYOBJFTLAC-YUMQZZPRSA-N 0 3 218.247 0.839 40 0 BCABHN NCC(=O)N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409428984 350476852 /nfs/dbraw/zinc/47/68/52/350476852.db2.gz NKTLVYOBJFTLAC-JGVFFNPUSA-N 0 3 218.247 0.839 40 0 BCABHN NCc1cc(-c2cnccn2)nn1CCF ZINC000409444013 350483089 /nfs/dbraw/zinc/48/30/89/350483089.db2.gz YPLAWOFYONYEQT-UHFFFAOYSA-N 0 3 221.239 0.768 40 0 BCABHN CCOC(=O)C[C@@]1(O)CN2CCC1CC2 ZINC000052248721 350972419 /nfs/dbraw/zinc/97/24/19/350972419.db2.gz UIBGSIXBZFXWIC-LLVKDONJSA-N 0 3 213.277 0.396 40 0 BCABHN CC1=C(S(=O)(=O)N2CCNCC2)[C@@H](C)N=N1 ZINC000039147181 363145035 /nfs/dbraw/zinc/14/50/35/363145035.db2.gz GBYKFFOPSMTDNX-SSDOTTSWSA-N 0 3 244.320 0.307 40 0 BCABHN CC1=C(S(=O)(=O)N2CCNCC2)[C@H](C)N=N1 ZINC000039147182 363146034 /nfs/dbraw/zinc/14/60/34/363146034.db2.gz GBYKFFOPSMTDNX-ZETCQYMHSA-N 0 3 244.320 0.307 40 0 BCABHN COc1nccnc1CN(C(=O)CN)C(C)C ZINC000079435513 188118229 /nfs/dbraw/zinc/11/82/29/188118229.db2.gz AOLJBMNNNXOGHF-UHFFFAOYSA-N 0 3 238.291 0.181 40 0 BCABHN CC(=O)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000072344095 188131571 /nfs/dbraw/zinc/13/15/71/188131571.db2.gz LSMYWHRUQSVDFZ-SNVBAGLBSA-N 0 3 249.318 0.107 40 0 BCABHN CC(C)[C@H](N)C(=O)NCC(=O)c1ccc[nH]1 ZINC000079436535 188136853 /nfs/dbraw/zinc/13/68/53/188136853.db2.gz XZIPPQFSWZOKHV-JTQLQIEISA-N 0 3 223.276 0.297 40 0 BCABHN CCN(CC)C(=O)[C@@H](N)CCSC ZINC000011755051 355762673 /nfs/dbraw/zinc/76/26/73/355762673.db2.gz TYPOYMKOUQAFKU-QMMMGPOBSA-N 0 3 204.339 0.935 40 0 BCABHN NC(=O)[C@H](N)CSCc1ccccc1 ZINC000001640070 181276819 /nfs/dbraw/zinc/27/68/19/181276819.db2.gz HPUPUEGTCQKFMH-SECBINFHSA-N 0 3 210.302 0.732 40 0 BCABHN COC(=O)N1CC[C@](C)(O)[C@@H](N(C)C)C1 ZINC000685936476 538756373 /nfs/dbraw/zinc/75/63/73/538756373.db2.gz ZRYJKEYGRUAICD-WPRPVWTQSA-N 0 3 216.281 0.140 40 0 BCABHN COC(=O)N1CC[C@](C)(O)[C@H](N(C)C)C1 ZINC000685936474 538756489 /nfs/dbraw/zinc/75/64/89/538756489.db2.gz ZRYJKEYGRUAICD-SCZZXKLOSA-N 0 3 216.281 0.140 40 0 BCABHN CC(C)n1ncc(N)c1C(=O)NCCN(C)C ZINC000685936027 538757466 /nfs/dbraw/zinc/75/74/66/538757466.db2.gz AQRBAQXPYCHVOA-UHFFFAOYSA-N 0 3 239.323 0.338 40 0 BCABHN NCC(=O)N(Cc1cccnc1)C1CC1 ZINC000037801720 181347872 /nfs/dbraw/zinc/34/78/72/181347872.db2.gz NSGNYUNOXXXSHS-UHFFFAOYSA-N 0 3 205.261 0.531 40 0 BCABHN COC[C@@H]1C[C@H](C)[C@@](CN)(S(C)(=O)=O)C1 ZINC000110770681 369978379 /nfs/dbraw/zinc/97/83/79/369978379.db2.gz CAVMLOLVHFUYAP-IVZWLZJFSA-N 0 3 235.349 0.421 40 0 BCABHN N[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000009280451 370441910 /nfs/dbraw/zinc/44/19/10/370441910.db2.gz CAVZACNJVXKMEG-VIFPVBQESA-N 0 3 208.236 0.885 40 0 BCABHN O=C(NCC1CC1)[C@H]1CNCc2ccnn2C1 ZINC000306125726 182140429 /nfs/dbraw/zinc/14/04/29/182140429.db2.gz DAAGVTXZXNDEPT-JTQLQIEISA-N 0 3 234.303 0.129 40 0 BCABHN O=C1N[C@]2(CCCNC2)N=C1c1ccc(F)cc1 ZINC000096516415 182822211 /nfs/dbraw/zinc/82/22/11/182822211.db2.gz ONGPFKCGCREMTK-ZDUSSCGKSA-N 0 3 247.273 0.824 40 0 BCABHN CCOC(CNC[C@@H](C)C(=O)OC)OCC ZINC000047219188 170316495 /nfs/dbraw/zinc/31/64/95/170316495.db2.gz WAOJYLPDPRRFLV-SECBINFHSA-N 0 3 233.308 0.784 40 0 BCABHN OC1(O)CCCN(Cc2ccccc2)C1 ZINC000034519810 183023358 /nfs/dbraw/zinc/02/33/58/183023358.db2.gz YCDUUPQUAZOGBZ-UHFFFAOYSA-N 0 3 207.273 0.963 40 0 BCABHN OCCN1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257305100 183073936 /nfs/dbraw/zinc/07/39/36/183073936.db2.gz SOLBBEDPWGGLEW-SNVBAGLBSA-N 0 3 209.293 0.657 40 0 BCABHN OC[C@@H]1O[C@@H](n2ccc3cnccc32)C[C@H]1O ZINC000005594606 183131003 /nfs/dbraw/zinc/13/10/03/183131003.db2.gz YEWRIVWHPQXYGF-GRYCIOLGSA-N 0 3 234.255 0.677 40 0 BCABHN O[C@@]1(c2cccnc2)CN2CCC1CC2 ZINC000003788941 183218261 /nfs/dbraw/zinc/21/82/61/183218261.db2.gz APILBXBLRXLWNS-LBPRGKRZSA-N 0 3 204.273 0.995 40 0 BCABHN c1c(-c2nc(C3CC3)no2)nnn1C1CNC1 ZINC000092699125 183320307 /nfs/dbraw/zinc/32/03/07/183320307.db2.gz NURDKGHFQBGJRE-UHFFFAOYSA-N 0 3 232.247 0.350 40 0 BCABHN N=C(CN1C[C@H](CO)[C@H](C(F)(F)F)C1)NO ZINC000409435303 383835438 /nfs/dbraw/zinc/83/54/38/383835438.db2.gz UBXXCZIKVSIJHY-PHDIDXHHSA-N 0 3 241.213 0.045 40 0 BCABHN CO[C@H]1CCO[C@@]2(CCCN(CCO)C2)C1 ZINC000409434131 383828536 /nfs/dbraw/zinc/82/85/36/383828536.db2.gz ODFDTEUBQDAUTN-RYUDHWBXSA-N 0 3 229.320 0.639 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H]1C ZINC000409434148 383829408 /nfs/dbraw/zinc/82/94/08/383829408.db2.gz OIACXDACAVHDLX-GUBZILKMSA-N 0 3 214.309 0.465 40 0 BCABHN NCc1c(C(N)=O)ncn1Cc1ccccc1 ZINC000001618290 383913106 /nfs/dbraw/zinc/91/31/06/383913106.db2.gz GSGPOZKOZDNVBU-UHFFFAOYSA-N 0 3 230.271 0.489 40 0 BCABHN CC(=O)N1CCCC[C@H]1CN(C)CCO ZINC000079405294 384133741 /nfs/dbraw/zinc/13/37/41/384133741.db2.gz PFBNRYWDLXKFJB-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCO ZINC000079407801 384135847 /nfs/dbraw/zinc/13/58/47/384135847.db2.gz ROKNTGDEDWTVBD-JTQLQIEISA-N 0 3 244.335 0.968 40 0 BCABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(C)C1 ZINC000079407295 384137101 /nfs/dbraw/zinc/13/71/01/384137101.db2.gz ADKSXRAGEQOHEM-WDEREUQCSA-N 0 3 227.352 0.665 40 0 BCABHN C[C@H](N)C(=O)N(CC(=O)c1ccc[nH]1)C1CC1 ZINC000079436530 384146567 /nfs/dbraw/zinc/14/65/67/384146567.db2.gz YIELFDSOLWPGLE-QMMMGPOBSA-N 0 3 235.287 0.536 40 0 BCABHN C[C@H](N)C(=O)N(C)CC(=O)c1cccs1 ZINC000079436316 384146659 /nfs/dbraw/zinc/14/66/59/384146659.db2.gz QUOMKWDLGHLUIF-ZETCQYMHSA-N 0 3 226.301 0.736 40 0 BCABHN CC(C)N(CC(=O)c1ccc[nH]1)C(=O)[C@H](C)N ZINC000079436526 384146788 /nfs/dbraw/zinc/14/67/88/384146788.db2.gz QONJKXUZKGEZHQ-VIFPVBQESA-N 0 3 237.303 0.782 40 0 BCABHN CC(C)[C@H](N)C(=O)N(Cc1cnccn1)C1CC1 ZINC000079435716 384147012 /nfs/dbraw/zinc/14/70/12/384147012.db2.gz LDOWCIQPGNOVNQ-LBPRGKRZSA-N 0 3 248.330 0.951 40 0 BCABHN CCN(C[C@@H]1CCCCN1CCO)C(C)=O ZINC000079416448 384139241 /nfs/dbraw/zinc/13/92/41/384139241.db2.gz XXNFYRZQTKAGST-LBPRGKRZSA-N 0 3 228.336 0.702 40 0 BCABHN CCN(C[C@H]1CCCN1C(=O)[C@H](C)N)C(C)=O ZINC000079417614 384139487 /nfs/dbraw/zinc/13/94/87/384139487.db2.gz YVTDCFFBOYIVEJ-GXSJLCMTSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C1CC1)[C@H]1CCCN(CCO)C1 ZINC000079416575 384139786 /nfs/dbraw/zinc/13/97/86/384139786.db2.gz ORVBHWNDFMSBTF-LBPRGKRZSA-N 0 3 226.320 0.454 40 0 BCABHN CC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079417364 384139979 /nfs/dbraw/zinc/13/99/79/384139979.db2.gz YYQZPUKTLIRTNY-LLVKDONJSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C)C[C@@H]1CCCN(CCO)C1 ZINC000079416386 384140355 /nfs/dbraw/zinc/14/03/55/384140355.db2.gz LEEHIHWNHMUPOB-NSHDSACASA-N 0 3 214.309 0.169 40 0 BCABHN C[NH+](C)C[C@H]1CCCN(CC(=O)[O-])C1 ZINC000079419710 384144695 /nfs/dbraw/zinc/14/46/95/384144695.db2.gz CPSQNJCVUDZHTC-SECBINFHSA-N 0 3 200.282 0.345 40 0 BCABHN O=C(CN1CCCC1)N1CC[C@@H](c2cc[nH]n2)C1 ZINC000072381872 384217198 /nfs/dbraw/zinc/21/71/98/384217198.db2.gz PBJZNROMXVEDAS-LLVKDONJSA-N 0 3 248.330 0.821 40 0 BCABHN O=C1C2=CNNC2C(=O)N1Cc1ccccc1 ZINC000100028599 384278306 /nfs/dbraw/zinc/27/83/06/384278306.db2.gz CBFHOYBSZUEILM-UWVGGRQHSA-N 0 3 229.239 0.129 40 0 BCABHN CN(C)CCNC(=O)C(=O)NC1CCCCC1 ZINC000009909969 384266337 /nfs/dbraw/zinc/26/63/37/384266337.db2.gz OPCPLUDZHRGQBH-UHFFFAOYSA-N 0 3 241.335 0.113 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1CN ZINC000094568750 384305301 /nfs/dbraw/zinc/30/53/01/384305301.db2.gz QWQOVHQSXJGTPM-YUMQZZPRSA-N 0 3 216.281 0.315 40 0 BCABHN CN1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000074707305 384299861 /nfs/dbraw/zinc/29/98/61/384299861.db2.gz SREIUYBHKGXIDA-UHFFFAOYSA-N 0 3 225.336 0.102 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H]2ON=C(CN)[C@H]2C1 ZINC000095743433 384393070 /nfs/dbraw/zinc/39/30/70/384393070.db2.gz NGEGZOIWPHWOJW-APPZFPTMSA-N 0 3 241.291 0.567 40 0 BCABHN CN1c2ccccc2[C@]2(CCN(CCO)C2)C1=O ZINC000096244815 384444814 /nfs/dbraw/zinc/44/48/14/384444814.db2.gz PEJIYMQEVMLLAD-CQSZACIVSA-N 0 3 246.310 0.599 40 0 BCABHN Cc1cnnn1Cc1ncn2c1CNCCC2 ZINC000096259476 384447470 /nfs/dbraw/zinc/44/74/70/384447470.db2.gz MYBWWQLTXIYOEI-UHFFFAOYSA-N 0 3 232.291 0.325 40 0 BCABHN CC(=O)CC(=O)NCCCN1CCCCC1 ZINC000001701857 384450385 /nfs/dbraw/zinc/45/03/85/384450385.db2.gz KYHRZBVBYMWALS-UHFFFAOYSA-N 0 3 226.320 0.958 40 0 BCABHN O=C([C@@H]1CCC2(CNC2)O1)N1CCCC1 ZINC000096078046 384431898 /nfs/dbraw/zinc/43/18/98/384431898.db2.gz PLACEVUJVAWPLW-VIFPVBQESA-N 0 3 210.277 0.130 40 0 BCABHN c1nnn2c1CO[C@@H](CNCc1cccnc1)C2 ZINC000096199130 384441959 /nfs/dbraw/zinc/44/19/59/384441959.db2.gz RAKLPAJDQPFNFG-LBPRGKRZSA-N 0 3 245.286 0.362 40 0 BCABHN CCOC[C@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000160065063 384482522 /nfs/dbraw/zinc/48/25/22/384482522.db2.gz UGIKTFJGQCNQEI-ZJUUUORDSA-N 0 3 214.309 0.609 40 0 BCABHN C[NH+](C)C[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000079419707 384495101 /nfs/dbraw/zinc/49/51/01/384495101.db2.gz CPSQNJCVUDZHTC-VIFPVBQESA-N 0 3 200.282 0.345 40 0 BCABHN CC(C)(C)OC(=O)N1CCNC[C@@H](O)C1 ZINC000083299755 384758002 /nfs/dbraw/zinc/75/80/02/384758002.db2.gz GBVLDEOLVSGEJQ-MRVPVSSYSA-N 0 3 216.281 0.188 40 0 BCABHN Cn1c(=O)c2cccnc2nc1[C@H]1CCCN1 ZINC000252481187 384887382 /nfs/dbraw/zinc/88/73/82/384887382.db2.gz CIGCBFFYRUISJZ-SECBINFHSA-N 0 3 230.271 0.753 40 0 BCABHN O=C1C2=CNNC2C(=O)N1Cc1ccccc1 ZINC000004125199 385138915 /nfs/dbraw/zinc/13/89/15/385138915.db2.gz CBFHOYBSZUEILM-ZJUUUORDSA-N 0 3 229.239 0.129 40 0 BCABHN CC(C)c1noc(CCNC(=O)[C@@H](C)N)n1 ZINC000072220510 385097317 /nfs/dbraw/zinc/09/73/17/385097317.db2.gz ONBUOJHWJAYGKE-SSDOTTSWSA-N 0 3 226.280 0.199 40 0 BCABHN COCCNCc1cnc(N2CCCC2)nc1 ZINC000048326646 385187498 /nfs/dbraw/zinc/18/74/98/385187498.db2.gz SUVMCVKWNCRDJM-UHFFFAOYSA-N 0 3 236.319 0.813 40 0 BCABHN Cc1n[nH]c(C)c1CN1CC[C@@H](CO)C1 ZINC000127241899 385317622 /nfs/dbraw/zinc/31/76/22/385317622.db2.gz DJZWCPMXNQYJMI-SNVBAGLBSA-N 0 3 209.293 0.841 40 0 BCABHN O=c1c2c(ncn1C[C@H]1CCCO1)CCNC2 ZINC000096516472 385259010 /nfs/dbraw/zinc/25/90/10/385259010.db2.gz HCVISHMIRKMRDQ-SECBINFHSA-N 0 3 235.287 0.068 40 0 BCABHN COC[C@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000211675901 385322695 /nfs/dbraw/zinc/32/26/95/385322695.db2.gz SAKAPPNOEJPHOC-BDAKNGLRSA-N 0 3 200.282 0.219 40 0 BCABHN Oc1cnc(C2CC2)nc1N1CCNCC1 ZINC000396175017 385330314 /nfs/dbraw/zinc/33/03/14/385330314.db2.gz MZKIZBSHPCFJJG-UHFFFAOYSA-N 0 3 220.276 0.469 40 0 BCABHN CNC1CN(S(=O)(=O)C2CCCCC2)C1 ZINC000396995846 385330552 /nfs/dbraw/zinc/33/05/52/385330552.db2.gz HFMZBYNUAVUAQN-UHFFFAOYSA-N 0 3 232.349 0.553 40 0 BCABHN CCn1nc([C@@H]2CCCO2)n(C2CNC2)c1=O ZINC000409424641 385333726 /nfs/dbraw/zinc/33/37/26/385333726.db2.gz HMRWMNWUYJDAED-VIFPVBQESA-N 0 3 238.291 0.061 40 0 BCABHN N=C(CN1C[C@@H]2CCC(F)(F)[C@@H]2C1)NO ZINC000409424666 385333732 /nfs/dbraw/zinc/33/37/32/385333732.db2.gz COBYADRAEKEGLB-NKWVEPMBSA-N 0 3 219.235 0.920 40 0 BCABHN O=C1N[C@@]2(CCCNC2)Nc2ccccc21 ZINC000013568795 385351796 /nfs/dbraw/zinc/35/17/96/385351796.db2.gz QYBBADXOBPPION-GFCCVEGCSA-N 0 3 217.272 0.922 40 0 BCABHN c1ccc2c(c1)=NCC=2CC1=c2ccccc2=NC1 ZINC000063151181 385553986 /nfs/dbraw/zinc/55/39/86/385553986.db2.gz KCMFLFJESHHDDK-UHFFFAOYSA-N 0 3 246.313 0.345 40 0 BCABHN CSc1ncc(CNC[C@H](C)O)cn1 ZINC000062717262 385711951 /nfs/dbraw/zinc/71/19/51/385711951.db2.gz MWYSWLBSNPNBBL-ZETCQYMHSA-N 0 3 213.306 0.669 40 0 BCABHN CNc1ncc(CNCCN(C)C)cn1 ZINC000062718394 385726064 /nfs/dbraw/zinc/72/60/64/385726064.db2.gz OAXKGDZEOWRTSA-UHFFFAOYSA-N 0 3 209.297 0.170 40 0 BCABHN COc1ccc(O[C@@H]2COC[C@@H]2N)cc1 ZINC000218679746 386275832 /nfs/dbraw/zinc/27/58/32/386275832.db2.gz VXPXAUYNVIDYSV-WDEREUQCSA-N 0 3 209.245 0.800 40 0 BCABHN CN(C)CCNc1nc(Cl)ncc1N ZINC000096311474 386596265 /nfs/dbraw/zinc/59/62/65/386596265.db2.gz CETYWXYDXMUQPR-UHFFFAOYSA-N 0 3 215.688 0.686 40 0 BCABHN Cc1cnn(C)c1CNCCN1CCOCC1 ZINC000256050871 387858033 /nfs/dbraw/zinc/85/80/33/387858033.db2.gz GUXHXOGSVFHLPV-UHFFFAOYSA-N 0 3 238.335 0.150 40 0 BCABHN Cn1cc(CNCCO)c(C(F)(F)F)n1 ZINC000256053007 387860702 /nfs/dbraw/zinc/86/07/02/387860702.db2.gz PQIJDRJPZWGSKO-UHFFFAOYSA-N 0 3 223.198 0.521 40 0 BCABHN NCc1cccc(N2CCCS2(=O)=O)n1 ZINC000521396034 387920798 /nfs/dbraw/zinc/92/07/98/387920798.db2.gz IYZYAMJKXYDNKL-UHFFFAOYSA-N 0 3 227.289 0.080 40 0 BCABHN c1nnc(N2CCNCC2)cc1N1CCCC1 ZINC000217514228 388375214 /nfs/dbraw/zinc/37/52/14/388375214.db2.gz DVONPRCMDXFYNB-UHFFFAOYSA-N 0 3 233.319 0.486 40 0 BCABHN NC[C@@H]1C(=O)NCC[C@H]1c1ccccc1 ZINC000217680489 388379356 /nfs/dbraw/zinc/37/93/56/388379356.db2.gz IUUJVHVYPKLSTN-QWRGUYRKSA-N 0 3 204.273 0.865 40 0 BCABHN CCOC[C@@]1(CN)C[C@@H]1S(=O)(=O)CC ZINC000217969264 388383714 /nfs/dbraw/zinc/38/37/14/388383714.db2.gz AJWWASWDVASUMJ-IUCAKERBSA-N 0 3 221.322 0.175 40 0 BCABHN CCOC[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261538308 135175764 /nfs/dbraw/zinc/17/57/64/135175764.db2.gz XRDUYFRXQDASSA-RKDXNWHRSA-N 0 3 200.282 0.219 40 0 BCABHN CC(C)(C)OC(=O)[C@H](N)[C@@H]1CCCCN1 ZINC000071605950 388508939 /nfs/dbraw/zinc/50/89/39/388508939.db2.gz CCCVEWRCGHNEHF-DTWKUNHWSA-N 0 3 214.309 0.798 40 0 BCABHN CC(C)(C)OC(=O)[C@H](N)[C@H]1CCCCN1 ZINC000071605953 388509311 /nfs/dbraw/zinc/50/93/11/388509311.db2.gz CCCVEWRCGHNEHF-RKDXNWHRSA-N 0 3 214.309 0.798 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC2CC2)C1 ZINC000104193995 388616137 /nfs/dbraw/zinc/61/61/37/388616137.db2.gz FLYJWEBTYFZRRY-UWVGGRQHSA-N 0 3 242.319 0.719 40 0 BCABHN CCS(=O)(=O)C1C(=O)N2CCCC[C@@H]12 ZINC000217736047 388572629 /nfs/dbraw/zinc/57/26/29/388572629.db2.gz HIXQQNIYGGRPMQ-JGVFFNPUSA-N 0 3 217.290 0.184 40 0 BCABHN c1cnc(OC[C@@H]2CC[C@@H]3NCCO[C@@H]23)nc1 ZINC000247834805 388625373 /nfs/dbraw/zinc/62/53/73/388625373.db2.gz IUKIDKVALJOGET-DCAQKATOSA-N 0 3 235.287 0.622 40 0 BCABHN CN1CC[C@@H](O)[C@H](Cc2ccccn2)C1 ZINC000252515878 388654355 /nfs/dbraw/zinc/65/43/55/388654355.db2.gz OGGWQOJFGKKYML-ZYHUDNBSSA-N 0 3 206.289 0.937 40 0 BCABHN CCCNc1ncc(CNC[C@H](C)O)cn1 ZINC000062717729 388656080 /nfs/dbraw/zinc/65/60/80/388656080.db2.gz LQZDGNBIBPTYDE-VIFPVBQESA-N 0 3 224.308 0.769 40 0 BCABHN CCOCCCNCc1cnc(N)nc1 ZINC000062717366 388656125 /nfs/dbraw/zinc/65/61/25/388656125.db2.gz UQEMVGDQZKFYPW-UHFFFAOYSA-N 0 3 210.281 0.575 40 0 BCABHN CN1CCN[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000225673960 388827631 /nfs/dbraw/zinc/82/76/31/388827631.db2.gz FLDYGUQYUAEDOJ-KGLIPLIRSA-N 0 3 231.343 0.774 40 0 BCABHN CCN(CC)c1cc2c(nn1)CCNC2 ZINC000259368084 135142403 /nfs/dbraw/zinc/14/24/03/135142403.db2.gz GFSXUJAKPHQPGI-UHFFFAOYSA-N 0 3 206.293 0.969 40 0 BCABHN CCOC[C@H]1CCN(C(=O)CNC)C1 ZINC000261528910 135155155 /nfs/dbraw/zinc/15/51/55/135155155.db2.gz WKJANEUNIQKEHO-VIFPVBQESA-N 0 3 200.282 0.091 40 0 BCABHN COCC1(C)CCN(C(=O)CN)CC1 ZINC000335383668 136088187 /nfs/dbraw/zinc/08/81/87/136088187.db2.gz CQQMSKYDIODVJI-UHFFFAOYSA-N 0 3 200.282 0.220 40 0 BCABHN CC1(C)O[C@H]2O[C@H](CN3CCCC3)[C@H](O)[C@H]2O1 ZINC000034781529 398015517 /nfs/dbraw/zinc/01/55/17/398015517.db2.gz NCODKLYVALCUOA-LMLFDSFASA-N 0 3 243.303 0.320 40 0 BCABHN CNc1ncc(CNCCCCO)cn1 ZINC000062717496 398055232 /nfs/dbraw/zinc/05/52/32/398055232.db2.gz XQPVEFNJCHABBM-UHFFFAOYSA-N 0 3 210.281 0.380 40 0 BCABHN CN(C)C(=O)C1CCN(C[C@H]2CO2)CC1 ZINC000095097801 172354249 /nfs/dbraw/zinc/35/42/49/172354249.db2.gz SERMXPHCPWCYFT-JTQLQIEISA-N 0 3 212.293 0.185 40 0 BCABHN COCCCNC(=O)[C@H](N)CCSC ZINC000062725412 174244575 /nfs/dbraw/zinc/24/45/75/174244575.db2.gz GKHSEMLREPHEIB-MRVPVSSYSA-N 0 3 220.338 0.220 40 0 BCABHN COc1ccc(CCNC(=O)CN)c(Cl)c1 ZINC000082613656 410467060 /nfs/dbraw/zinc/46/70/60/410467060.db2.gz VBGLCZPNHQVOMA-UHFFFAOYSA-N 0 3 242.706 0.966 40 0 BCABHN CC1(C)[C@@H]2CC[C@@]1(C(=O)NCCN)C(=O)C2 ZINC000085385739 168002862 /nfs/dbraw/zinc/00/28/62/168002862.db2.gz ISBZBORJTCSILI-PELKAZGASA-N 0 3 224.304 0.457 40 0 BCABHN CC1=CC[C@@H]2C(=O)N(CCN(C)C)C(=O)[C@@H]2C1 ZINC000005964455 168119711 /nfs/dbraw/zinc/11/97/11/168119711.db2.gz SWNTWUKNTCTSEN-WDEREUQCSA-N 0 3 236.315 0.889 40 0 BCABHN CCOC(=O)CCN(CCOC)CCOC ZINC000039368927 170205031 /nfs/dbraw/zinc/20/50/31/170205031.db2.gz MTZKHXRIPHAZHO-UHFFFAOYSA-N 0 3 233.308 0.534 40 0 BCABHN CCOC(=O)[C@@H](C)CN1CCN(C)CC1 ZINC000022035219 170245370 /nfs/dbraw/zinc/24/53/70/170245370.db2.gz PXVDCSSPQKCTDI-JTQLQIEISA-N 0 3 214.309 0.433 40 0 BCABHN CCOC(=O)C1C(=O)NC[C@H]2CCC[C@H]21 ZINC000004119213 170279365 /nfs/dbraw/zinc/27/93/65/170279365.db2.gz IOMQKGKNFVKWCE-IWSPIJDZSA-N 0 3 211.261 0.712 40 0 BCABHN CCOC(=O)c1cc2c(n1C)CCNC2 ZINC000096510410 170293588 /nfs/dbraw/zinc/29/35/88/170293588.db2.gz RJLSATVYQYBOTE-UHFFFAOYSA-N 0 3 208.261 0.848 40 0 BCABHN CCOCCCNC(=O)[C@H](N)[C@H](C)CC ZINC000019509848 170378568 /nfs/dbraw/zinc/37/85/68/170378568.db2.gz XQUMOYPQVGKMRS-NXEZZACHSA-N 0 3 216.325 0.903 40 0 BCABHN CCOC[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000160064533 170455052 /nfs/dbraw/zinc/45/50/52/170455052.db2.gz UGIKTFJGQCNQEI-UWVGGRQHSA-N 0 3 214.309 0.609 40 0 BCABHN CCc1nc2c(nnn2[C@@H]2CCC[NH2+]C2)c(=O)[n-]1 ZINC000072397451 172001226 /nfs/dbraw/zinc/00/12/26/172001226.db2.gz ZXLRMJGPXQOVBT-SSDOTTSWSA-N 0 3 248.290 0.414 40 0 BCABHN CN(C)C(=O)[C@H]1CCCN(C[C@@H]2CO2)C1 ZINC000095097809 172386398 /nfs/dbraw/zinc/38/63/98/172386398.db2.gz LTOJWAYLLJYTGZ-VHSXEESVSA-N 0 3 212.293 0.185 40 0 BCABHN CN1CCC(c2cccc(C(N)=O)n2)CC1 ZINC000072379270 173001786 /nfs/dbraw/zinc/00/17/86/173001786.db2.gz ISQCOCMGKFUUFJ-UHFFFAOYSA-N 0 3 219.288 0.990 40 0 BCABHN Cn1nc([C@@H]2CCCN(C)C2)cc1CCO ZINC000072382174 173022208 /nfs/dbraw/zinc/02/22/08/173022208.db2.gz YEGITIBOSYHBHD-SNVBAGLBSA-N 0 3 223.320 0.764 40 0 BCABHN CN1CCN(CCOc2ccnc(N)c2)CC1 ZINC000098175311 173082300 /nfs/dbraw/zinc/08/23/00/173082300.db2.gz WVXIDSOQIAHIMJ-UHFFFAOYSA-N 0 3 236.319 0.290 40 0 BCABHN CN1CCN(C[C@@H]2C(=O)[C@H]3CC[C@@H]2C3)CC1 ZINC000019864896 173085112 /nfs/dbraw/zinc/08/51/12/173085112.db2.gz AZDLVOLXVIREKE-WOPDTQHZSA-N 0 3 222.332 0.849 40 0 BCABHN CNCC(=O)N1CCC(c2ncncc2C)CC1 ZINC000072361452 173326300 /nfs/dbraw/zinc/32/63/00/173326300.db2.gz TYCMHYJNQKMUMA-UHFFFAOYSA-N 0 3 248.330 0.710 40 0 BCABHN COCCCNC(=O)C1CCN(C)CC1 ZINC000074707293 174236845 /nfs/dbraw/zinc/23/68/45/174236845.db2.gz NNLXMEGTIKCCNL-UHFFFAOYSA-N 0 3 214.309 0.481 40 0 BCABHN COCCN1CCNCc2cccnc21 ZINC000096260843 174312254 /nfs/dbraw/zinc/31/22/54/174312254.db2.gz NDMYREABJSYNHK-UHFFFAOYSA-N 0 3 207.277 0.638 40 0 BCABHN COCCNCc1cccn1CCOC ZINC000045205881 174336320 /nfs/dbraw/zinc/33/63/20/174336320.db2.gz JVRDXHCIRDYZTO-UHFFFAOYSA-N 0 3 212.293 0.871 40 0 BCABHN COCCNc1ncc2c(n1)CCNC2 ZINC000253565153 174342522 /nfs/dbraw/zinc/34/25/22/174342522.db2.gz HJLUVTZBQZQGLM-UHFFFAOYSA-N 0 3 208.265 0.181 40 0 BCABHN COc1ccc(NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000222551842 175140706 /nfs/dbraw/zinc/14/07/06/175140706.db2.gz XOUDMPQSZCZMFV-JTQLQIEISA-N 0 3 249.270 0.737 40 0 BCABHN COc1ccc2c(c1)C[C@@H](CN)C(=O)N2 ZINC000011982412 175210506 /nfs/dbraw/zinc/21/05/06/175210506.db2.gz NJPOKOBXQJNOJT-QMMMGPOBSA-N 0 3 206.245 0.765 40 0 BCABHN COc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000037491241 175262614 /nfs/dbraw/zinc/26/26/14/175262614.db2.gz AZFKKLSQHPWUOH-QMMMGPOBSA-N 0 3 208.261 0.659 40 0 BCABHN C[C@H](N)C(=O)N(C)Cc1ccc(Cl)nn1 ZINC000079435866 176745608 /nfs/dbraw/zinc/74/56/08/176745608.db2.gz DBWMKBIZRMFPAL-LURJTMIESA-N 0 3 228.683 0.436 40 0 BCABHN C[C@@H](O)CN1C[C@H](C)N(C[C@@H](C)O)C[C@H]1C ZINC000023477049 177256051 /nfs/dbraw/zinc/25/60/51/177256051.db2.gz DTQIXUAQWTUJSV-WRWGMCAJSA-N 0 3 230.352 0.143 40 0 BCABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccn1 ZINC000072397593 177279781 /nfs/dbraw/zinc/27/97/81/177279781.db2.gz NIPJIWZVCCFHQE-FPMFFAJLSA-N 0 3 247.342 0.721 40 0 BCABHN C[C@@H]1C[C@H]2N[C@H](C)C[C@H]3N[C@@H](C)C[C@H](N1)N23 ZINC000019327235 177352733 /nfs/dbraw/zinc/35/27/33/177352733.db2.gz MZEWYVRDJISVSS-HRRXFJGFSA-N 0 3 224.352 0.412 40 0 BCABHN CCOCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000004895449 521710660 /nfs/dbraw/zinc/71/06/60/521710660.db2.gz OORKCSNPGMBSPL-NSHDSACASA-N 0 3 244.335 0.298 40 0 BCABHN CSCC[C@@H](N)C(=O)NCC1CC1 ZINC000163572026 525542186 /nfs/dbraw/zinc/54/21/86/525542186.db2.gz HGRPRUFXZBJNMB-MRVPVSSYSA-N 0 3 202.323 0.593 40 0 BCABHN O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCCO1 ZINC000004969114 526879900 /nfs/dbraw/zinc/87/99/00/526879900.db2.gz VGQDCTHHWXJXJC-QWRGUYRKSA-N 0 3 242.319 0.050 40 0 BCABHN C[C@@](N)(Cc1ccc2c(c1)OCO2)C(N)=O ZINC000000096871 342673963 /nfs/dbraw/zinc/67/39/63/342673963.db2.gz VDMUWWOTFCARHH-LLVKDONJSA-N 0 3 222.244 0.161 40 0 BCABHN COC(=O)c1cnc(N2CCNCC2)cc1C ZINC000072223567 259321602 /nfs/dbraw/zinc/32/16/02/259321602.db2.gz WEHIWNQBISSZRE-UHFFFAOYSA-N 0 3 235.287 0.586 40 0 BCABHN COC(=O)C[C@@H]1CN[C@H]2CCCC[C@@H]2NC1=O ZINC000022126939 343040739 /nfs/dbraw/zinc/04/07/39/343040739.db2.gz LFPMYLXHLRBOCF-UTLUCORTSA-N 0 3 240.303 0.196 40 0 BCABHN COC(=O)C[C@H]1CN[C@H]2CCCC[C@@H]2NC1=O ZINC000022126942 343040783 /nfs/dbraw/zinc/04/07/83/343040783.db2.gz LFPMYLXHLRBOCF-GUBZILKMSA-N 0 3 240.303 0.196 40 0 BCABHN CC(=O)N1CCCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000042681422 362017378 /nfs/dbraw/zinc/01/73/78/362017378.db2.gz WOWQIGNYUXSYEN-NSHDSACASA-N 0 3 241.335 0.051 40 0 BCABHN COc1ccc([C@H]([NH3+])C[C@@H](N)C(=O)[O-])cc1 ZINC000259411617 343109948 /nfs/dbraw/zinc/10/99/48/343109948.db2.gz MFPGGPHTGGNYLI-NXEZZACHSA-N 0 3 224.260 0.497 40 0 BCABHN COc1ccc([C@H](N)C[C@@H]([NH3+])C(=O)[O-])cc1 ZINC000259411617 343109949 /nfs/dbraw/zinc/10/99/49/343109949.db2.gz MFPGGPHTGGNYLI-NXEZZACHSA-N 0 3 224.260 0.497 40 0 BCABHN COC(=O)[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1O ZINC000260858470 343131729 /nfs/dbraw/zinc/13/17/29/343131729.db2.gz WYULCMDCPPGORM-GMTAPVOTSA-N 0 3 243.303 0.021 40 0 BCABHN NC1CN(CC(=O)NC2CCCCC2)C1 ZINC000082595766 343450825 /nfs/dbraw/zinc/45/08/25/343450825.db2.gz ZOKVBWSXNIFTQT-UHFFFAOYSA-N 0 3 211.309 0.078 40 0 BCABHN CCOC[C@@H]1CC(F)(F)CN1C(=O)CN ZINC000409427837 343802145 /nfs/dbraw/zinc/80/21/45/343802145.db2.gz FNVKXQZFCYYCPP-ZETCQYMHSA-N 0 3 222.235 0.218 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCC[C@@H](CO)C1 ZINC000036227412 343779561 /nfs/dbraw/zinc/77/95/61/343779561.db2.gz MTHBCEPULQLQCR-MNOVXSKESA-N 0 3 226.320 0.359 40 0 BCABHN COc1ccc(CCn2cc(CN)nn2)cc1 ZINC000050224375 343782829 /nfs/dbraw/zinc/78/28/29/343782829.db2.gz UQNOGSBSJRCWAG-UHFFFAOYSA-N 0 3 232.287 0.988 40 0 BCABHN CCCN(CCC)C(=O)Cn1cc(CN)nn1 ZINC000050224824 343782870 /nfs/dbraw/zinc/78/28/70/343782870.db2.gz LDCGNERPKKLLKP-UHFFFAOYSA-N 0 3 239.323 0.385 40 0 BCABHN CNCC(=O)N1CCN(CCC(C)C)CC1 ZINC000037823617 343783238 /nfs/dbraw/zinc/78/32/38/343783238.db2.gz DXKPUHGPPKMQPV-UHFFFAOYSA-N 0 3 227.352 0.396 40 0 BCABHN CC(=O)N1CCN(c2cc(N)nc(C)n2)CC1 ZINC000127827683 343787744 /nfs/dbraw/zinc/78/77/44/343787744.db2.gz CCHHFYSRUNTYDU-UHFFFAOYSA-N 0 3 235.291 0.036 40 0 BCABHN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1OC ZINC000235015690 343794701 /nfs/dbraw/zinc/79/47/01/343794701.db2.gz IIDPJXKYMZFKFB-GMTAPVOTSA-N 0 3 242.319 0.001 40 0 BCABHN CNCC(=O)N1CCC[C@@H](C(F)F)C1 ZINC000409426479 343797824 /nfs/dbraw/zinc/79/78/24/343797824.db2.gz IFFTUGJBPDDFHE-SSDOTTSWSA-N 0 3 206.236 0.710 40 0 BCABHN CCO[C@@H]1CN(CCO)C[C@H]1OCC ZINC000409426807 343798841 /nfs/dbraw/zinc/79/88/41/343798841.db2.gz DAVXJGRPZQTIRE-NXEZZACHSA-N 0 3 203.282 0.105 40 0 BCABHN O=Cc1cn(CC2CN(C3CCCC3)C2)nn1 ZINC000409426721 343799139 /nfs/dbraw/zinc/79/91/39/343799139.db2.gz RTEFRGJSNGJTBW-UHFFFAOYSA-N 0 3 234.303 0.965 40 0 BCABHN NCC(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000409427058 343800083 /nfs/dbraw/zinc/80/00/83/343800083.db2.gz JIJCNAWNQMLWOB-NSHDSACASA-N 0 3 212.293 0.507 40 0 BCABHN Cc1nc(N2CCC2)cc(N2CCNCC2)n1 ZINC000409427178 343800158 /nfs/dbraw/zinc/80/01/58/343800158.db2.gz HUOUSGOIDHPLQF-UHFFFAOYSA-N 0 3 233.319 0.405 40 0 BCABHN CC(C)C[C@@H]1CN(CC(=N)NO)CC[C@@H]1O ZINC000409427752 343801598 /nfs/dbraw/zinc/80/15/98/343801598.db2.gz FHJHSVZPBVKVDE-ZJUUUORDSA-N 0 3 229.324 0.671 40 0 BCABHN N=C(CN1CCN([C@@H]2CCSC2)CC1)NO ZINC000405518948 343812360 /nfs/dbraw/zinc/81/23/60/343812360.db2.gz VEBZRFUEOCMWLS-SECBINFHSA-N 0 3 244.364 0.066 40 0 BCABHN CCOC[C@H]1CCCN(CC(=N)NO)C1 ZINC000409432815 343827599 /nfs/dbraw/zinc/82/75/99/343827599.db2.gz WLDKYZMHVMENJJ-VIFPVBQESA-N 0 3 215.297 0.691 40 0 BCABHN CCN1CCCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409423404 343815272 /nfs/dbraw/zinc/81/52/72/343815272.db2.gz BPPOLMZTVXAYKR-LLVKDONJSA-N 0 3 222.292 0.965 40 0 BCABHN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1 ZINC000409424114 343816828 /nfs/dbraw/zinc/81/68/28/343816828.db2.gz BHFWCXZRWIHDTL-SRVKXCTJSA-N 0 3 240.347 0.890 40 0 BCABHN N[C@H](Cn1cc(CO)nn1)c1ccccc1 ZINC000409425111 343818201 /nfs/dbraw/zinc/81/82/01/343818201.db2.gz KABXGXPCGSEDKL-LLVKDONJSA-N 0 3 218.260 0.470 40 0 BCABHN N=C(CN1C[C@H]2CCC[C@]2(CO)C1)NO ZINC000409425299 343818816 /nfs/dbraw/zinc/81/88/16/343818816.db2.gz AGLSUZHNZSYANS-PSASIEDQSA-N 0 3 213.281 0.037 40 0 BCABHN CNCC(=O)N1CC(F)(F)C[C@H]1COC ZINC000409425581 343819739 /nfs/dbraw/zinc/81/97/39/343819739.db2.gz AUZFPQIQPZZTMD-ZETCQYMHSA-N 0 3 222.235 0.088 40 0 BCABHN CNCC(=O)N1CCc2c1cccc2COC ZINC000409431701 343822361 /nfs/dbraw/zinc/82/23/61/343822361.db2.gz KALBPDHTJXRQKK-UHFFFAOYSA-N 0 3 234.299 0.942 40 0 BCABHN CCN(C(=O)CN)C1CCSCC1 ZINC000409426378 343822502 /nfs/dbraw/zinc/82/25/02/343822502.db2.gz CETPWBZBHRZQFG-UHFFFAOYSA-N 0 3 202.323 0.689 40 0 BCABHN Oc1ccc2c(c1)[C@@H](O)CC1(CNC1)O2 ZINC000409431895 343822897 /nfs/dbraw/zinc/82/28/97/343822897.db2.gz LRSIRIADNRHLKJ-VIFPVBQESA-N 0 3 207.229 0.550 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@@H](C(F)F)C1 ZINC000409431831 343822932 /nfs/dbraw/zinc/82/29/32/343822932.db2.gz TUVQUASXTSFLTB-NKWVEPMBSA-N 0 3 206.236 0.837 40 0 BCABHN CNCC(=O)N1CCc2cc(COC)ccc21 ZINC000409431672 343824448 /nfs/dbraw/zinc/82/44/48/343824448.db2.gz JUKXJVMDWNJCGA-UHFFFAOYSA-N 0 3 234.299 0.942 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCC2(COC2)CC1 ZINC000409432161 343825624 /nfs/dbraw/zinc/82/56/24/343825624.db2.gz UORBYCNAMCOBAX-NSHDSACASA-N 0 3 238.331 0.768 40 0 BCABHN CNCC(=O)N1CCC[C@@H](c2ccn(C)n2)C1 ZINC000409428752 343804226 /nfs/dbraw/zinc/80/42/26/343804226.db2.gz MYYFHPYWBUSGIQ-SNVBAGLBSA-N 0 3 236.319 0.346 40 0 BCABHN C[C@@H](N)C(=O)N(C1CC1)C1CCOCC1 ZINC000409430423 343808196 /nfs/dbraw/zinc/80/81/96/343808196.db2.gz IOFHKCJLQRYDNA-MRVPVSSYSA-N 0 3 212.293 0.504 40 0 BCABHN Cn1ccc([C@H]2CCCN(CCO)C2)n1 ZINC000409440072 343853924 /nfs/dbraw/zinc/85/39/24/343853924.db2.gz VPLVBHAOBKKPPA-JTQLQIEISA-N 0 3 209.293 0.592 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1O ZINC000409433996 343831018 /nfs/dbraw/zinc/83/10/18/343831018.db2.gz NVPXUHFFSKDSHV-GMTAPVOTSA-N 0 3 228.336 0.589 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCCN(C(=O)CN)C2)C1 ZINC000409434027 343831063 /nfs/dbraw/zinc/83/10/63/343831063.db2.gz NXMHDJLEXJYXOZ-ZYHUDNBSSA-N 0 3 242.319 0.132 40 0 BCABHN N=C(CN1CCOC[C@@H]2CCCC[C@H]21)NO ZINC000409434372 343831590 /nfs/dbraw/zinc/83/15/90/343831590.db2.gz OWPZWWSEMPFJSL-VHSXEESVSA-N 0 3 227.308 0.833 40 0 BCABHN N=C(CN1CCOC[C@H]2CCCC[C@@H]21)NO ZINC000409434373 343831597 /nfs/dbraw/zinc/83/15/97/343831597.db2.gz OWPZWWSEMPFJSL-ZJUUUORDSA-N 0 3 227.308 0.833 40 0 BCABHN COC[C@H]1CN(C(=O)[C@H](C)N)CC12CCC2 ZINC000409434483 343831627 /nfs/dbraw/zinc/83/16/27/343831627.db2.gz PLAYOKFXBVZUCQ-VHSXEESVSA-N 0 3 226.320 0.609 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCC[C@]2(COC)C1 ZINC000409435195 343832787 /nfs/dbraw/zinc/83/27/87/343832787.db2.gz SWBIMTMTJASLGJ-CMPLNLGQSA-N 0 3 226.320 0.481 40 0 BCABHN CNCC(=O)N1CCc2cc(CO)ccc21 ZINC000409435499 343833919 /nfs/dbraw/zinc/83/39/19/343833919.db2.gz VAOFCZPKJRPFHH-UHFFFAOYSA-N 0 3 220.272 0.287 40 0 BCABHN CCOC[C@H]1CC(F)(F)CN1C(=O)[C@H](C)N ZINC000409435613 343834498 /nfs/dbraw/zinc/83/44/98/343834498.db2.gz VTWSTBQOCUTCAV-JGVFFNPUSA-N 0 3 236.262 0.606 40 0 BCABHN CCC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1O ZINC000409434709 343834613 /nfs/dbraw/zinc/83/46/13/343834613.db2.gz QGIDWYPIGCZRRY-AEJSXWLSSA-N 0 3 214.309 0.343 40 0 BCABHN CCOC[C@@H]1CN(C(=O)CN)C[C@@H]1C ZINC000409435666 343834930 /nfs/dbraw/zinc/83/49/30/343834930.db2.gz WCENHHVLZGMUGX-IUCAKERBSA-N 0 3 200.282 0.076 40 0 BCABHN CCC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1O ZINC000409434712 343834991 /nfs/dbraw/zinc/83/49/91/343834991.db2.gz QGIDWYPIGCZRRY-OPRDCNLKSA-N 0 3 214.309 0.343 40 0 BCABHN CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1O ZINC000409434947 343835307 /nfs/dbraw/zinc/83/53/07/343835307.db2.gz RKTYEFUBGVNWNN-WOPDTQHZSA-N 0 3 240.347 0.748 40 0 BCABHN CO[C@@H]1CCO[C@@]2(CCN(CCO)C2)C1 ZINC000409435054 343835731 /nfs/dbraw/zinc/83/57/31/343835731.db2.gz SCTJRWBKJZWMRO-MNOVXSKESA-N 0 3 215.293 0.249 40 0 BCABHN CCOC[C@H]1CN(C(=O)CN)CC1(C)C ZINC000409435074 343836371 /nfs/dbraw/zinc/83/63/71/343836371.db2.gz SEIFTDANDZSGBR-SECBINFHSA-N 0 3 214.309 0.466 40 0 BCABHN COC[C@@H]1CN(C(=O)CN)CC12CCCC2 ZINC000409435979 343836508 /nfs/dbraw/zinc/83/65/08/343836508.db2.gz XOIMXIPZWGRJSS-JTQLQIEISA-N 0 3 226.320 0.610 40 0 BCABHN CCC[C@H]1CN(C(=O)CNC)CC[C@@H]1O ZINC000409436092 343837165 /nfs/dbraw/zinc/83/71/65/343837165.db2.gz YBDHIBKMWUWRBH-UWVGGRQHSA-N 0 3 214.309 0.215 40 0 BCABHN COC[C@H]1CC(F)(F)CN1CC(=N)NO ZINC000409436421 343837406 /nfs/dbraw/zinc/83/74/06/343837406.db2.gz ZQFGZZQIWABGRN-ZCFIWIBFSA-N 0 3 223.223 0.298 40 0 BCABHN CCC[C@H]1CN(C(=O)CNC)CC[C@H]1O ZINC000409436093 343837653 /nfs/dbraw/zinc/83/76/53/343837653.db2.gz YBDHIBKMWUWRBH-VHSXEESVSA-N 0 3 214.309 0.215 40 0 BCABHN CO[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H](C)N)C2)C1 ZINC000409436218 343837824 /nfs/dbraw/zinc/83/78/24/343837824.db2.gz YSXYCFGDHWPYDS-CKYFFXLPSA-N 0 3 242.319 0.130 40 0 BCABHN CNCC(=O)N1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409436225 343838223 /nfs/dbraw/zinc/83/82/23/343838223.db2.gz YTLQDLMHRSKIDT-PWSUYJOCSA-N 0 3 226.320 0.217 40 0 BCABHN CN1CCN(c2ccc([C@@H](O)CN)o2)CC1 ZINC000409442678 343863904 /nfs/dbraw/zinc/86/39/04/343863904.db2.gz ZBDWGWKGIYHDAX-VIFPVBQESA-N 0 3 225.292 0.024 40 0 BCABHN Cc1ccc(-c2ccc(=O)n(CCN)n2)o1 ZINC000575622130 343868675 /nfs/dbraw/zinc/86/86/75/343868675.db2.gz GPSVCADHMBETOT-UHFFFAOYSA-N 0 3 219.244 0.770 40 0 BCABHN Cc1nc(Cl)cc(N2CCNCC2)n1 ZINC000070616285 343952774 /nfs/dbraw/zinc/95/27/74/343952774.db2.gz MKBGDVZJPSGBCB-UHFFFAOYSA-N 0 3 212.684 0.848 40 0 BCABHN Cc1cccc(OC[C@]2(O)CNCCOC2)c1 ZINC000585269544 344391753 /nfs/dbraw/zinc/39/17/53/344391753.db2.gz YNBRRUZYPLKABN-ZDUSSCGKSA-N 0 3 237.299 0.725 40 0 BCABHN Cc1nn(C)c(C)c1CN1CC[C@H](O)C1 ZINC000075135138 345843465 /nfs/dbraw/zinc/84/34/65/345843465.db2.gz IJASTZFFCNZPQM-JTQLQIEISA-N 0 3 209.293 0.604 40 0 BCABHN Cc1nn(C)c(C)c1CN1CCC(O)CC1 ZINC000075151762 345845546 /nfs/dbraw/zinc/84/55/46/345845546.db2.gz UCVQWZIBBOHAKX-UHFFFAOYSA-N 0 3 223.320 0.994 40 0 BCABHN NC[C@@H](O)c1ccc(N2CCOCC2)o1 ZINC000082964829 345914534 /nfs/dbraw/zinc/91/45/34/345914534.db2.gz TXQHXSMFZYRVHQ-MRVPVSSYSA-N 0 3 212.249 0.108 40 0 BCABHN COc1cc(CN2CC(N)C2)cc(OC)c1 ZINC000083634882 345919330 /nfs/dbraw/zinc/91/93/30/345919330.db2.gz WVOJMAFLPOKLLT-UHFFFAOYSA-N 0 3 222.288 0.847 40 0 BCABHN NC1CN(C(=O)/C=C/c2cccs2)C1 ZINC000083635068 345919509 /nfs/dbraw/zinc/91/95/09/345919509.db2.gz KDNGFMARDOVGPN-ONEGZZNKSA-N 0 3 208.286 0.931 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H](NC2CC2)[C@@H](O)C1 ZINC000210537550 347102191 /nfs/dbraw/zinc/10/21/91/347102191.db2.gz FLYJWEBTYFZRRY-ZJUUUORDSA-N 0 3 242.319 0.719 40 0 BCABHN O=C(c1cccnc1)N1CCCNCC1 ZINC000019679984 347517463 /nfs/dbraw/zinc/51/74/63/347517463.db2.gz JDDXUZXAUSXXCY-UHFFFAOYSA-N 0 3 205.261 0.517 40 0 BCABHN COC[C@@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409433656 350472008 /nfs/dbraw/zinc/47/20/08/350472008.db2.gz NBUXCPSLLUGLCL-MRVPVSSYSA-N 0 3 240.225 0.373 40 0 BCABHN Cc1ccc(OCC(=O)N2CC(N)C2)cc1 ZINC000409424621 350475889 /nfs/dbraw/zinc/47/58/89/350475889.db2.gz XBEVPXHWFDZFEI-UHFFFAOYSA-N 0 3 220.272 0.543 40 0 BCABHN CNCC(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000409423977 350475956 /nfs/dbraw/zinc/47/59/56/350475956.db2.gz AXLWTLOPPQQFKX-LBPRGKRZSA-N 0 3 226.320 0.768 40 0 BCABHN CCOC1(C(F)(F)F)CN(C(=O)[C@H](C)N)C1 ZINC000409436474 350478378 /nfs/dbraw/zinc/47/83/78/350478378.db2.gz ZZJZTMQWYXZYJQ-LURJTMIESA-N 0 3 240.225 0.513 40 0 BCABHN CCOC1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C1 ZINC000409436475 350478656 /nfs/dbraw/zinc/47/86/56/350478656.db2.gz ZZJZTMQWYXZYJQ-ZCFIWIBFSA-N 0 3 240.225 0.513 40 0 BCABHN NCc1c2c(nn1CC1CC1)CCOC2 ZINC000409436795 350479645 /nfs/dbraw/zinc/47/96/45/350479645.db2.gz ARRGJUIUIRIEAS-UHFFFAOYSA-N 0 3 207.277 0.825 40 0 BCABHN COc1ccc([C@@H](N)c2nnc[nH]2)cc1 ZINC000083746250 188143543 /nfs/dbraw/zinc/14/35/43/188143543.db2.gz UNIAMHRLIUGVSK-SECBINFHSA-N 0 3 204.233 0.861 40 0 BCABHN CC(C)n1nc(N)cc1C(=O)NCCN(C)C ZINC000685936485 538757084 /nfs/dbraw/zinc/75/70/84/538757084.db2.gz AGGXTQICIJKDMM-UHFFFAOYSA-N 0 3 239.323 0.338 40 0 BCABHN NCC(=O)N(Cc1cncs1)C1CC1 ZINC000079422155 181348390 /nfs/dbraw/zinc/34/83/90/181348390.db2.gz VSLKMVFWNHBJRS-UHFFFAOYSA-N 0 3 211.290 0.593 40 0 BCABHN NCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000079404053 181352552 /nfs/dbraw/zinc/35/25/52/181352552.db2.gz UFPNGJVADXICDU-ZDUSSCGKSA-N 0 3 247.342 0.726 40 0 BCABHN O=C1N(Cc2ccccc2)C[C@H]2CNC[C@@]12F ZINC000108536682 182789505 /nfs/dbraw/zinc/78/95/05/182789505.db2.gz TXBZFFIOXLJMPY-YPMHNXCESA-N 0 3 234.274 0.957 40 0 BCABHN CCOCCCNC(=O)[C@H](N)[C@@H](C)CC ZINC000019509844 170379053 /nfs/dbraw/zinc/37/90/53/170379053.db2.gz XQUMOYPQVGKMRS-VHSXEESVSA-N 0 3 216.325 0.903 40 0 BCABHN OCCN1CCC(Cc2cnccn2)CC1 ZINC000072356900 183071672 /nfs/dbraw/zinc/07/16/72/183071672.db2.gz GFHWIYZUWDYAQW-UHFFFAOYSA-N 0 3 221.304 0.723 40 0 BCABHN OCc1cn([C@@H]2CCCN(C3CCC3)C2)nn1 ZINC000328775558 183169073 /nfs/dbraw/zinc/16/90/73/183169073.db2.gz KQVACKMILQEJMQ-GFCCVEGCSA-N 0 3 236.319 0.960 40 0 BCABHN N=C(CN1C[C@@H](CO)[C@H](C(F)(F)F)C1)NO ZINC000409435302 383837276 /nfs/dbraw/zinc/83/72/76/383837276.db2.gz UBXXCZIKVSIJHY-NTSWFWBYSA-N 0 3 241.213 0.045 40 0 BCABHN CO[C@H]1CCO[C@]2(CCCN(CCO)C2)C1 ZINC000409434130 383829007 /nfs/dbraw/zinc/82/90/07/383829007.db2.gz ODFDTEUBQDAUTN-NWDGAFQWSA-N 0 3 229.320 0.639 40 0 BCABHN C[C@@H](N)C(=O)N1CCC2(CCCCO2)CC1 ZINC000409433885 383829300 /nfs/dbraw/zinc/82/93/00/383829300.db2.gz ZFFYFZWTZYZXBY-SNVBAGLBSA-N 0 3 226.320 0.895 40 0 BCABHN CN[C@H](CO)c1ccc(OC)c(OC)c1 ZINC000038121260 384073527 /nfs/dbraw/zinc/07/35/27/384073527.db2.gz KJDSGOHHUKXYOI-SECBINFHSA-N 0 3 211.261 0.957 40 0 BCABHN C[C@]1(CC[NH+]2CCCC2)NC(=O)[N-]C1=O ZINC000004945817 384091456 /nfs/dbraw/zinc/09/14/56/384091456.db2.gz JHIQAJFKMHMNNW-SNVBAGLBSA-N 0 3 211.265 0.070 40 0 BCABHN CO[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392060 384133150 /nfs/dbraw/zinc/13/31/50/384133150.db2.gz KCPRFHIWNOQCIV-ZJUUUORDSA-N 0 3 214.309 0.607 40 0 BCABHN CO[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392051 384133305 /nfs/dbraw/zinc/13/33/05/384133305.db2.gz HQMGSIVIURSYHH-BDAKNGLRSA-N 0 3 200.282 0.217 40 0 BCABHN CC(=O)N1CCC[C@H]1CN(CCO)C1CC1 ZINC000079405470 384133362 /nfs/dbraw/zinc/13/33/62/384133362.db2.gz USHOFHQECCKRLF-LBPRGKRZSA-N 0 3 226.320 0.454 40 0 BCABHN CCN(CCO)C[C@H]1CCCN1C(C)=O ZINC000079405333 384133469 /nfs/dbraw/zinc/13/34/69/384133469.db2.gz ODHACJVWSDKCHO-LLVKDONJSA-N 0 3 214.309 0.312 40 0 BCABHN CC(=O)N1CC[C@H](N(CCO)C2CC2)C1 ZINC000079405456 384132195 /nfs/dbraw/zinc/13/21/95/384132195.db2.gz NKSBJISOMADKDY-NSHDSACASA-N 0 3 212.293 0.064 40 0 BCABHN CC(=O)N[C@@H]1CCCC[C@@H]1N(C)CCO ZINC000079405309 384132771 /nfs/dbraw/zinc/13/27/71/384132771.db2.gz PAQWQXHHQFYBJS-MNOVXSKESA-N 0 3 214.309 0.358 40 0 BCABHN C[C@H](N)C(=O)NCC(=O)c1cccs1 ZINC000079436309 384146676 /nfs/dbraw/zinc/14/66/76/384146676.db2.gz LZKDVHYQEVDLAU-LURJTMIESA-N 0 3 212.274 0.394 40 0 BCABHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cnccn1 ZINC000079435822 384146849 /nfs/dbraw/zinc/14/68/49/384146849.db2.gz JVLHGCWGZKTSPS-SCZZXKLOSA-N 0 3 222.292 0.637 40 0 BCABHN CC(C)N(C(=O)CN)[C@@H](C)c1cnccn1 ZINC000079435603 384146860 /nfs/dbraw/zinc/14/68/60/384146860.db2.gz BKNLIIXPDOFGCC-VIFPVBQESA-N 0 3 222.292 0.733 40 0 BCABHN CC(C)N(Cc1cnccn1)C(=O)[C@H](C)N ZINC000079435698 384146903 /nfs/dbraw/zinc/14/69/03/384146903.db2.gz QSNPOWHHCZPQEY-VIFPVBQESA-N 0 3 222.292 0.561 40 0 BCABHN CC(C)[C@H](N)C(=O)NCc1ccc(Cl)nn1 ZINC000079435874 384146923 /nfs/dbraw/zinc/14/69/23/384146923.db2.gz RAALMYPTOGZVAC-VIFPVBQESA-N 0 3 242.710 0.730 40 0 BCABHN CCN(C[C@@H]1CCCN(CCO)C1)C(C)=O ZINC000079416453 384138842 /nfs/dbraw/zinc/13/88/42/384138842.db2.gz DHOPRZQTHZKBBG-GFCCVEGCSA-N 0 3 228.336 0.559 40 0 BCABHN CC(=O)N(C[C@H]1CCCN(CCO)C1)C(C)C ZINC000079416526 384138866 /nfs/dbraw/zinc/13/88/66/384138866.db2.gz RYSQBIPXQADSJX-ZDUSSCGKSA-N 0 3 242.363 0.948 40 0 BCABHN CC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000079417561 384139546 /nfs/dbraw/zinc/13/95/46/384139546.db2.gz FTADPLYLTURQIP-GXSJLCMTSA-N 0 3 241.335 0.193 40 0 BCABHN CC(=O)N(C1CC1)[C@@H]1CCCN(CCO)C1 ZINC000079416571 384139659 /nfs/dbraw/zinc/13/96/59/384139659.db2.gz ORVBHWNDFMSBTF-GFCCVEGCSA-N 0 3 226.320 0.454 40 0 BCABHN CC(=O)N(C)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000079417581 384139701 /nfs/dbraw/zinc/13/97/01/384139701.db2.gz BBVHCGFVUAQGOB-VIFPVBQESA-N 0 3 241.335 0.051 40 0 BCABHN CC(C)[N@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079419729 384142576 /nfs/dbraw/zinc/14/25/76/384142576.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)[N@@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079419729 384142580 /nfs/dbraw/zinc/14/25/80/384142580.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)N(C)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079419729 384142586 /nfs/dbraw/zinc/14/25/86/384142586.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 0 3 214.309 0.733 40 0 BCABHN CC(C)N(C)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079419729 384142592 /nfs/dbraw/zinc/14/25/92/384142592.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 0 3 214.309 0.733 40 0 BCABHN Cc1cncnc1C1CCN(CCO)CC1 ZINC000072356866 384210075 /nfs/dbraw/zinc/21/00/75/384210075.db2.gz LZHSVBGIBPYTQD-UHFFFAOYSA-N 0 3 221.304 0.957 40 0 BCABHN CN1CCC(c2cc(CCO)[nH]n2)CC1 ZINC000072381199 384216161 /nfs/dbraw/zinc/21/61/61/384216161.db2.gz QVKVBOPZBYPUHP-UHFFFAOYSA-N 0 3 209.293 0.754 40 0 BCABHN CN1CCC(c2cc(CCO)n[nH]2)CC1 ZINC000072381199 384216164 /nfs/dbraw/zinc/21/61/64/384216164.db2.gz QVKVBOPZBYPUHP-UHFFFAOYSA-N 0 3 209.293 0.754 40 0 BCABHN Cn1cc(CN2CCC[C@](C)(C(N)=O)C2)cn1 ZINC000072378227 384216618 /nfs/dbraw/zinc/21/66/18/384216618.db2.gz PNTMBCBWVPFTPN-LBPRGKRZSA-N 0 3 236.319 0.508 40 0 BCABHN COCCn1cnnc1C1CCN(C)CC1 ZINC000072382216 384220385 /nfs/dbraw/zinc/22/03/85/384220385.db2.gz MQMGDWCVPCGIIL-UHFFFAOYSA-N 0 3 224.308 0.734 40 0 BCABHN Cn1ncc(CN)c1CN1CCCCC1 ZINC000082640802 384254190 /nfs/dbraw/zinc/25/41/90/384254190.db2.gz GDYOSIRWUBMAFP-UHFFFAOYSA-N 0 3 208.309 0.865 40 0 BCABHN O=C1C[C@H]2[C@H](CCN2CCO)N1c1cccnc1 ZINC000096246036 384447042 /nfs/dbraw/zinc/44/70/42/384447042.db2.gz OQCZYVFXNKEBKJ-RYUDHWBXSA-N 0 3 247.298 0.254 40 0 BCABHN O=C(C1CCCCC1)N1CCOC2(CNC2)C1 ZINC000096051004 384429654 /nfs/dbraw/zinc/42/96/54/384429654.db2.gz UUEMWZBVJWUGKV-UHFFFAOYSA-N 0 3 238.331 0.768 40 0 BCABHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CN)C1 ZINC000079426914 384496293 /nfs/dbraw/zinc/49/62/93/384496293.db2.gz GEXOPEYXEGXYMT-MRVPVSSYSA-N 0 3 243.307 0.071 40 0 BCABHN CC(C)(C)OC(=O)N1CCNC[C@H](O)C1 ZINC000083299753 384758522 /nfs/dbraw/zinc/75/85/22/384758522.db2.gz GBVLDEOLVSGEJQ-QMMMGPOBSA-N 0 3 216.281 0.188 40 0 BCABHN FC(F)(F)c1ccnc(NC2CNC2)n1 ZINC000085256599 384770632 /nfs/dbraw/zinc/77/06/32/384770632.db2.gz GWJDHTAYFGGNOX-UHFFFAOYSA-N 0 3 218.182 0.879 40 0 BCABHN Cn1c(=O)c2cccnc2nc1[C@@H]1CCCN1 ZINC000252481189 384887364 /nfs/dbraw/zinc/88/73/64/384887364.db2.gz CIGCBFFYRUISJZ-VIFPVBQESA-N 0 3 230.271 0.753 40 0 BCABHN CCOC(=O)[C@@H](CN)C(C)(C)N1CCOCC1 ZINC000072210412 385068622 /nfs/dbraw/zinc/06/86/22/385068622.db2.gz ONHMOHSIGMNEJT-SNVBAGLBSA-N 0 3 244.335 0.235 40 0 BCABHN c1nc(N2CCOCC2)ncc1CNC1CC1 ZINC000048326636 385186767 /nfs/dbraw/zinc/18/67/67/385186767.db2.gz MHVWUHMBQUHCEY-UHFFFAOYSA-N 0 3 234.303 0.565 40 0 BCABHN N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000062209366 385165770 /nfs/dbraw/zinc/16/57/70/385165770.db2.gz BIWGSXQRPDRLJY-PWSUYJOCSA-N 0 3 217.272 0.845 40 0 BCABHN C[C@H](NC[C@H]1CCCO1)C(=O)N1CCOCC1 ZINC000004969153 385180227 /nfs/dbraw/zinc/18/02/27/385180227.db2.gz GFPYYFCRILKXIK-WDEREUQCSA-N 0 3 242.319 0.002 40 0 BCABHN NCCn1ccn(-c2ccccc2F)c(=O)c1=O ZINC000096517315 385254556 /nfs/dbraw/zinc/25/45/56/385254556.db2.gz JEMRWBFZYFACRS-UHFFFAOYSA-N 0 3 249.245 0.097 40 0 BCABHN NCCn1ccn(-c2ccc(F)cc2)c(=O)c1=O ZINC000096517316 385254838 /nfs/dbraw/zinc/25/48/38/385254838.db2.gz ZYLSVPYRTPHJCF-UHFFFAOYSA-N 0 3 249.245 0.097 40 0 BCABHN O=c1c2c(nc3n1CCCCC3)CCNC2 ZINC000096515868 385258724 /nfs/dbraw/zinc/25/87/24/385258724.db2.gz HDCLTIKDXDGPDW-UHFFFAOYSA-N 0 3 219.288 0.615 40 0 BCABHN Cn1ccc(CNCCN2CCCC2)n1 ZINC000096524387 385275156 /nfs/dbraw/zinc/27/51/56/385275156.db2.gz ABOCWIQNPFBYSL-UHFFFAOYSA-N 0 3 208.309 0.606 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@@H](CO)C[C@@H]1C ZINC000096532288 385282041 /nfs/dbraw/zinc/28/20/41/385282041.db2.gz HXNBCANTWUXVAR-GUBZILKMSA-N 0 3 235.349 0.157 40 0 BCABHN CO[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000234798902 385325517 /nfs/dbraw/zinc/32/55/17/385325517.db2.gz FPZQKYUOJPOXNB-UWVGGRQHSA-N 0 3 212.293 0.376 40 0 BCABHN O=c1c2c(cnn1CC(F)F)CCNC2 ZINC000095098025 385483763 /nfs/dbraw/zinc/48/37/63/385483763.db2.gz RMSCQHJKCAOKPD-UHFFFAOYSA-N 0 3 215.203 0.154 40 0 BCABHN CC(=O)N[C@@H]1CN(CCC(C)(C)C)C[C@H]1O ZINC000257302646 385762529 /nfs/dbraw/zinc/76/25/29/385762529.db2.gz SDRNCLAJCILOQT-GHMZBOCLSA-N 0 3 228.336 0.604 40 0 BCABHN O=C([C@@H]1CNCc2ccnn2C1)N1CCCC1 ZINC000306135969 385991169 /nfs/dbraw/zinc/99/11/69/385991169.db2.gz PFFIJQAAQFFWMI-SNVBAGLBSA-N 0 3 234.303 0.225 40 0 BCABHN NC[C@@H]1CCN(c2ccc(F)cc2)S1(=O)=O ZINC000222542498 386051588 /nfs/dbraw/zinc/05/15/88/386051588.db2.gz IQMSUWMFONKHDT-JTQLQIEISA-N 0 3 244.291 0.693 40 0 BCABHN N[C@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000062209368 386574891 /nfs/dbraw/zinc/57/48/91/386574891.db2.gz BIWGSXQRPDRLJY-JQWIXIFHSA-N 0 3 217.272 0.845 40 0 BCABHN CSCC[C@@H](N)C(=O)NCC(C)C ZINC000062725431 387122872 /nfs/dbraw/zinc/12/28/72/387122872.db2.gz RPOCUBZRQODHOG-MRVPVSSYSA-N 0 3 204.339 0.839 40 0 BCABHN O=c1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)[n-]1 ZINC000242539051 387128933 /nfs/dbraw/zinc/12/89/33/387128933.db2.gz JMXXAQYGEFKPCR-VIFPVBQESA-N 0 3 220.276 0.467 40 0 BCABHN O=c1ccnc(N2CC[N@H+]3CCC[C@H]3C2)[n-]1 ZINC000242539051 387128938 /nfs/dbraw/zinc/12/89/38/387128938.db2.gz JMXXAQYGEFKPCR-VIFPVBQESA-N 0 3 220.276 0.467 40 0 BCABHN c1cc(N2CCNCC2)nnc1N[C@H]1CCCO1 ZINC000026444427 387348281 /nfs/dbraw/zinc/34/82/81/387348281.db2.gz UTTOOVFWJHRWSS-GFCCVEGCSA-N 0 3 249.318 0.435 40 0 BCABHN Cn1c(=O)c2cnccc2nc1[C@@H]1CCCN1 ZINC000242620189 388400106 /nfs/dbraw/zinc/40/01/06/388400106.db2.gz PXMAYDOWPPYQOB-JTQLQIEISA-N 0 3 230.271 0.753 40 0 BCABHN Cn1cc(O)c(=O)cc1CN1CCCC1 ZINC000062392463 388650954 /nfs/dbraw/zinc/65/09/54/388650954.db2.gz IOANKBZCTYIVIL-UHFFFAOYSA-N 0 3 208.261 0.687 40 0 BCABHN CCNc1ncc(CN[C@H](CC)CO)cn1 ZINC000062717526 388656093 /nfs/dbraw/zinc/65/60/93/388656093.db2.gz YTFZXUWBTAWDNG-SNVBAGLBSA-N 0 3 224.308 0.769 40 0 BCABHN O=C(C1CCN(C[C@H]2CO2)CC1)N1CCCC1 ZINC000095097805 388759673 /nfs/dbraw/zinc/75/96/73/388759673.db2.gz VNFQGAQAVAPRFP-LBPRGKRZSA-N 0 3 238.331 0.720 40 0 BCABHN CCN(CC)C(=O)C1CCN(C[C@H]2CO2)CC1 ZINC000095097803 388759893 /nfs/dbraw/zinc/75/98/93/388759893.db2.gz JKDHZRAMSHSUCW-LBPRGKRZSA-N 0 3 240.347 0.966 40 0 BCABHN N[C@H](c1nc(CO)n[nH]1)c1ccccc1 ZINC000095533488 388776535 /nfs/dbraw/zinc/77/65/35/388776535.db2.gz FIEOVZLHPKHNLQ-VIFPVBQESA-N 0 3 204.233 0.345 40 0 BCABHN CCn1ncc(N2CCNCC2)c(Cl)c1=O ZINC000019690075 132326319 /nfs/dbraw/zinc/32/63/19/132326319.db2.gz NYLSVDYIFMHBGH-UHFFFAOYSA-N 0 3 242.710 0.326 40 0 BCABHN C[C@@H](O)c1ccc(N2CCNCC2)nc1 ZINC000072225507 322909020 /nfs/dbraw/zinc/90/90/20/322909020.db2.gz PSWHBRMTNRRMRU-SECBINFHSA-N 0 3 207.277 0.545 40 0 BCABHN CC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000123797664 168177765 /nfs/dbraw/zinc/17/77/65/168177765.db2.gz PGAIBNQYIRKFMY-UHFFFAOYSA-N 0 3 239.363 0.492 40 0 BCABHN CCN(C[C@H]1CCCN(C(=O)CN)C1)C(C)=O ZINC000079417316 169897344 /nfs/dbraw/zinc/89/73/44/169897344.db2.gz BOTORAFDGUFMEX-LLVKDONJSA-N 0 3 241.335 0.052 40 0 BCABHN CCOC1CCN(C(=O)CNC)CC1 ZINC000040690020 170332324 /nfs/dbraw/zinc/33/23/24/170332324.db2.gz PUSJYPGVKURBGH-UHFFFAOYSA-N 0 3 200.282 0.233 40 0 BCABHN CCOCC(=O)N1CC[C@@]2(CCN2CC)C1 ZINC000096075923 170341943 /nfs/dbraw/zinc/34/19/43/170341943.db2.gz ZVTREHVMOSMMLN-GFCCVEGCSA-N 0 3 226.320 0.720 40 0 BCABHN CN1CCC(n2cc(N)ccc2=O)CC1 ZINC000095097354 173002017 /nfs/dbraw/zinc/00/20/17/173002017.db2.gz ZFUNYAPRQQMMHV-UHFFFAOYSA-N 0 3 207.277 0.697 40 0 BCABHN CN1CCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407022 173052837 /nfs/dbraw/zinc/05/28/37/173052837.db2.gz QYHYXKDOOAEMBY-JTQLQIEISA-N 0 3 211.309 0.030 40 0 BCABHN CN1CCOC[C@@H](Cc2ncccn2)C1 ZINC000257304405 173099154 /nfs/dbraw/zinc/09/91/54/173099154.db2.gz SLMRIGNNEZHCMV-JTQLQIEISA-N 0 3 207.277 0.597 40 0 BCABHN CN1CCOC[C@H](Cc2cnccn2)C1 ZINC000257281529 173099925 /nfs/dbraw/zinc/09/99/25/173099925.db2.gz OPQCVLNQXKWTPI-SNVBAGLBSA-N 0 3 207.277 0.597 40 0 BCABHN CN1CC[C@@](O)(c2ccccc2)[C@H](O)C1 ZINC000005496263 173139414 /nfs/dbraw/zinc/13/94/14/173139414.db2.gz HAATVDDNXGDFHD-VXGBXAGGSA-N 0 3 207.273 0.571 40 0 BCABHN CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004777743 173189392 /nfs/dbraw/zinc/18/93/92/173189392.db2.gz CULUKMPMGVXCEI-ZJUUUORDSA-N 0 3 204.273 0.897 40 0 biogenic,in-vitro BCABHN CNCC(=O)N1CCC[C@@]1(C)c1nc(C)no1 ZINC000257267930 173326930 /nfs/dbraw/zinc/32/69/30/173326930.db2.gz MJMQPAGKLPMWNJ-NSHDSACASA-N 0 3 238.291 0.435 40 0 BCABHN CNCC(=O)N1CCO[C@H](c2ccccn2)C1 ZINC000072383412 173327283 /nfs/dbraw/zinc/32/72/83/173327283.db2.gz UJHBLGJNYSQRBE-NSHDSACASA-N 0 3 235.287 0.201 40 0 BCABHN COCCN(CCOC)C(=O)[C@H]1CCCCN1 ZINC000036200065 174296467 /nfs/dbraw/zinc/29/64/67/174296467.db2.gz UFJBAAYXGAUMHN-LLVKDONJSA-N 0 3 244.335 0.250 40 0 BCABHN COCCNC(=O)C1CCN(C)CC1 ZINC000074707292 174319321 /nfs/dbraw/zinc/31/93/21/174319321.db2.gz NJLSFNZSOOHKMW-UHFFFAOYSA-N 0 3 200.282 0.091 40 0 BCABHN COc1ccc([C@@H]2CNCCN2)cc1OC ZINC000038531978 175183771 /nfs/dbraw/zinc/18/37/71/175183771.db2.gz XMTDOVQYBQWJAL-JTQLQIEISA-N 0 3 222.288 0.938 40 0 BCABHN COc1ccccc1O[C@H]1COC[C@H]1N ZINC000218680599 175343014 /nfs/dbraw/zinc/34/30/14/175343014.db2.gz XIYXTVMUMMXJEK-KCJUWKMLSA-N 0 3 209.245 0.800 40 0 BCABHN C[C@@H](N)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000072220515 175797689 /nfs/dbraw/zinc/79/76/89/175797689.db2.gz HKZYPDYSLHVXQV-MRVPVSSYSA-N 0 3 246.270 0.700 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1C ZINC000072397673 176324614 /nfs/dbraw/zinc/32/46/14/176324614.db2.gz JNZVIYABDNXLCR-KWCYVHTRSA-N 0 3 249.358 0.664 40 0 BCABHN N=C(CN1CCc2c1cccc2CO)NO ZINC000409433771 490243888 /nfs/dbraw/zinc/24/38/88/490243888.db2.gz NMGMFEXJYYSIQF-UHFFFAOYSA-N 0 3 221.260 0.497 40 0 BCABHN CCOCCCNC(=O)CNC[C@H]1CCCO1 ZINC000004895451 521710767 /nfs/dbraw/zinc/71/07/67/521710767.db2.gz OORKCSNPGMBSPL-LLVKDONJSA-N 0 3 244.335 0.298 40 0 BCABHN O=C(CNC[C@H]1CCCO1)NCc1ccco1 ZINC000004969123 526881634 /nfs/dbraw/zinc/88/16/34/526881634.db2.gz ZBSZREBSUMKEON-SNVBAGLBSA-N 0 3 238.287 0.664 40 0 BCABHN Cc1ccc2c(c1)CN(C(=O)CN)CCO2 ZINC000213716518 349515273 /nfs/dbraw/zinc/51/52/73/349515273.db2.gz OAANVCHQMWLDOG-UHFFFAOYSA-N 0 3 220.272 0.675 40 0 BCABHN CCOC(=O)[C@@H](N)C(C)(C)N1CCCC1 ZINC000072210596 259317344 /nfs/dbraw/zinc/31/73/44/259317344.db2.gz UMEOJHFLARKXNN-SECBINFHSA-N 0 3 214.309 0.751 40 0 BCABHN CC(=O)CC(=O)O[C@H]1CN2CCC1CC2 ZINC000004897283 342754062 /nfs/dbraw/zinc/75/40/62/342754062.db2.gz SZFAZVMXRJOLKD-JTQLQIEISA-N 0 3 211.261 0.603 40 0 BCABHN COC(=O)[C@H](CN)c1ccc(OC)c(OC)c1 ZINC000005361219 342762548 /nfs/dbraw/zinc/76/25/48/342762548.db2.gz VZMZQIOEJUSLIX-SECBINFHSA-N 0 3 239.271 0.919 40 0 BCABHN CC(C)CNc1cc(N2CCNCC2)ncn1 ZINC000258975946 342811521 /nfs/dbraw/zinc/81/15/21/342811521.db2.gz ODHBIDDCCUAJRV-UHFFFAOYSA-N 0 3 235.335 0.954 40 0 BCABHN Cc1cc(CO)cnc1N1CCNCC1 ZINC000072222526 259320961 /nfs/dbraw/zinc/32/09/61/259320961.db2.gz DPCNLAURVCVLOG-UHFFFAOYSA-N 0 3 207.277 0.292 40 0 BCABHN Cn1c(SCCO)nnc1[C@H]1CCCN1 ZINC000012113575 342846593 /nfs/dbraw/zinc/84/65/93/342846593.db2.gz LYDWUXHAQLITQW-SSDOTTSWSA-N 0 3 228.321 0.324 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CCC(F)(F)C1 ZINC000259581565 343134943 /nfs/dbraw/zinc/13/49/43/343134943.db2.gz UIUXJYPCXNOKJA-QMMMGPOBSA-N 0 3 218.247 0.996 40 0 BCABHN COC(=O)[C@H](C)CNCc1ccncc1 ZINC000035133525 343286485 /nfs/dbraw/zinc/28/64/85/343286485.db2.gz ZHPRDCKCMOXKIN-SECBINFHSA-N 0 3 208.261 0.980 40 0 BCABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1C ZINC000044564419 343326356 /nfs/dbraw/zinc/32/63/56/343326356.db2.gz UGJNENWJXWXPDL-MNOVXSKESA-N 0 3 227.352 0.570 40 0 BCABHN C[C@H](N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035222941 343303449 /nfs/dbraw/zinc/30/34/49/343303449.db2.gz CYYISHHAQAKICG-AAEUAGOBSA-N 0 3 247.342 0.724 40 0 BCABHN CCOC[C@H]1CC(F)(F)CN1C(=O)CN ZINC000409427835 343802092 /nfs/dbraw/zinc/80/20/92/343802092.db2.gz FNVKXQZFCYYCPP-SSDOTTSWSA-N 0 3 222.235 0.218 40 0 BCABHN NCc1cn(-c2ccc3c(c2)OCCO3)nn1 ZINC000050224084 343782531 /nfs/dbraw/zinc/78/25/31/343782531.db2.gz ODGYBNHBRMCVTQ-UHFFFAOYSA-N 0 3 232.243 0.497 40 0 BCABHN CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000409428045 343802631 /nfs/dbraw/zinc/80/26/31/343802631.db2.gz YMHKHQUKZUMBSI-JTQLQIEISA-N 0 3 237.307 0.310 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@H](F)C1 ZINC000146268219 343788917 /nfs/dbraw/zinc/78/89/17/343788917.db2.gz GXDUSAKHZPJHBB-IUCAKERBSA-N 0 3 200.257 0.699 40 0 BCABHN CNCC(=O)N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000309519678 343790559 /nfs/dbraw/zinc/79/05/59/343790559.db2.gz SXVMOIGTRBRRAS-SFYZADRCSA-N 0 3 218.247 0.710 40 0 BCABHN NCCn1nc(C(F)(F)F)ccc1=O ZINC000214777907 343792503 /nfs/dbraw/zinc/79/25/03/343792503.db2.gz KGRSJJOKNBVWPJ-UHFFFAOYSA-N 0 3 207.155 0.221 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H](C)N)CC12CCCC2 ZINC000409426567 343798460 /nfs/dbraw/zinc/79/84/60/343798460.db2.gz CKDQBBOQKCJTEQ-QWRGUYRKSA-N 0 3 240.347 0.999 40 0 BCABHN OCc1cn(CC2CN(CC3CC3)C2)nn1 ZINC000409426631 343798597 /nfs/dbraw/zinc/79/85/97/343798597.db2.gz RNUIDFJINFHIQC-UHFFFAOYSA-N 0 3 222.292 0.112 40 0 BCABHN N=C(CN1C[C@@H]2CCCC[C@]2(CO)C1)NO ZINC000409427064 343800035 /nfs/dbraw/zinc/80/00/35/343800035.db2.gz DPJCYKBFVDWXJC-GXSJLCMTSA-N 0 3 227.308 0.427 40 0 BCABHN COC[C@H]1CCCN1C(=O)[C@@H]1CCCCN1 ZINC000409427106 343800070 /nfs/dbraw/zinc/80/00/70/343800070.db2.gz JOBKXXDPHKYNNK-MNOVXSKESA-N 0 3 226.320 0.766 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H](C)N)CC1(C)C ZINC000409427324 343800605 /nfs/dbraw/zinc/80/06/05/343800605.db2.gz DSXPFAGRLAWYLK-IUCAKERBSA-N 0 3 214.309 0.465 40 0 BCABHN CC(=O)N1CCCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427246 343800614 /nfs/dbraw/zinc/80/06/14/343800614.db2.gz VJPBBGHYRXWNTE-LLVKDONJSA-N 0 3 237.307 0.138 40 0 BCABHN O=c1c2c(nc3ccc(F)cn31)CCNC2 ZINC000409422081 343812887 /nfs/dbraw/zinc/81/28/87/343812887.db2.gz QMUMDWDQCSZILC-UHFFFAOYSA-N 0 3 219.219 0.479 40 0 BCABHN CC(C)(C)c1cc2c(=O)n(CCN)ccn2n1 ZINC000409422921 343814260 /nfs/dbraw/zinc/81/42/60/343814260.db2.gz MVCAZCOGIRUPKC-UHFFFAOYSA-N 0 3 234.303 0.752 40 0 BCABHN O=c1c2cc(F)ccc2nnn1C1CNC1 ZINC000409422982 343814274 /nfs/dbraw/zinc/81/42/74/343814274.db2.gz NKDPZNPVTOJLAJ-UHFFFAOYSA-N 0 3 220.207 0.075 40 0 BCABHN NC1CN(C(=O)Cn2cnc3ccccc32)C1 ZINC000409423210 343814896 /nfs/dbraw/zinc/81/48/96/343814896.db2.gz MJYSETSKVXNTFT-UHFFFAOYSA-N 0 3 230.271 0.206 40 0 BCABHN CCC(=O)N1CCC(n2cc(CN)nn2)CC1 ZINC000409423284 343815363 /nfs/dbraw/zinc/81/53/63/343815363.db2.gz BHADOVAGMAEWEH-UHFFFAOYSA-N 0 3 237.307 0.310 40 0 BCABHN NCCn1ccn2nc3c(c2c1=O)CCCC3 ZINC000409423743 343815902 /nfs/dbraw/zinc/81/59/02/343815902.db2.gz UOSHKWZECPUMFM-UHFFFAOYSA-N 0 3 232.287 0.334 40 0 BCABHN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1 ZINC000409424116 343816899 /nfs/dbraw/zinc/81/68/99/343816899.db2.gz BHFWCXZRWIHDTL-TUAOUCFPSA-N 0 3 240.347 0.890 40 0 BCABHN CC(C)CN1CC(Cn2cc(C=O)nn2)C1 ZINC000409425615 343819947 /nfs/dbraw/zinc/81/99/47/343819947.db2.gz MEJVYAHEDWERTK-UHFFFAOYSA-N 0 3 222.292 0.678 40 0 BCABHN C[C@H](N)C(=O)N1C[C@H](CO)C2(CCCC2)C1 ZINC000409425545 343819997 /nfs/dbraw/zinc/81/99/97/343819997.db2.gz AQBIFZYZNZRPBL-VHSXEESVSA-N 0 3 226.320 0.345 40 0 BCABHN Cc1cc(N2CCNCC2)nc(N2CCC2)n1 ZINC000409426087 343821538 /nfs/dbraw/zinc/82/15/38/343821538.db2.gz CVEZMYVMSOZXFN-UHFFFAOYSA-N 0 3 233.319 0.405 40 0 BCABHN CCc1nn(CC2CC2)c(=O)n1C1CNC1 ZINC000409426218 343821900 /nfs/dbraw/zinc/82/19/00/343821900.db2.gz OWPCXROHIZJXNJ-UHFFFAOYSA-N 0 3 222.292 0.162 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1C ZINC000409431803 343823017 /nfs/dbraw/zinc/82/30/17/343823017.db2.gz SUABIXOSMYRVOG-VGMNWLOBSA-N 0 3 200.282 0.075 40 0 BCABHN O=C1CC2(CNC2)Oc2cccc(O)c21 ZINC000409431944 343824775 /nfs/dbraw/zinc/82/47/75/343824775.db2.gz MMJDNNKEBGNCAI-UHFFFAOYSA-N 0 3 205.213 0.699 40 0 BCABHN CNCC(=O)N1CC[C@@H](O)[C@H](CC(C)C)C1 ZINC000409432284 343825774 /nfs/dbraw/zinc/82/57/74/343825774.db2.gz KXRIUKOJFHEQAM-GHMZBOCLSA-N 0 3 228.336 0.461 40 0 BCABHN CNCC(=O)N1C[C@@H](CO)C2(CCCC2)C1 ZINC000409433086 343826506 /nfs/dbraw/zinc/82/65/06/343826506.db2.gz MIGMFFLYPRPIKA-JTQLQIEISA-N 0 3 226.320 0.217 40 0 BCABHN CN1CCCN(c2ccc(=O)[nH]n2)CC1 ZINC000409428451 343803712 /nfs/dbraw/zinc/80/37/12/343803712.db2.gz FKKSVPMTXXCEPP-UHFFFAOYSA-N 0 3 208.265 0.324 40 0 BCABHN CCOC[C@H]1CC(F)(F)CN1CC(=N)NO ZINC000409429073 343804547 /nfs/dbraw/zinc/80/45/47/343804547.db2.gz HJBZWFPBIQIOHZ-SSDOTTSWSA-N 0 3 237.250 0.689 40 0 BCABHN CCOCc1cc(N2CCNCC2)nc(C)n1 ZINC000409429136 343804716 /nfs/dbraw/zinc/80/47/16/343804716.db2.gz IEVDRMWJPQESLR-UHFFFAOYSA-N 0 3 236.319 0.731 40 0 BCABHN COC[C@@H]1CN(CC(=N)NO)C[C@@H]1C ZINC000409429189 343805201 /nfs/dbraw/zinc/80/52/01/343805201.db2.gz OBZHUIZZQIPULA-YUMQZZPRSA-N 0 3 201.270 0.157 40 0 BCABHN N=C(CN(CC1CC1)C1CCOCC1)NO ZINC000409429963 343807014 /nfs/dbraw/zinc/80/70/14/343807014.db2.gz IATFKQHPDYAEAC-UHFFFAOYSA-N 0 3 227.308 0.833 40 0 BCABHN O[C@H]1CC2(CNC2)Oc2ccc(F)cc21 ZINC000409430148 343807553 /nfs/dbraw/zinc/80/75/53/343807553.db2.gz FQTBRDCONWDONG-VIFPVBQESA-N 0 3 209.220 0.984 40 0 BCABHN COC[C@@H]1CC(F)(F)CN1C(=O)[C@@H](C)N ZINC000409430622 343808704 /nfs/dbraw/zinc/80/87/04/343808704.db2.gz IRHDBNKQLHELJW-RQJHMYQMSA-N 0 3 222.235 0.216 40 0 BCABHN COC[C@@]12CN(C(=O)[C@@H](C)N)C[C@@H]1CCCC2 ZINC000409430861 343809215 /nfs/dbraw/zinc/80/92/15/343809215.db2.gz JFNNQWOSXKWIGE-NTZNESFSSA-N 0 3 240.347 0.999 40 0 BCABHN CCC[C@H]1CN(CC(=N)NO)CC[C@H]1O ZINC000409431125 343809968 /nfs/dbraw/zinc/80/99/68/343809968.db2.gz JLOMPFKYXNLAJN-DTWKUNHWSA-N 0 3 215.297 0.425 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1O ZINC000409433998 343831000 /nfs/dbraw/zinc/83/10/00/343831000.db2.gz NVPXUHFFSKDSHV-MXWKQRLJSA-N 0 3 228.336 0.589 40 0 BCABHN CNCC(=O)N1CCOC[C@@H]2CCCC[C@H]21 ZINC000409435176 343832519 /nfs/dbraw/zinc/83/25/19/343832519.db2.gz SSQKYDFJBSJJNR-WDEREUQCSA-N 0 3 226.320 0.623 40 0 BCABHN CNCC(=O)N1C[C@H]2CCC[C@@]2(COC)C1 ZINC000409435197 343832560 /nfs/dbraw/zinc/83/25/60/343832560.db2.gz SWBIMTMTJASLGJ-PWSUYJOCSA-N 0 3 226.320 0.481 40 0 BCABHN CCOC[C@H]1CN(C(=O)[C@H](C)N)CC12CCC2 ZINC000409435448 343833235 /nfs/dbraw/zinc/83/32/35/343833235.db2.gz URZIAPGPVUMOOZ-WDEREUQCSA-N 0 3 240.347 0.999 40 0 BCABHN CCOC[C@@H]1CC(F)(F)CN1C(=O)[C@@H](C)N ZINC000409435614 343834429 /nfs/dbraw/zinc/83/44/29/343834429.db2.gz VTWSTBQOCUTCAV-SFYZADRCSA-N 0 3 236.262 0.606 40 0 BCABHN CCOC[C@H]1CC(F)(F)CN1C(=O)[C@@H](C)N ZINC000409435612 343834447 /nfs/dbraw/zinc/83/44/47/343834447.db2.gz VTWSTBQOCUTCAV-HTQZYQBOSA-N 0 3 236.262 0.606 40 0 BCABHN NCC(F)(CN)Cc1cccc(F)c1 ZINC000585142219 343876725 /nfs/dbraw/zinc/87/67/25/343876725.db2.gz LOPCRXZPTZVYQW-UHFFFAOYSA-N 0 3 200.232 0.994 40 0 BCABHN c1cncc(OC[C@H]2CCOC23CNC3)c1 ZINC000585102824 344133829 /nfs/dbraw/zinc/13/38/29/344133829.db2.gz IZTWYEOLLVYVIJ-SNVBAGLBSA-N 0 3 220.272 0.839 40 0 BCABHN CN(C(=O)CN1CC(N)C1)c1ccccc1 ZINC000083636240 344180847 /nfs/dbraw/zinc/18/08/47/344180847.db2.gz DZUXQTKILGETPI-UHFFFAOYSA-N 0 3 219.288 0.292 40 0 BCABHN COc1cc(N2CCNCC2)nc(C)n1 ZINC000085483627 344206678 /nfs/dbraw/zinc/20/66/78/344206678.db2.gz AWELJSNWYMWPOC-UHFFFAOYSA-N 0 3 208.265 0.203 40 0 BCABHN CCN(CC)C(=O)Cn1cc(CN)cn1 ZINC000063169599 345468217 /nfs/dbraw/zinc/46/82/17/345468217.db2.gz GPZKPPDPARLHPX-UHFFFAOYSA-N 0 3 210.281 0.210 40 0 BCABHN CCOc1cc(N2CCNCC2)nc(C)n1 ZINC000085484082 345929239 /nfs/dbraw/zinc/92/92/39/345929239.db2.gz XNWYSOKWQBEMNE-UHFFFAOYSA-N 0 3 222.292 0.593 40 0 BCABHN NC1CN(CC(=O)N2CCCCCC2)C1 ZINC000082595696 345910046 /nfs/dbraw/zinc/91/00/46/345910046.db2.gz YLFBRHNKHKYDMC-UHFFFAOYSA-N 0 3 211.309 0.032 40 0 BCABHN C[C@H]1CCCCN1C(=O)CN1CC(N)C1 ZINC000083636156 345919433 /nfs/dbraw/zinc/91/94/33/345919433.db2.gz KLCBHYGPZASOPR-VIFPVBQESA-N 0 3 211.309 0.030 40 0 BCABHN Cc1csc(NC(=O)CN2CC(N)C2)n1 ZINC000083635970 345919629 /nfs/dbraw/zinc/91/96/29/345919629.db2.gz HMYHSCORRZLLNS-UHFFFAOYSA-N 0 3 226.305 0.033 40 0 BCABHN c1cc(NC2CC2)nc(N2CCNCC2)n1 ZINC000084490720 345924154 /nfs/dbraw/zinc/92/41/54/345924154.db2.gz YGXWSDNMTZHGBY-UHFFFAOYSA-N 0 3 219.292 0.461 40 0 BCABHN CN(C)CCNc1cc(N)nc(C2CC2)n1 ZINC000087908965 345939916 /nfs/dbraw/zinc/93/99/16/345939916.db2.gz BECDRKANDCXWIS-UHFFFAOYSA-N 0 3 221.308 0.910 40 0 BCABHN CNc1cc(N2CCOCC2)nc(C)n1 ZINC000087805764 345940792 /nfs/dbraw/zinc/94/07/92/345940792.db2.gz WRSSNSWQFRQGKO-UHFFFAOYSA-N 0 3 208.265 0.663 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H](N)[C@H]2OCC[C@H]21 ZINC000110915740 345943102 /nfs/dbraw/zinc/94/31/02/345943102.db2.gz NWSWQZIICCESNY-DJLDLDEBSA-N 0 3 228.292 0.722 40 0 BCABHN Cc1cccc([C@@H](C(N)=O)N2CCNCC2)c1 ZINC000037945602 179179585 /nfs/dbraw/zinc/17/95/85/179179585.db2.gz QGEICXJUIGXTNT-LBPRGKRZSA-N 0 3 233.315 0.427 40 0 BCABHN CCN(CC)CCN[C@H](C)C(=O)N1CCCC1 ZINC000019526408 347338782 /nfs/dbraw/zinc/33/87/82/347338782.db2.gz RVQWZZJOWZKKDS-GFCCVEGCSA-N 0 3 241.379 0.929 40 0 BCABHN Cc1nn(C)cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000002767816 180366297 /nfs/dbraw/zinc/36/62/97/180366297.db2.gz GTANTPGZBJMKMF-LLVKDONJSA-N 0 3 248.330 0.649 40 0 BCABHN CC(=O)N(C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177677 187872385 /nfs/dbraw/zinc/87/23/85/187872385.db2.gz ZVWGBCUAPMOKOQ-INTQDDNPSA-N 0 3 241.335 0.239 40 0 BCABHN C(c1nnc2n1CCNCC2)N1CCCCC1 ZINC000306143876 352983432 /nfs/dbraw/zinc/98/34/32/352983432.db2.gz YPCZJTYILRDOSX-UHFFFAOYSA-N 0 3 235.335 0.410 40 0 BCABHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019488949 188108120 /nfs/dbraw/zinc/10/81/20/188108120.db2.gz AJYJSQHSJGEWAP-VHSXEESVSA-N 0 3 214.309 0.655 40 0 BCABHN CC(C)[C@H](N)C(=O)NCc1cncs1 ZINC000079422170 188118633 /nfs/dbraw/zinc/11/86/33/188118633.db2.gz UIDMFJYDSUYZLI-QMMMGPOBSA-N 0 3 213.306 0.743 40 0 BCABHN COc1ccc(O[C@H]2COC[C@@H]2N)cc1 ZINC000218679803 188179736 /nfs/dbraw/zinc/17/97/36/188179736.db2.gz VXPXAUYNVIDYSV-QWRGUYRKSA-N 0 3 209.245 0.800 40 0 BCABHN O=S(=O)(c1cccnc1)N1CCCNCC1 ZINC000019487654 356582151 /nfs/dbraw/zinc/58/21/51/356582151.db2.gz SEGJZACFVLOYFL-UHFFFAOYSA-N 0 3 241.316 0.066 40 0 BCABHN CC(C)N1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000036189976 356707218 /nfs/dbraw/zinc/70/72/18/356707218.db2.gz LJPRXIHSKAHUJG-GFCCVEGCSA-N 0 3 239.363 0.681 40 0 BCABHN CCCn1ncc(N)c1C(=O)NCCN(C)C ZINC000685936019 538756670 /nfs/dbraw/zinc/75/66/70/538756670.db2.gz AGTJHFYTWWVLGJ-UHFFFAOYSA-N 0 3 239.323 0.167 40 0 BCABHN CCOC(=O)N1CC[C@](C)(O)[C@@H](N(C)C)C1 ZINC000685936034 538757607 /nfs/dbraw/zinc/75/76/07/538757607.db2.gz AUNAKCLQFUKSED-ONGXEEELSA-N 0 3 230.308 0.530 40 0 BCABHN NCC(=O)N1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000211235091 358597028 /nfs/dbraw/zinc/59/70/28/358597028.db2.gz IWOBTGPRUWWDMP-VXGBXAGGSA-N 0 3 234.299 0.180 40 0 BCABHN NCC(=O)NCc1nccc2ccccc21 ZINC000079422185 181354305 /nfs/dbraw/zinc/35/43/05/181354305.db2.gz ZOEIYZKEEJPQHB-UHFFFAOYSA-N 0 3 215.256 0.810 40 0 BCABHN NCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404066 181355785 /nfs/dbraw/zinc/35/57/85/181355785.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 0 3 247.342 0.726 40 0 BCABHN NCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035018166 181355851 /nfs/dbraw/zinc/35/58/51/181355851.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 0 3 233.315 0.336 40 0 BCABHN CSCC[C@H](N)C(=O)NCC(C)C ZINC000011754909 370750323 /nfs/dbraw/zinc/75/03/23/370750323.db2.gz RPOCUBZRQODHOG-QMMMGPOBSA-N 0 3 204.339 0.839 40 0 BCABHN CC[C@@H](C)[C@H](N)C(=O)N1CCOCC1 ZINC000011959285 370803313 /nfs/dbraw/zinc/80/33/13/370803313.db2.gz LDQFIFFNZXKTIU-BDAKNGLRSA-N 0 3 200.282 0.219 40 0 BCABHN CN1CCN[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000225673988 259540696 /nfs/dbraw/zinc/54/06/96/259540696.db2.gz FLDYGUQYUAEDOJ-KBPBESRZSA-N 0 3 231.343 0.774 40 0 BCABHN O=C(CN1CCCC1)N1CC[C@H](c2cc[nH]n2)C1 ZINC000072381873 181957122 /nfs/dbraw/zinc/95/71/22/181957122.db2.gz PBJZNROMXVEDAS-NSHDSACASA-N 0 3 248.330 0.821 40 0 BCABHN O=C(Nc1cccnc1)[C@H]1CN[C@@H]2CCO[C@@H]2C1 ZINC000306143935 182383697 /nfs/dbraw/zinc/38/36/97/182383697.db2.gz YRGITCIEUJTKHC-YUSALJHKSA-N 0 3 247.298 0.787 40 0 BCABHN N=C(CN1C[C@H](C(F)(F)F)[C@H](CO)C1)NO ZINC000409435305 383836610 /nfs/dbraw/zinc/83/66/10/383836610.db2.gz UBXXCZIKVSIJHY-WDSKDSINSA-N 0 3 241.213 0.045 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)CN)CC[C@H]1O ZINC000409435324 383834950 /nfs/dbraw/zinc/83/49/50/383834950.db2.gz UDKJUQMRIYUWHP-NXEZZACHSA-N 0 3 214.309 0.201 40 0 BCABHN CO[C@@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409435297 383835215 /nfs/dbraw/zinc/83/52/15/383835215.db2.gz UBXIKXOHJGHSGL-ZETCQYMHSA-N 0 3 226.198 0.125 40 0 BCABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1C ZINC000044564418 383918342 /nfs/dbraw/zinc/91/83/42/383918342.db2.gz UGJNENWJXWXPDL-QWRGUYRKSA-N 0 3 227.352 0.570 40 0 BCABHN OCCOCCOCCN1CCCCC1 ZINC000005375462 384112113 /nfs/dbraw/zinc/11/21/13/384112113.db2.gz QEJZJICVCRYYTA-UHFFFAOYSA-N 0 3 217.309 0.498 40 0 BCABHN COC[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079392069 384133994 /nfs/dbraw/zinc/13/39/94/384133994.db2.gz BJILOFZKZCZKDQ-MNOVXSKESA-N 0 3 228.336 0.855 40 0 BCABHN COC[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000079392042 384134507 /nfs/dbraw/zinc/13/45/07/384134507.db2.gz HLUQYDXJLLJZAV-IUCAKERBSA-N 0 3 200.282 0.361 40 0 BCABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCN(C)C1 ZINC000079407275 384135761 /nfs/dbraw/zinc/13/57/61/384135761.db2.gz LFPSXISSXRJOII-UWVGGRQHSA-N 0 3 213.325 0.275 40 0 BCABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCN(C)C1 ZINC000079407553 384135983 /nfs/dbraw/zinc/13/59/83/384135983.db2.gz VDXPIBBHZUJSPU-MNOVXSKESA-N 0 3 227.352 0.522 40 0 BCABHN CC(C)N(C[C@H]1CCCN1C)C(=O)CN ZINC000079406941 384136593 /nfs/dbraw/zinc/13/65/93/384136593.db2.gz SIGDXOSYLQFYOU-SNVBAGLBSA-N 0 3 213.325 0.276 40 0 BCABHN C[C@H](N)C(=O)N(C)CC(=O)c1ccco1 ZINC000079436287 384146707 /nfs/dbraw/zinc/14/67/07/384146707.db2.gz MCLAEACFSRVYPC-ZETCQYMHSA-N 0 3 210.233 0.268 40 0 BCABHN C[C@H](N)C(=O)N(Cc1cncs1)C1CC1 ZINC000079422168 384146768 /nfs/dbraw/zinc/14/67/68/384146768.db2.gz NELQWGTYQVHFIF-ZETCQYMHSA-N 0 3 225.317 0.981 40 0 BCABHN CC(C)N(Cc1cnccn1)C(=O)CN ZINC000079435460 384146817 /nfs/dbraw/zinc/14/68/17/384146817.db2.gz CQJKYXQOKJUBTL-UHFFFAOYSA-N 0 3 208.265 0.172 40 0 BCABHN CCN(C(C)=O)C1CCC(NC(=O)CN)CC1 ZINC000079417327 384139047 /nfs/dbraw/zinc/13/90/47/384139047.db2.gz OYFQFQLEDRBCEL-UHFFFAOYSA-N 0 3 241.335 0.241 40 0 BCABHN CC(=O)N(C(C)C)[C@@H]1CCN(CCO)C1 ZINC000079416484 384139268 /nfs/dbraw/zinc/13/92/68/384139268.db2.gz KFWPLYOPZVHTDR-LLVKDONJSA-N 0 3 214.309 0.310 40 0 BCABHN CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](N)C(C)C ZINC000079417827 384139636 /nfs/dbraw/zinc/13/96/36/384139636.db2.gz DLJRDSPAKPABOT-MNOVXSKESA-N 0 3 241.335 0.097 40 0 BCABHN CN(C)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000012416423 384320646 /nfs/dbraw/zinc/32/06/46/384320646.db2.gz XICBTWCTGMMXKS-AOOOYVTPSA-N 0 3 224.304 0.723 40 0 BCABHN Cc1ccc(CNC[C@@H]2Cn3nncc3CO2)o1 ZINC000096199123 384443568 /nfs/dbraw/zinc/44/35/68/384443568.db2.gz LLQGTDQYXPGPIB-GFCCVEGCSA-N 0 3 248.286 0.868 40 0 BCABHN COC(=O)c1ncc(N2CCNCC2)s1 ZINC000199823380 384561130 /nfs/dbraw/zinc/56/11/30/384561130.db2.gz NBVCLBRDSQMNOZ-UHFFFAOYSA-N 0 3 227.289 0.339 40 0 BCABHN NCc1ccnc(OCC2CCOCC2)n1 ZINC000098214007 384607242 /nfs/dbraw/zinc/60/72/42/384607242.db2.gz HAFKYGJLHOEHRV-UHFFFAOYSA-N 0 3 223.276 0.741 40 0 BCABHN Cc1noc(C)c1Cn1cc(CN)cn1 ZINC000082640081 384744807 /nfs/dbraw/zinc/74/48/07/384744807.db2.gz UKALZHVNAIWQDY-UHFFFAOYSA-N 0 3 206.249 0.995 40 0 BCABHN N[C@H](C[C@@H]([NH3+])C(=O)[O-])c1ccc(F)cc1 ZINC000259461609 384928571 /nfs/dbraw/zinc/92/85/71/384928571.db2.gz OQRQEHHYQFHKKC-RKDXNWHRSA-N 0 3 212.224 0.628 40 0 BCABHN N[C@H](C[C@@H]([NH3+])c1ccc(F)cc1)C(=O)[O-] ZINC000259461609 384928578 /nfs/dbraw/zinc/92/85/78/384928578.db2.gz OQRQEHHYQFHKKC-RKDXNWHRSA-N 0 3 212.224 0.628 40 0 BCABHN c1cnn(C[C@@H]2CNCc3nccn3C2)c1 ZINC000107488304 384974414 /nfs/dbraw/zinc/97/44/14/384974414.db2.gz KJAYCFITAZBBBD-SNVBAGLBSA-N 0 3 217.276 0.499 40 0 BCABHN CN[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000005510545 385037120 /nfs/dbraw/zinc/03/71/20/385037120.db2.gz ZIIIPKGHVZKYCQ-VIFPVBQESA-N 0 3 210.277 0.666 40 0 BCABHN Cc1cc(N2CCNCC2)ncc1[C@H](C)O ZINC000072223576 385113947 /nfs/dbraw/zinc/11/39/47/385113947.db2.gz XVUCKJJFUVHIBJ-JTQLQIEISA-N 0 3 221.304 0.853 40 0 BCABHN CC1(C)C(=O)[C@@]2(C(=O)NCCN)CC[C@@H]1C2 ZINC000085385550 385153905 /nfs/dbraw/zinc/15/39/05/385153905.db2.gz FAOLTWMUERMSPY-PRHODGIISA-N 0 3 224.304 0.457 40 0 BCABHN C[C@H](N)C(=O)N1CCc2c(ncn2C2CC2)C1 ZINC000096511401 385253103 /nfs/dbraw/zinc/25/31/03/385253103.db2.gz AXPLMHOEJDVGTM-QMMMGPOBSA-N 0 3 234.303 0.450 40 0 BCABHN O=C1CN=C(N2CCNCC2)N1c1ccccc1 ZINC000096517163 385254826 /nfs/dbraw/zinc/25/48/26/385254826.db2.gz DAKKEZQNOFOCFT-UHFFFAOYSA-N 0 3 244.298 0.294 40 0 BCABHN Cc1n[nH]c(C)c1CN1CCC[C@H](O)C1 ZINC000127977934 385317490 /nfs/dbraw/zinc/31/74/90/385317490.db2.gz OXZRTDZFPXKNBV-JTQLQIEISA-N 0 3 209.293 0.983 40 0 BCABHN CNCC(=O)N1CCOc2ccc(F)cc2C1 ZINC000335061128 385321880 /nfs/dbraw/zinc/32/18/80/385321880.db2.gz UGPJQBYXIMOJNE-UHFFFAOYSA-N 0 3 238.262 0.766 40 0 BCABHN COCCn1c(=O)c2c(nc1C1CC1)CCNC2 ZINC000096516488 385258308 /nfs/dbraw/zinc/25/83/08/385258308.db2.gz JARRSBMAWOMKFA-UHFFFAOYSA-N 0 3 249.314 0.413 40 0 BCABHN N[C@H]1CCCN(c2nc3ccccc3c(=O)[nH]2)C1 ZINC000096515903 385258569 /nfs/dbraw/zinc/25/85/69/385258569.db2.gz MQYHVEDRTOFSMS-VIFPVBQESA-N 0 3 244.298 0.851 40 0 BCABHN N[C@@H]1CCCN(c2nc3ccccc3c(=O)[nH]2)C1 ZINC000096515904 385258819 /nfs/dbraw/zinc/25/88/19/385258819.db2.gz MQYHVEDRTOFSMS-SECBINFHSA-N 0 3 244.298 0.851 40 0 BCABHN CO[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000151883820 385322088 /nfs/dbraw/zinc/32/20/88/385322088.db2.gz MSNHYYJCTHWAPX-WDEREUQCSA-N 0 3 226.320 0.766 40 0 BCABHN O=C([C@H]1C[C@H](F)CN1)N1CCSCC1 ZINC000188312210 385322237 /nfs/dbraw/zinc/32/22/37/385322237.db2.gz KLSNDIIVERIZLG-JGVFFNPUSA-N 0 3 218.297 0.262 40 0 BCABHN CCc1cc(=O)[n-]c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000096516702 385261951 /nfs/dbraw/zinc/26/19/51/385261951.db2.gz BZSXGHXMPRNUDA-MRVPVSSYSA-N 0 3 222.292 0.260 40 0 BCABHN CC[C@H]([C@H](N)C1CC1)S(=O)(=O)CC ZINC000096524999 385277212 /nfs/dbraw/zinc/27/72/12/385277212.db2.gz OYRZWLVQLNQWKZ-RKDXNWHRSA-N 0 3 205.323 0.937 40 0 BCABHN CC[C@H]([C@@H](N)C1CC1)S(=O)(=O)CC ZINC000096525006 385278196 /nfs/dbraw/zinc/27/81/96/385278196.db2.gz OYRZWLVQLNQWKZ-BDAKNGLRSA-N 0 3 205.323 0.937 40 0 BCABHN NCC(=O)N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409428985 385328649 /nfs/dbraw/zinc/32/86/49/385328649.db2.gz NKTLVYOBJFTLAC-SFYZADRCSA-N 0 3 218.247 0.839 40 0 BCABHN C[C@@H](N)C(=O)N1CCC(CCF)CC1 ZINC000409424619 385333820 /nfs/dbraw/zinc/33/38/20/385333820.db2.gz CLIQEGJROFAJNZ-MRVPVSSYSA-N 0 3 202.273 0.932 40 0 BCABHN c1cc2c(nccc2N2CCNCC2)[nH]1 ZINC000197913326 385544128 /nfs/dbraw/zinc/54/41/28/385544128.db2.gz VKMGTEGWWZWTTL-UHFFFAOYSA-N 0 3 202.261 0.973 40 0 BCABHN Cc1cnc(NCC[C@H]2CCOC23CNC3)nc1 ZINC000253600714 385685934 /nfs/dbraw/zinc/68/59/34/385685934.db2.gz WNMOSLCXPPXJAY-NSHDSACASA-N 0 3 248.330 0.966 40 0 BCABHN CNc1ncc(CNC[C@H]2CCCO2)cn1 ZINC000062717443 385715264 /nfs/dbraw/zinc/71/52/64/385715264.db2.gz YFHSHRNRLFLXCV-SNVBAGLBSA-N 0 3 222.292 0.787 40 0 BCABHN O=c1c2c(nc3n1CCCC3)CCNC2 ZINC000032236182 385981497 /nfs/dbraw/zinc/98/14/97/385981497.db2.gz GJHQXUKKTIIPOM-UHFFFAOYSA-N 0 3 205.261 0.225 40 0 BCABHN c1nc2c(c(N3CCNCC3)n1)CCCC2 ZINC000087308119 386105530 /nfs/dbraw/zinc/10/55/30/386105530.db2.gz IRWRNLRAVXMLON-UHFFFAOYSA-N 0 3 218.304 0.765 40 0 BCABHN COC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000081061157 386277675 /nfs/dbraw/zinc/27/76/75/386277675.db2.gz KRBDHLQKEPUKGX-MNOVXSKESA-N 0 3 226.320 0.623 40 0 BCABHN COc1c(CNCCC(C)(C)O)c(C)nn1C ZINC000274715423 386354701 /nfs/dbraw/zinc/35/47/01/386354701.db2.gz CDBZSZZUUCSPEL-UHFFFAOYSA-N 0 3 241.335 0.988 40 0 BCABHN Cn1nccc1CNCCN1CCCCC1 ZINC000049574844 386794090 /nfs/dbraw/zinc/79/40/90/386794090.db2.gz RIFYCUDJYQNNBR-UHFFFAOYSA-N 0 3 222.336 0.996 40 0 BCABHN [NH3+][C@@H]1CCCN(c2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000575415178 387023326 /nfs/dbraw/zinc/02/33/26/387023326.db2.gz RIMPJYANVFMTKP-SECBINFHSA-N 0 3 234.303 0.987 40 0 BCABHN CCCn1nccc1CNCCN(C)C ZINC000164824379 387853040 /nfs/dbraw/zinc/85/30/40/387853040.db2.gz XOPPMBUFGSHAAA-UHFFFAOYSA-N 0 3 210.325 0.944 40 0 BCABHN CN(C)CCNCc1ccnn1C(F)F ZINC000256054738 387862388 /nfs/dbraw/zinc/86/23/88/387862388.db2.gz XONXTIAVRCYFQU-UHFFFAOYSA-N 0 3 218.251 0.929 40 0 BCABHN NC[C@H]1C(=O)NCC[C@@H]1c1ccccc1 ZINC000217680570 388379359 /nfs/dbraw/zinc/37/93/59/388379359.db2.gz IUUJVHVYPKLSTN-GHMZBOCLSA-N 0 3 204.273 0.865 40 0 BCABHN Cc1cc(CN)c(N2CCNC(=O)C2)nc1C ZINC000217732223 388380107 /nfs/dbraw/zinc/38/01/07/388380107.db2.gz MLJOBJODOLCLSO-UHFFFAOYSA-N 0 3 234.303 0.093 40 0 BCABHN CC(C)c1ccc(CN)c(N2CCNC(=O)C2)n1 ZINC000217732131 388380413 /nfs/dbraw/zinc/38/04/13/388380413.db2.gz USFIKIMDYJVETE-UHFFFAOYSA-N 0 3 248.330 0.600 40 0 BCABHN Cc1ccc(S(=O)(=O)[C@H]2C[C@]2(N)CN)cc1 ZINC000217989377 388384836 /nfs/dbraw/zinc/38/48/36/388384836.db2.gz NUYWZGSLCCTQKJ-QWRGUYRKSA-N 0 3 240.328 0.197 40 0 BCABHN NCc1ccc2c(n1)C[C@@H]1CCO[C@@H]1O2 ZINC000242592425 388399394 /nfs/dbraw/zinc/39/93/94/388399394.db2.gz OUBNTMJOKADXAZ-WRWORJQWSA-N 0 3 206.245 0.838 40 0 BCABHN COC(=O)[C@@H]1CN(C)C[C@H]1c1cccnc1 ZINC000252517082 388653955 /nfs/dbraw/zinc/65/39/55/388653955.db2.gz ZJAMBIPSBQWOSV-WDEREUQCSA-N 0 3 220.272 0.900 40 0 BCABHN COC(=O)[C@H]1CN(C)C[C@H]1c1cccnc1 ZINC000252517081 388654323 /nfs/dbraw/zinc/65/43/23/388654323.db2.gz ZJAMBIPSBQWOSV-QWRGUYRKSA-N 0 3 220.272 0.900 40 0 BCABHN Nc1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000062717363 388655839 /nfs/dbraw/zinc/65/58/39/388655839.db2.gz HSTGKEYBRLMHSK-VIFPVBQESA-N 0 3 208.265 0.327 40 0 BCABHN C[C@@H](O)CNCc1cnc(N2CCCC2)nc1 ZINC000062717830 388656120 /nfs/dbraw/zinc/65/61/20/388656120.db2.gz WOYCDVPNEWYPAM-SNVBAGLBSA-N 0 3 236.319 0.547 40 0 BCABHN CS(=O)(=O)c1c[n-]nc1[C@H]1CCC[NH2+]C1 ZINC000019685970 388745217 /nfs/dbraw/zinc/74/52/17/388745217.db2.gz ALXAFYVCKSKGSF-ZETCQYMHSA-N 0 3 229.305 0.280 40 0 BCABHN COc1cc(N2CCN[C@H](C)C2)ncn1 ZINC000079439102 388695882 /nfs/dbraw/zinc/69/58/82/388695882.db2.gz ADDJSBJBBAUMIQ-MRVPVSSYSA-N 0 3 208.265 0.283 40 0 BCABHN C[C@@H]1CN(c2cc(NC3CC3)ncn2)CCN1 ZINC000079439498 388695990 /nfs/dbraw/zinc/69/59/90/388695990.db2.gz PSADSZVRLJWYRX-SECBINFHSA-N 0 3 233.319 0.849 40 0 BCABHN COC(=O)C1CCN(c2ccnc(CN)c2)CC1 ZINC000072233902 132303390 /nfs/dbraw/zinc/30/33/90/132303390.db2.gz SNMXFYAPYDUNHK-UHFFFAOYSA-N 0 3 249.314 0.930 40 0 BCABHN C[C@@H](N)C(=O)N1CCN(c2ccccn2)CC1 ZINC000019517750 132325993 /nfs/dbraw/zinc/32/59/93/132325993.db2.gz UZHXBSXJWIVPEW-SNVBAGLBSA-N 0 3 234.303 0.077 40 0 BCABHN CCNCc1cnc(N2CCOCC2)nc1 ZINC000048326687 132355289 /nfs/dbraw/zinc/35/52/89/132355289.db2.gz JVOASTBTAPXXIA-UHFFFAOYSA-N 0 3 222.292 0.423 40 0 BCABHN CNc1ncc(CNCCCOC)cn1 ZINC000062717485 398055215 /nfs/dbraw/zinc/05/52/15/398055215.db2.gz XVBSAPGEJOVOLU-UHFFFAOYSA-N 0 3 210.281 0.644 40 0 BCABHN CC(C)N1C[C@@H]2[C@H](C1)OCC(=O)N2C(C)C ZINC000067897202 167031830 /nfs/dbraw/zinc/03/18/30/167031830.db2.gz PXFBBACRARGBDY-MNOVXSKESA-N 0 3 226.320 0.715 40 0 biogenic,in-vitro BCABHN C[C@@H](NCCN(C)C)C(=O)N1CCC(C)CC1 ZINC000022586212 168174714 /nfs/dbraw/zinc/17/47/14/168174714.db2.gz CYBAYDGJECIYNY-GFCCVEGCSA-N 0 3 241.379 0.785 40 0 BCABHN C[C@H](NCCN(C)C)C(=O)N1CCC(C)CC1 ZINC000022586216 168175983 /nfs/dbraw/zinc/17/59/83/168175983.db2.gz CYBAYDGJECIYNY-LBPRGKRZSA-N 0 3 241.379 0.785 40 0 BCABHN CC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188198511 168176194 /nfs/dbraw/zinc/17/61/94/168176194.db2.gz UOEIHBGFHDIONA-VHSXEESVSA-N 0 3 214.284 0.945 40 0 BCABHN CCNCc1cccc(S(N)(=O)=O)c1 ZINC000037485386 170128616 /nfs/dbraw/zinc/12/86/16/170128616.db2.gz XXHSVEZXRXXNAN-UHFFFAOYSA-N 0 3 214.290 0.444 40 0 BCABHN CCOCCCNC(=O)C1CCN(C)CC1 ZINC000058517922 170376606 /nfs/dbraw/zinc/37/66/06/170376606.db2.gz NXCPSTWCKPMIRI-UHFFFAOYSA-N 0 3 228.336 0.871 40 0 BCABHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C)CC1 ZINC000019504599 171369589 /nfs/dbraw/zinc/36/95/89/171369589.db2.gz IQHLYENUVUMFMI-VHSXEESVSA-N 0 3 213.325 0.134 40 0 BCABHN CCn1ncc(CNCCCCO)c1F ZINC000256050976 172255400 /nfs/dbraw/zinc/25/54/00/172255400.db2.gz HGFWHYRPJNERGZ-UHFFFAOYSA-N 0 3 215.272 0.904 40 0 BCABHN CN(C)C(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C ZINC000257215513 172384825 /nfs/dbraw/zinc/38/48/25/172384825.db2.gz CQMOMUAMMASFQH-AGIUHOORSA-N 0 3 247.342 0.847 40 0 BCABHN CN1CCC(n2[n-]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000110752029 173000988 /nfs/dbraw/zinc/00/09/88/173000988.db2.gz VIRMVFXTOBJXAP-UHFFFAOYSA-N 0 3 236.319 0.501 40 0 BCABHN CN1CC[C@](O)(c2ccccc2)[C@H](O)C1 ZINC000005496262 173164852 /nfs/dbraw/zinc/16/48/52/173164852.db2.gz HAATVDDNXGDFHD-NEPJUHHUSA-N 0 3 207.273 0.571 40 0 BCABHN CN1CC[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247721660 173165111 /nfs/dbraw/zinc/16/51/11/173165111.db2.gz BHDHXAFKJSXGOP-YPMHNXCESA-N 0 3 238.331 0.720 40 0 BCABHN CN1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253125 173199726 /nfs/dbraw/zinc/19/97/26/173199726.db2.gz MSOQCBSJSPZYOH-OUAUKWLOSA-N 0 3 224.304 0.374 40 0 BCABHN CNC(=O)[C@@H]1CNCCN1CCc1ccccc1 ZINC000072343386 173300518 /nfs/dbraw/zinc/30/05/18/173300518.db2.gz PXAGEILDOJMKOL-ZDUSSCGKSA-N 0 3 247.342 0.249 40 0 BCABHN CNC(=O)[C@H]1CNCCN1CCc1ccccc1 ZINC000072343387 173308330 /nfs/dbraw/zinc/30/83/30/173308330.db2.gz PXAGEILDOJMKOL-CYBMUJFWSA-N 0 3 247.342 0.249 40 0 BCABHN CNCC(=O)Nc1cc(OC)ccc1OC ZINC000019515186 173333716 /nfs/dbraw/zinc/33/37/16/173333716.db2.gz VGOPMRRLNNHULT-UHFFFAOYSA-N 0 3 224.260 0.862 40 0 BCABHN COCCNC(=O)C[C@H](N)c1ccccc1 ZINC000019517357 174321609 /nfs/dbraw/zinc/32/16/09/174321609.db2.gz IZKYGEFQDRSSST-NSHDSACASA-N 0 3 222.288 0.839 40 0 BCABHN COCCNCC(=O)N1CCCCCC1 ZINC000004969265 174330724 /nfs/dbraw/zinc/33/07/24/174330724.db2.gz LDRHFWUJOBTSJX-UHFFFAOYSA-N 0 3 214.309 0.625 40 0 BCABHN COc1ccc([C@H]2CNCCN2)cc1OC ZINC000038531980 175195944 /nfs/dbraw/zinc/19/59/44/175195944.db2.gz XMTDOVQYBQWJAL-SNVBAGLBSA-N 0 3 222.288 0.938 40 0 BCABHN COc1ccccc1C(=O)NCCN(C)C ZINC000005509027 175318335 /nfs/dbraw/zinc/31/83/35/175318335.db2.gz VRCCRJJEDDXYAR-UHFFFAOYSA-N 0 3 222.288 0.987 40 0 BCABHN COc1ccccc1[C@H]1C[C@H](N)C(=O)N1 ZINC000218688263 175355451 /nfs/dbraw/zinc/35/54/51/175355451.db2.gz MZEXRQYTWQXKJH-DTWKUNHWSA-N 0 3 206.245 0.584 40 0 BCABHN Cc1c(CNCCN2CCOCC2)cnn1C ZINC000093649228 177590995 /nfs/dbraw/zinc/59/09/95/177590995.db2.gz IEVXYVNHOHNEIM-UHFFFAOYSA-N 0 3 238.335 0.150 40 0 BCABHN Cn1ncc(CNCCO)c1C(F)(F)F ZINC000256054553 487556111 /nfs/dbraw/zinc/55/61/11/487556111.db2.gz WUAABJKPOPXMLY-UHFFFAOYSA-N 0 3 223.198 0.521 40 0 BCABHN NC1CN(C(=O)Cc2noc3ccccc32)C1 ZINC000087584028 487471930 /nfs/dbraw/zinc/47/19/30/487471930.db2.gz STWPTHXQSJBPLP-UHFFFAOYSA-N 0 3 231.255 0.540 40 0 BCABHN COc1cc(OCC(=N)NO)cc2c1OCO2 ZINC000409443961 490247463 /nfs/dbraw/zinc/24/74/63/490247463.db2.gz XMYBZKXHLHSNLW-UHFFFAOYSA-N 0 3 240.215 0.759 40 0 BCABHN CO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000234812647 518111710 /nfs/dbraw/zinc/11/17/10/518111710.db2.gz FPZQKYUOJPOXNB-ZJUUUORDSA-N 0 3 212.293 0.376 40 0 BCABHN Cc1cc(CNC[C@@H]2CCCO2)n(C)n1 ZINC000041050859 178022144 /nfs/dbraw/zinc/02/21/44/178022144.db2.gz ZVDIJBIQYCWUAI-NSHDSACASA-N 0 3 209.293 0.997 40 0 BCABHN Cc1cc(CNCCN2CCOCC2)n(C)n1 ZINC000035807676 178021513 /nfs/dbraw/zinc/02/15/13/178021513.db2.gz PHXXDOVTYQJEND-UHFFFAOYSA-N 0 3 238.335 0.150 40 0 BCABHN Cc1cc2ncc(C(=O)[C@@H]3CCCN3)c(N)n2n1 ZINC000257266372 178303991 /nfs/dbraw/zinc/30/39/91/178303991.db2.gz MCRVTHJZMVZNSI-VIFPVBQESA-N 0 3 245.286 0.555 40 0 BCABHN O=c1[n-]c(=O)c(C[NH2+]C2CCCCC2)c[nH]1 ZINC000001722933 342711258 /nfs/dbraw/zinc/71/12/58/342711258.db2.gz YQEHJVVYEFUKGQ-UHFFFAOYSA-N 0 3 223.276 0.486 40 0 BCABHN COc1cccc2c1N(C)C[C@H](N)[C@@H]2O ZINC000084772726 398327429 /nfs/dbraw/zinc/32/74/29/398327429.db2.gz WUOISILEUNPSRB-GZMMTYOYSA-N 0 3 208.261 0.506 40 0 BCABHN COC(=O)C[C@@H]1CN[C@@H]2CCCC[C@@H]2NC1=O ZINC000022126933 343040760 /nfs/dbraw/zinc/04/07/60/343040760.db2.gz LFPMYLXHLRBOCF-BBBLOLIVSA-N 0 3 240.303 0.196 40 0 BCABHN COC(=O)[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1O ZINC000260858472 343131608 /nfs/dbraw/zinc/13/16/08/343131608.db2.gz WYULCMDCPPGORM-HBNTYKKESA-N 0 3 243.303 0.021 40 0 BCABHN Cc1c(CNC[C@H]2CCCO2)cnn1C ZINC000037927505 343361092 /nfs/dbraw/zinc/36/10/92/343361092.db2.gz JKGAERXZZFZPSG-LLVKDONJSA-N 0 3 209.293 0.997 40 0 BCABHN CN(C)CC(CN(C)C)c1cnccn1 ZINC000204919603 343588808 /nfs/dbraw/zinc/58/88/08/343588808.db2.gz KLEATABEPNMWLX-UHFFFAOYSA-N 0 3 208.309 0.683 40 0 BCABHN Clc1nsnc1N1CCNCC1 ZINC000034578160 343780224 /nfs/dbraw/zinc/78/02/24/343780224.db2.gz AAPOPBBZBHVRME-UHFFFAOYSA-N 0 3 204.686 0.601 40 0 BCABHN CC(C)c1noc(Cn2cc(CN)nn2)n1 ZINC000050224921 343782512 /nfs/dbraw/zinc/78/25/12/343782512.db2.gz UCCFDBFABXLYTI-UHFFFAOYSA-N 0 3 222.252 0.292 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409428155 343802575 /nfs/dbraw/zinc/80/25/75/343802575.db2.gz FZVNFXVZGPERIJ-POYBYMJQSA-N 0 3 240.225 0.107 40 0 BCABHN CNCC(=O)N1CCC(C(F)F)CC1 ZINC000307880803 343790223 /nfs/dbraw/zinc/79/02/23/343790223.db2.gz DTIZCXMOUWOCLP-UHFFFAOYSA-N 0 3 206.236 0.710 40 0 BCABHN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@H]1OC ZINC000235011166 343794859 /nfs/dbraw/zinc/79/48/59/343794859.db2.gz IIDPJXKYMZFKFB-GARJFASQSA-N 0 3 242.319 0.001 40 0 BCABHN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@H]1OC ZINC000235015668 343795035 /nfs/dbraw/zinc/79/50/35/343795035.db2.gz IIDPJXKYMZFKFB-MXWKQRLJSA-N 0 3 242.319 0.001 40 0 BCABHN CC(C)c1nn(C(C)C)c(=O)n1C1CNC1 ZINC000409426752 343798868 /nfs/dbraw/zinc/79/88/68/343798868.db2.gz RYTQZCABLCNNTK-UHFFFAOYSA-N 0 3 224.308 0.893 40 0 BCABHN CNCC(=O)N1C[C@@H](COC)C2(CCC2)C1 ZINC000409426824 343799080 /nfs/dbraw/zinc/79/90/80/343799080.db2.gz DBCQHMJPRXWNDV-JTQLQIEISA-N 0 3 226.320 0.481 40 0 BCABHN COC[C@H]1CCCN1C(=O)[C@H]1CCCCN1 ZINC000409427104 343800290 /nfs/dbraw/zinc/80/02/90/343800290.db2.gz JOBKXXDPHKYNNK-GHMZBOCLSA-N 0 3 226.320 0.766 40 0 BCABHN O=C1N(CC(F)F)CCO[C@@]12CCCNC2 ZINC000409427534 343801247 /nfs/dbraw/zinc/80/12/47/343801247.db2.gz WBQVRUFVITVRRK-SNVBAGLBSA-N 0 3 234.246 0.233 40 0 BCABHN CCN1CCC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409427748 343801562 /nfs/dbraw/zinc/80/15/62/343801562.db2.gz XPLVGKPQMULJQF-JTQLQIEISA-N 0 3 222.292 0.823 40 0 BCABHN Cc1nc2cc(C(=O)N3CC(N)C3)ccc2[nH]1 ZINC000409422170 343812684 /nfs/dbraw/zinc/81/26/84/343812684.db2.gz BPTWCQWGPQJYHS-UHFFFAOYSA-N 0 3 230.271 0.654 40 0 BCABHN CCCN1CCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409423242 343814765 /nfs/dbraw/zinc/81/47/65/343814765.db2.gz AYRFXTRIJLWJMR-LLVKDONJSA-N 0 3 222.292 0.965 40 0 BCABHN C[C@@H](O)[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000409423747 343815745 /nfs/dbraw/zinc/81/57/45/343815745.db2.gz AITSCCLOMFYXOU-DJLDLDEBSA-N 0 3 200.282 0.096 40 0 BCABHN COC(=O)[C@H]1CN(CC2CC2)CC[C@@H]1O ZINC000409423753 343815917 /nfs/dbraw/zinc/81/59/17/343815917.db2.gz USQIXVGBMPVIKR-UWVGGRQHSA-N 0 3 213.277 0.252 40 0 BCABHN O=c1n(CC2CC2)nc(C2CC2)n1C1CNC1 ZINC000409423833 343816355 /nfs/dbraw/zinc/81/63/55/343816355.db2.gz DKAGQAVBVUAIID-UHFFFAOYSA-N 0 3 234.303 0.477 40 0 BCABHN C[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1 ZINC000409424113 343816755 /nfs/dbraw/zinc/81/67/55/343816755.db2.gz BHFWCXZRWIHDTL-SDDRHHMPSA-N 0 3 240.347 0.890 40 0 BCABHN NC1CN(C(=O)CSc2ccncc2)C1 ZINC000409424064 343816853 /nfs/dbraw/zinc/81/68/53/343816853.db2.gz SUCBKZWMGBXJPR-UHFFFAOYSA-N 0 3 223.301 0.343 40 0 BCABHN C[C@H](O)[C@H]1CCCCN1C(=O)[C@H]1CCCCN1 ZINC000409424111 343816873 /nfs/dbraw/zinc/81/68/73/343816873.db2.gz BHFWCXZRWIHDTL-QJPTWQEYSA-N 0 3 240.347 0.890 40 0 BCABHN CCOC[C@H]1CN(CC(=N)NO)CC1(C)C ZINC000409425295 343818691 /nfs/dbraw/zinc/81/86/91/343818691.db2.gz AGKNJRONNDJCQX-SECBINFHSA-N 0 3 229.324 0.937 40 0 BCABHN NCC(=O)N(C1CC1)[C@H]1CCSC1 ZINC000409425340 343819397 /nfs/dbraw/zinc/81/93/97/343819397.db2.gz AJBHOOZBYCHSGN-QMMMGPOBSA-N 0 3 200.307 0.442 40 0 BCABHN c1cc(N2CCC2)nc(N2CCNCC2)n1 ZINC000409426247 343822104 /nfs/dbraw/zinc/82/21/04/343822104.db2.gz DVOSSPTZZAAELE-UHFFFAOYSA-N 0 3 219.292 0.096 40 0 BCABHN COC[C@]12CCC[C@@H]1CN(C(=O)[C@@H](C)N)C2 ZINC000409431726 343822312 /nfs/dbraw/zinc/82/23/12/343822312.db2.gz KDNBDPJOARRNKF-CKYFFXLPSA-N 0 3 226.320 0.609 40 0 BCABHN COC[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N)C2 ZINC000409431729 343822356 /nfs/dbraw/zinc/82/23/56/343822356.db2.gz KDNBDPJOARRNKF-JFGNBEQYSA-N 0 3 226.320 0.609 40 0 BCABHN CNCC(=O)N1C[C@H](CO)C2(CCCC2)C1 ZINC000409433088 343826627 /nfs/dbraw/zinc/82/66/27/343826627.db2.gz MIGMFFLYPRPIKA-SNVBAGLBSA-N 0 3 226.320 0.217 40 0 BCABHN CCOC[C@H]1CN(C(=O)CNC)CC12CCC2 ZINC000409428601 343804159 /nfs/dbraw/zinc/80/41/59/343804159.db2.gz GTPRVKKUBVUPIK-LLVKDONJSA-N 0 3 240.347 0.871 40 0 BCABHN CNCC(=O)N1CCc2ccc(CO)cc21 ZINC000409428648 343804196 /nfs/dbraw/zinc/80/41/96/343804196.db2.gz GVVXKKFYGFJGSJ-UHFFFAOYSA-N 0 3 220.272 0.287 40 0 BCABHN CNCC(=O)N1CCC[C@H](c2ccn(C)n2)C1 ZINC000409428749 343804220 /nfs/dbraw/zinc/80/42/20/343804220.db2.gz MYYFHPYWBUSGIQ-JTQLQIEISA-N 0 3 236.319 0.346 40 0 BCABHN N=C(CN1CCOC[C@H]2CCC[C@@H]21)NO ZINC000409429733 343806589 /nfs/dbraw/zinc/80/65/89/343806589.db2.gz SCQGGXYGOIVDQR-BDAKNGLRSA-N 0 3 213.281 0.443 40 0 BCABHN N=C(CN1CCOC[C@@H]2CCC[C@H]21)NO ZINC000409429734 343806657 /nfs/dbraw/zinc/80/66/57/343806657.db2.gz SCQGGXYGOIVDQR-DTWKUNHWSA-N 0 3 213.281 0.443 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 ZINC000409432752 343827384 /nfs/dbraw/zinc/82/73/84/343827384.db2.gz WHNSENSESGLLOC-VHSXEESVSA-N 0 3 236.319 0.473 40 0 BCABHN COCC1(C)CCN(CC(=N)NO)CC1 ZINC000409430030 343807234 /nfs/dbraw/zinc/80/72/34/343807234.db2.gz IDVNZNXEBJMSOW-UHFFFAOYSA-N 0 3 215.297 0.691 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC(F)(F)C[C@H]1CO ZINC000409430418 343808122 /nfs/dbraw/zinc/80/81/22/343808122.db2.gz IOEVMJOEOPOKKV-IUCAKERBSA-N 0 3 248.273 0.357 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)C1CCOCC1 ZINC000409430426 343808171 /nfs/dbraw/zinc/80/81/71/343808171.db2.gz IOFHKCJLQRYDNA-QMMMGPOBSA-N 0 3 212.293 0.504 40 0 BCABHN COc1ccc2c(c1)[C@H](O)CC1(CNC1)O2 ZINC000409430578 343808629 /nfs/dbraw/zinc/80/86/29/343808629.db2.gz HCEZFABKQVBJMN-SNVBAGLBSA-N 0 3 221.256 0.853 40 0 BCABHN C[C@H](N)C(=O)N1CCc2ccc(CO)cc21 ZINC000409430690 343808652 /nfs/dbraw/zinc/80/86/52/343808652.db2.gz IUJKIFZAYHCBJQ-QMMMGPOBSA-N 0 3 220.272 0.415 40 0 BCABHN C[C@H](N)C(=O)N1CC[C@]2(C1)CCCCO2 ZINC000409430781 343809184 /nfs/dbraw/zinc/80/91/84/343809184.db2.gz RERYHXKSLBHTJE-ONGXEEELSA-N 0 3 212.293 0.505 40 0 BCABHN COC[C@]12CN(C(=O)CN)C[C@@H]1CCCC2 ZINC000409431164 343809743 /nfs/dbraw/zinc/80/97/43/343809743.db2.gz JNYRAWPLYWUZDL-JQWIXIFHSA-N 0 3 226.320 0.610 40 0 BCABHN C[C@@H](N)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 ZINC000409432748 343827515 /nfs/dbraw/zinc/82/75/15/343827515.db2.gz WHNSENSESGLLOC-NXEZZACHSA-N 0 3 236.319 0.473 40 0 BCABHN Oc1ccc2c(c1)OC1(CNC1)C[C@@H]2O ZINC000409433550 343829181 /nfs/dbraw/zinc/82/91/81/343829181.db2.gz SKRSFPLEYBLZMB-VIFPVBQESA-N 0 3 207.229 0.550 40 0 BCABHN COC[C@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409433664 343829631 /nfs/dbraw/zinc/82/96/31/343829631.db2.gz NBUXCPSLLUGLCL-QMMMGPOBSA-N 0 3 240.225 0.373 40 0 BCABHN CCO[C@@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409433618 343829828 /nfs/dbraw/zinc/82/98/28/343829828.db2.gz MZHWFJUKBJKFJL-QMMMGPOBSA-N 0 3 240.225 0.515 40 0 BCABHN C[C@H](N)C(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000409434094 343831065 /nfs/dbraw/zinc/83/10/65/343831065.db2.gz ZXVGYHOYOFINPG-CMPLNLGQSA-N 0 3 226.320 0.895 40 0 BCABHN COC[C@@H]1CN(C(=O)CN)C[C@H]1C(F)(F)F ZINC000409435188 343832577 /nfs/dbraw/zinc/83/25/77/343832577.db2.gz STXGONHFXQEJQZ-NKWVEPMBSA-N 0 3 240.225 0.228 40 0 BCABHN COC[C@H]1CN(C(=O)CN)C[C@H]1C(F)(F)F ZINC000409435189 343832595 /nfs/dbraw/zinc/83/25/95/343832595.db2.gz STXGONHFXQEJQZ-RNFRBKRXSA-N 0 3 240.225 0.228 40 0 BCABHN COC[C@@]12CCC[C@@H]1CN(C(=O)CN)C2 ZINC000409435356 343833180 /nfs/dbraw/zinc/83/31/80/343833180.db2.gz UGIHQTGOYGXKFX-KOLCDFICSA-N 0 3 212.293 0.220 40 0 BCABHN CCOCC1(C)CCN(C(=O)[C@@H](C)N)CC1 ZINC000409435434 343833294 /nfs/dbraw/zinc/83/32/94/343833294.db2.gz UQLZPHFGVBTOAS-SNVBAGLBSA-N 0 3 228.336 0.999 40 0 BCABHN CNCC(=O)N1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409434771 343834860 /nfs/dbraw/zinc/83/48/60/343834860.db2.gz QNDDSRALKVXTMF-MNOVXSKESA-N 0 3 226.320 0.215 40 0 BCABHN COC[C@@]12CCC[C@@H]1CN(CC(=N)NO)C2 ZINC000409436101 343837318 /nfs/dbraw/zinc/83/73/18/343837318.db2.gz YDMDOMSCZVRWKO-KOLCDFICSA-N 0 3 227.308 0.691 40 0 BCABHN Cc1cc(-c2cc(CN)ncn2)n(C)n1 ZINC000409436524 343838134 /nfs/dbraw/zinc/83/81/34/343838134.db2.gz FDSMEGYPSJUUIV-UHFFFAOYSA-N 0 3 203.249 0.644 40 0 BCABHN N=C(CN1CCc2cc(CO)ccc21)NO ZINC000409435889 343840736 /nfs/dbraw/zinc/84/07/36/343840736.db2.gz XCUDDTBTOIXGNY-UHFFFAOYSA-N 0 3 221.260 0.497 40 0 BCABHN Cn1ccn2nc(C3CC3)c(C(=N)N)c12 ZINC000409437713 343848332 /nfs/dbraw/zinc/84/83/32/343848332.db2.gz ILFLBZKVQQFMSZ-UHFFFAOYSA-N 0 3 203.249 0.834 40 0 BCABHN CCn1nc(-c2cnccn2)cc1CN ZINC000409443029 343865613 /nfs/dbraw/zinc/86/56/13/343865613.db2.gz FRZFKZKSFUSYDD-UHFFFAOYSA-N 0 3 203.249 0.819 40 0 BCABHN NC1CN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000083635130 345919282 /nfs/dbraw/zinc/91/92/82/345919282.db2.gz GMCJESCGXRKTFG-UHFFFAOYSA-N 0 3 216.244 0.346 40 0 BCABHN Cc1ccccc1NC(=O)CN1CCNCC1 ZINC000023291839 179299480 /nfs/dbraw/zinc/29/94/80/179299480.db2.gz IFZPJHRUHQOPRV-UHFFFAOYSA-N 0 3 233.315 0.839 40 0 BCABHN CSc1ncc(CNCCCO)cn1 ZINC000062717261 259406935 /nfs/dbraw/zinc/40/69/35/259406935.db2.gz PNLMTIXZLKSTAM-UHFFFAOYSA-N 0 3 213.306 0.671 40 0 BCABHN CN1CC[C@H](O)[C@@H](Cc2ccccn2)C1 ZINC000169975251 490260865 /nfs/dbraw/zinc/26/08/65/490260865.db2.gz OGGWQOJFGKKYML-JQWIXIFHSA-N 0 3 206.289 0.937 40 0 BCABHN Cc1nc([C@H]2CCCCN2C(=O)CN)no1 ZINC000072383395 180054641 /nfs/dbraw/zinc/05/46/41/180054641.db2.gz GKLBVAUJFJCPIC-MRVPVSSYSA-N 0 3 224.264 0.390 40 0 BCABHN CO[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000151889021 191067255 /nfs/dbraw/zinc/06/72/55/191067255.db2.gz MSNHYYJCTHWAPX-MNOVXSKESA-N 0 3 226.320 0.766 40 0 BCABHN Cc1nn(C)c(F)c1CNCCN(C)C ZINC000256051401 180350345 /nfs/dbraw/zinc/35/03/45/180350345.db2.gz JAMPPWVIHCMCLV-UHFFFAOYSA-N 0 3 214.288 0.519 40 0 BCABHN Cc1nn(C)c(C)c1CN1CCC[C@H](O)C1 ZINC000299613124 180337529 /nfs/dbraw/zinc/33/75/29/180337529.db2.gz VGRLLPXILNRIMD-NSHDSACASA-N 0 3 223.320 0.994 40 0 BCABHN CCO[C@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000409433616 350472090 /nfs/dbraw/zinc/47/20/90/350472090.db2.gz MZHWFJUKBJKFJL-MRVPVSSYSA-N 0 3 240.225 0.515 40 0 BCABHN Cn1ccc2ccc(C(=O)N3CC(N)C3)cc21 ZINC000409424730 350475579 /nfs/dbraw/zinc/47/55/79/350475579.db2.gz XVGADMFZSSDMLV-UHFFFAOYSA-N 0 3 229.283 0.961 40 0 BCABHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN ZINC000019434982 180393450 /nfs/dbraw/zinc/39/34/50/180393450.db2.gz YYCYXXPDXWUTBB-VIFPVBQESA-N 0 3 243.332 0.318 40 0 BCABHN CC(C)[C@H]([NH3+])c1nnc(-c2cnccn2)[n-]1 ZINC000095534730 188146305 /nfs/dbraw/zinc/14/63/05/188146305.db2.gz UZPNCLWBCANIFG-QMMMGPOBSA-N 0 3 218.264 0.918 40 0 BCABHN Cc1cnnn1C[C@@H]1CC[C@@H]2NCCO[C@H]12 ZINC000096250352 188148252 /nfs/dbraw/zinc/14/82/52/188148252.db2.gz ZRADXOJMYDWCPT-GARJFASQSA-N 0 3 222.292 0.354 40 0 BCABHN NC(=O)[C@H](Cc1ccccc1)NC1CC1 ZINC000037870445 181277423 /nfs/dbraw/zinc/27/74/23/181277423.db2.gz YFFIUHBJXMUKSX-NSHDSACASA-N 0 3 204.273 0.835 40 0 BCABHN Cc1ccc(CS(=O)(=O)CCN)cc1 ZINC000026509224 363538656 /nfs/dbraw/zinc/53/86/56/363538656.db2.gz NQWXGSXHMNGEPC-UHFFFAOYSA-N 0 3 213.302 0.869 40 0 BCABHN CCOC[C@@H]1CCCCN1C(=O)CN ZINC000083904233 359805979 /nfs/dbraw/zinc/80/59/79/359805979.db2.gz OALQCJYLSCKUKA-VIFPVBQESA-N 0 3 200.282 0.363 40 0 BCABHN CCOC[C@H]1CCCCN1C(=O)CN ZINC000083904234 359806185 /nfs/dbraw/zinc/80/61/85/359806185.db2.gz OALQCJYLSCKUKA-SECBINFHSA-N 0 3 200.282 0.363 40 0 BCABHN NCC(=O)N(Cc1nccnc1Cl)C1CC1 ZINC000079435548 181348147 /nfs/dbraw/zinc/34/81/47/181348147.db2.gz RADJODAMOACXHP-UHFFFAOYSA-N 0 3 240.694 0.580 40 0 BCABHN NCC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000096511381 181350146 /nfs/dbraw/zinc/35/01/46/181350146.db2.gz CRTOWZZNPOYLNK-UHFFFAOYSA-N 0 3 248.208 0.272 40 0 BCABHN NCC(=O)NCc1cnc(Cl)s1 ZINC000079422085 181353002 /nfs/dbraw/zinc/35/30/02/181353002.db2.gz UDZZJSPQRZRCMY-UHFFFAOYSA-N 0 3 205.670 0.371 40 0 BCABHN C[C@]1(c2cc[nH]n2)CCCN(CCO)C1 ZINC000205701831 368359416 /nfs/dbraw/zinc/35/94/16/368359416.db2.gz PZEYXRPYSFHTNH-NSHDSACASA-N 0 3 209.293 0.756 40 0 BCABHN NC[C@H]1OCCc2cn(CC3CC3)nc21 ZINC000306140098 181467822 /nfs/dbraw/zinc/46/78/22/181467822.db2.gz UJXVKRCRWMWRQB-SNVBAGLBSA-N 0 3 207.277 0.866 40 0 BCABHN COC[C@H]1C[C@H](C)[C@@](CN)(S(C)(=O)=O)C1 ZINC000110770686 369978010 /nfs/dbraw/zinc/97/80/10/369978010.db2.gz CAVMLOLVHFUYAP-LPEHRKFASA-N 0 3 235.349 0.421 40 0 BCABHN CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019483709 371152591 /nfs/dbraw/zinc/15/25/91/371152591.db2.gz NIKPPDXTUAZYJI-KXUCPTDWSA-N 0 3 214.309 0.655 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@@H](CO)C[C@H]1C ZINC000252515229 259548161 /nfs/dbraw/zinc/54/81/61/259548161.db2.gz HXNBCANTWUXVAR-UTLUCORTSA-N 0 3 235.349 0.157 40 0 BCABHN O=C(NC1CCC1)[C@H]1C[C@H]2NCCO[C@@H]2C1 ZINC000096251680 182107015 /nfs/dbraw/zinc/10/70/15/182107015.db2.gz VSQXNUULFVEQNQ-JMJZKYOTSA-N 0 3 224.304 0.422 40 0 BCABHN CCN(CC1CCN(C(=O)CN)CC1)C(C)=O ZINC000079417322 169814859 /nfs/dbraw/zinc/81/48/59/169814859.db2.gz SZFBZMMUNFINTG-UHFFFAOYSA-N 0 3 241.335 0.052 40 0 BCABHN OCCN1CCCC[C@H]1c1cc(CO)[nH]n1 ZINC000072356862 183072120 /nfs/dbraw/zinc/07/21/20/183072120.db2.gz MKSQCQSQIRDXMJ-NSHDSACASA-N 0 3 225.292 0.421 40 0 BCABHN OC[C@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC000035855131 183154780 /nfs/dbraw/zinc/15/47/80/183154780.db2.gz XQYUBSUGHRDQSN-NEPJUHHUSA-N 0 3 207.273 0.472 40 0 BCABHN CCS(=O)(=O)[C@]1(CN)C[C@H](CO)C[C@@H]1C ZINC000096532284 170623603 /nfs/dbraw/zinc/62/36/03/170623603.db2.gz HXNBCANTWUXVAR-AEJSXWLSSA-N 0 3 235.349 0.157 40 0 BCABHN c1c2c(nnc1OC[C@@H]1CCCO1)CCNC2 ZINC000328579735 183322051 /nfs/dbraw/zinc/32/20/51/183322051.db2.gz YXNFDZISLOKKRV-JTQLQIEISA-N 0 3 235.287 0.680 40 0 BCABHN c1cc(CNC[C@@H]2Cn3nncc3CO2)co1 ZINC000096199117 183350793 /nfs/dbraw/zinc/35/07/93/183350793.db2.gz CLTIPVSDSFHYRW-LLVKDONJSA-N 0 3 234.259 0.560 40 0 BCABHN c1nc(CNc2ncccn2)c2n1CCCNC2 ZINC000306127538 183482230 /nfs/dbraw/zinc/48/22/30/183482230.db2.gz GBGJJEXAIAJCIN-UHFFFAOYSA-N 0 3 244.302 0.779 40 0 BCABHN CNCC(=O)N1CCOc2ccc(C)cc2C1 ZINC000409435670 383836679 /nfs/dbraw/zinc/83/66/79/383836679.db2.gz WCQDSRVWCYCEAQ-UHFFFAOYSA-N 0 3 234.299 0.935 40 0 BCABHN COC[C@]1(C(F)(F)F)CCN(CCO)C1 ZINC000409434862 383838665 /nfs/dbraw/zinc/83/86/65/383838665.db2.gz QYOFSNSRSMWEOM-QMMMGPOBSA-N 0 3 227.226 0.880 40 0 BCABHN CCN(CC)CCNCc1ccnn1C ZINC000036901116 383916896 /nfs/dbraw/zinc/91/68/96/383916896.db2.gz YYMJTZNGACMTPB-UHFFFAOYSA-N 0 3 210.325 0.852 40 0 BCABHN CC(C)C[C@@H]1NC(=O)N(CCN(C)C)C1=O ZINC000001685754 383923222 /nfs/dbraw/zinc/92/32/22/383923222.db2.gz YSRURLXSDWRLLK-VIFPVBQESA-N 0 3 227.308 0.515 40 0 BCABHN CN(C)C[C@@H]1CC(=O)[C@H](CN(C)C)CC1=O ZINC000001717768 383928436 /nfs/dbraw/zinc/92/84/36/383928436.db2.gz QINBNIQHVSHFQT-UWVGGRQHSA-N 0 3 226.320 0.274 40 0 BCABHN CNc1nc(C)cc(N2CCNCC2)n1 ZINC000008731116 383929485 /nfs/dbraw/zinc/92/94/85/383929485.db2.gz ZIHATJWATHFWFO-UHFFFAOYSA-N 0 3 207.281 0.236 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C)C1 ZINC000079407392 384138038 /nfs/dbraw/zinc/13/80/38/384138038.db2.gz HNGGYBXVWVGZEZ-ONGXEEELSA-N 0 3 225.336 0.419 40 0 BCABHN CC(C)N(C(=O)CN)C1CCN(C)CC1 ZINC000079406963 384135143 /nfs/dbraw/zinc/13/51/43/384135143.db2.gz GEKLNKCNCHNAEV-UHFFFAOYSA-N 0 3 213.325 0.276 40 0 BCABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C)C1 ZINC000079407712 384138072 /nfs/dbraw/zinc/13/80/72/384138072.db2.gz RXWBCVMMDVDYHM-RYUDHWBXSA-N 0 3 239.363 0.665 40 0 BCABHN COC[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C ZINC000079392054 384132549 /nfs/dbraw/zinc/13/25/49/384132549.db2.gz PBHXFQGVMCWVKG-UWVGGRQHSA-N 0 3 214.309 0.607 40 0 BCABHN CCN(C(C)=O)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079417330 384139250 /nfs/dbraw/zinc/13/92/50/384139250.db2.gz CGDQNLXSRHEOBQ-WDEREUQCSA-N 0 3 241.335 0.241 40 0 BCABHN CC(=O)N(CC1CCN(CCO)CC1)C1CC1 ZINC000079416596 384139676 /nfs/dbraw/zinc/13/96/76/384139676.db2.gz NFIDNLXUCAWILB-UHFFFAOYSA-N 0 3 240.347 0.702 40 0 BCABHN CCN(C[C@@H]1CCCCN1C(=O)CN)C(C)=O ZINC000079417308 384139758 /nfs/dbraw/zinc/13/97/58/384139758.db2.gz NTHKAKJQVBSOKT-NSHDSACASA-N 0 3 241.335 0.195 40 0 BCABHN CC(=O)N(C)C[C@H]1CCCN(CCO)C1 ZINC000079416390 384140412 /nfs/dbraw/zinc/14/04/12/384140412.db2.gz LEEHIHWNHMUPOB-LLVKDONJSA-N 0 3 214.309 0.169 40 0 BCABHN Cc1c[nH]nc1C1CCN(CCO)CC1 ZINC000072356868 384210298 /nfs/dbraw/zinc/21/02/98/384210298.db2.gz QIDAPHKNZQRKKU-UHFFFAOYSA-N 0 3 209.293 0.890 40 0 BCABHN Cn1cc(CN2CCC[C@@](C)(C(N)=O)C2)cn1 ZINC000072378228 384217459 /nfs/dbraw/zinc/21/74/59/384217459.db2.gz PNTMBCBWVPFTPN-GFCCVEGCSA-N 0 3 236.319 0.508 40 0 BCABHN CN(C)C[C@@H]1CC2(CN(c3ncccn3)C2)CO1 ZINC000096239516 384445065 /nfs/dbraw/zinc/44/50/65/384445065.db2.gz OLTCDNRUMIMTIZ-NSHDSACASA-N 0 3 248.330 0.634 40 0 BCABHN CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCCNC2 ZINC000096157268 384440459 /nfs/dbraw/zinc/44/04/59/384440459.db2.gz POSYTPXCOMUOHG-GFCCVEGCSA-N 0 3 239.319 0.752 40 0 BCABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCN(C)C1 ZINC000079407364 384492570 /nfs/dbraw/zinc/49/25/70/384492570.db2.gz SXNOEKHZFPPOTM-WCBMZHEXSA-N 0 3 211.309 0.029 40 0 BCABHN CC(C)c1nc2c(c(=O)[n-]1)C[N@H+](C)CC2 ZINC000139228733 384607856 /nfs/dbraw/zinc/60/78/56/384607856.db2.gz WDBIXCITNJQSOX-UHFFFAOYSA-N 0 3 207.277 0.881 40 0 BCABHN CC(C)c1nc2c(c(=O)[n-]1)C[N@@H+](C)CC2 ZINC000139228733 384607864 /nfs/dbraw/zinc/60/78/64/384607864.db2.gz WDBIXCITNJQSOX-UHFFFAOYSA-N 0 3 207.277 0.881 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1N ZINC000259519042 384963867 /nfs/dbraw/zinc/96/38/67/384963867.db2.gz ABPWYJBKUUVONI-SFYZADRCSA-N 0 3 216.281 0.627 40 0 BCABHN CN(C)C(=O)c1conc1[C@H]1CCCN1 ZINC000072208423 385060460 /nfs/dbraw/zinc/06/04/60/385060460.db2.gz ICZZXMDLWJUWKI-MRVPVSSYSA-N 0 3 209.249 0.801 40 0 BCABHN Nc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717382 385030311 /nfs/dbraw/zinc/03/03/11/385030311.db2.gz VRSOWOULFSWIAC-LBPRGKRZSA-N 0 3 244.298 0.882 40 0 BCABHN Cc1cc([C@@H](C)O)cnc1N1CCNCC1 ZINC000072222533 385110533 /nfs/dbraw/zinc/11/05/33/385110533.db2.gz ZBBLRKGXIQRDBK-SNVBAGLBSA-N 0 3 221.304 0.853 40 0 BCABHN Cc1nc(N2CCNCC2)ccc1[C@H](C)O ZINC000072224621 385118120 /nfs/dbraw/zinc/11/81/20/385118120.db2.gz YDLFIXNMHIJNCR-JTQLQIEISA-N 0 3 221.304 0.853 40 0 BCABHN NCc1cn(CCOc2ccc(F)cc2)nn1 ZINC000050224737 385312527 /nfs/dbraw/zinc/31/25/27/385312527.db2.gz RFYNFAUDAWZSLD-UHFFFAOYSA-N 0 3 236.250 0.955 40 0 BCABHN c1cn(-c2cc(N3CCNCC3)ncn2)cn1 ZINC000096517263 385314226 /nfs/dbraw/zinc/31/42/26/385314226.db2.gz UPGCRDLQSJWHNT-UHFFFAOYSA-N 0 3 230.275 0.072 40 0 BCABHN CC(C)(C)OC(=O)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC000206888140 385321270 /nfs/dbraw/zinc/32/12/70/385321270.db2.gz SZLUJRHLIZAWGS-ZJUUUORDSA-N 0 3 242.319 0.672 40 0 BCABHN Cc1nc(N2CCC[C@H](N)C2)n(C)c(=O)c1C ZINC000096516775 385261204 /nfs/dbraw/zinc/26/12/04/385261204.db2.gz DYODDMWGSGWBRG-JTQLQIEISA-N 0 3 236.319 0.325 40 0 BCABHN CO[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000151889089 385322673 /nfs/dbraw/zinc/32/26/73/385322673.db2.gz MSNHYYJCTHWAPX-QWRGUYRKSA-N 0 3 226.320 0.766 40 0 BCABHN C[C@H](N)C(=O)N1CCC(CCF)CC1 ZINC000409424630 385333939 /nfs/dbraw/zinc/33/39/39/385333939.db2.gz CLIQEGJROFAJNZ-QMMMGPOBSA-N 0 3 202.273 0.932 40 0 BCABHN O=c1c2c(cnn1CC(F)(F)F)CCNC2 ZINC000095098026 385484209 /nfs/dbraw/zinc/48/42/09/385484209.db2.gz IFVQGFVXLOVUOC-UHFFFAOYSA-N 0 3 233.193 0.451 40 0 BCABHN CN(C)CCCn1cccc(C=O)c1=O ZINC000095098131 385485293 /nfs/dbraw/zinc/48/52/93/385485293.db2.gz CKQFRXGMVKVZEH-UHFFFAOYSA-N 0 3 208.261 0.613 40 0 BCABHN CN1CCC(C[N@H+](C)CC(=O)[O-])CC1 ZINC000063121046 385592608 /nfs/dbraw/zinc/59/26/08/385592608.db2.gz SFSZEPVAPTTWSX-UHFFFAOYSA-N 0 3 200.282 0.345 40 0 BCABHN CN1CCC(C[N@@H+](C)CC(=O)[O-])CC1 ZINC000063121046 385592610 /nfs/dbraw/zinc/59/26/10/385592610.db2.gz SFSZEPVAPTTWSX-UHFFFAOYSA-N 0 3 200.282 0.345 40 0 BCABHN Cn1nccc1NC(=O)[C@H]1CCCCN1 ZINC000044593694 385808998 /nfs/dbraw/zinc/80/89/98/385808998.db2.gz KRIYGBYFZUMBBI-MRVPVSSYSA-N 0 3 208.265 0.501 40 0 BCABHN Cn1nccc1NC(=O)[C@@H]1CCCCN1 ZINC000044593693 385809531 /nfs/dbraw/zinc/80/95/31/385809531.db2.gz KRIYGBYFZUMBBI-QMMMGPOBSA-N 0 3 208.265 0.501 40 0 BCABHN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N ZINC000095932907 385890218 /nfs/dbraw/zinc/89/02/18/385890218.db2.gz MOKVJORVJPSZHK-JGVFFNPUSA-N 0 3 244.291 0.354 40 0 BCABHN NC[C@@H]1CCN(Cc2ccccc2)S1(=O)=O ZINC000222536293 386052089 /nfs/dbraw/zinc/05/20/89/386052089.db2.gz RLACZVXZQXEMDJ-NSHDSACASA-N 0 3 240.328 0.549 40 0 BCABHN Cc1cnc(N2CCN[C@@H](C)C2)c(N)c1 ZINC000225395027 386191281 /nfs/dbraw/zinc/19/12/81/386191281.db2.gz AQASWSJVBUOYSN-VIFPVBQESA-N 0 3 206.293 0.770 40 0 BCABHN NC[C@@H](c1ccc2c(c1)CCO2)N1CCOCC1 ZINC000037363620 386230075 /nfs/dbraw/zinc/23/00/75/386230075.db2.gz QGOSJHBZCKCFCV-ZDUSSCGKSA-N 0 3 248.326 0.954 40 0 BCABHN CNCc1ccc(C[C@H]2CNC(=O)OC2)o1 ZINC000218690858 386364345 /nfs/dbraw/zinc/36/43/45/386364345.db2.gz WWHVYPVCNDXPGY-QMMMGPOBSA-N 0 3 224.260 0.898 40 0 BCABHN c1cnc(N2CCC[C@@]3(CNCCO3)C2)cn1 ZINC000096226799 387021823 /nfs/dbraw/zinc/02/18/23/387021823.db2.gz WBZHEXQZKADIAJ-GFCCVEGCSA-N 0 3 234.303 0.435 40 0 BCABHN CC(C)C(=O)N1CCC[C@]2(CNCCO2)C1 ZINC000096226788 387022243 /nfs/dbraw/zinc/02/22/43/387022243.db2.gz YGLNYKZSZUZXGQ-LBPRGKRZSA-N 0 3 226.320 0.623 40 0 BCABHN CSC1=CS(=O)(=O)[C@@H]2SC(=N)N[C@H]12 ZINC000016789902 388365956 /nfs/dbraw/zinc/36/59/56/388365956.db2.gz UKWAZEMJCGAPFY-UHNVWZDZSA-N 0 3 236.343 0.585 40 0 BCABHN NC[C@@H]1C(=O)NCC[C@@H]1c1ccccc1 ZINC000217680648 388379425 /nfs/dbraw/zinc/37/94/25/388379425.db2.gz IUUJVHVYPKLSTN-MNOVXSKESA-N 0 3 204.273 0.865 40 0 BCABHN CCNc1ncc(CNC[C@H](C)O)cn1 ZINC000062717580 388656197 /nfs/dbraw/zinc/65/61/97/388656197.db2.gz AZRCINNUMCHKMH-QMMMGPOBSA-N 0 3 210.281 0.379 40 0 BCABHN CCOc1cc(N2CCN[C@@H](C)C2)ncn1 ZINC000079438783 388696226 /nfs/dbraw/zinc/69/62/26/388696226.db2.gz JWGZPITVQVRCCP-VIFPVBQESA-N 0 3 222.292 0.673 40 0 BCABHN COc1cc(N2CCNCC2)nc(SC)n1 ZINC000079439623 388696235 /nfs/dbraw/zinc/69/62/35/388696235.db2.gz FWNKBTFDUHMUCC-UHFFFAOYSA-N 0 3 240.332 0.617 40 0 BCABHN Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2)n1 ZINC000257257676 388698568 /nfs/dbraw/zinc/69/85/68/388698568.db2.gz KQRMTIJSGCATJH-LLVKDONJSA-N 0 3 220.276 0.483 40 0 BCABHN Cc1cc2c(N3CCNCC3)nccn2n1 ZINC000096516376 132241949 /nfs/dbraw/zinc/24/19/49/132241949.db2.gz IAYUZWIKLUYPRK-UHFFFAOYSA-N 0 3 217.276 0.447 40 0 BCABHN Cc1ccc(N2CCN(C(=O)CN)CC2)cc1 ZINC000002457416 132314719 /nfs/dbraw/zinc/31/47/19/132314719.db2.gz FPCBEPWPSDQUSL-UHFFFAOYSA-N 0 3 233.315 0.602 40 0 BCABHN Cc1cc(N2CCNCC2)nc2nn(C)cc21 ZINC000012398896 132321381 /nfs/dbraw/zinc/32/13/81/132321381.db2.gz RGGOKAZLPRVAEE-UHFFFAOYSA-N 0 3 231.303 0.686 40 0 BCABHN CC(=O)c1ccc(N2CCNCC2)nc1 ZINC000026898919 132334044 /nfs/dbraw/zinc/33/40/44/132334044.db2.gz GMXCNEVKXXJSLA-UHFFFAOYSA-N 0 3 205.261 0.694 40 0 BCABHN NCc1cccnc1N1CCC[C@@H](O)C1 ZINC000036796691 132342800 /nfs/dbraw/zinc/34/28/00/132342800.db2.gz FZYKYPATMXCHNR-SNVBAGLBSA-N 0 3 207.277 0.501 40 0 BCABHN CSc1nccc(N2CCN[C@@H](C)C2)n1 ZINC000072203041 132396347 /nfs/dbraw/zinc/39/63/47/132396347.db2.gz RKATTWKVEZBGHT-QMMMGPOBSA-N 0 3 224.333 0.997 40 0 BCABHN c1cc(N2CCNCC2)nc(N2CCCCC2)n1 ZINC000084570285 132426515 /nfs/dbraw/zinc/42/65/15/132426515.db2.gz JSCALQMWZYDWSI-UHFFFAOYSA-N 0 3 247.346 0.877 40 0 BCABHN CNCC(=O)N1CCC(C)(COC)CC1 ZINC000261548153 135242079 /nfs/dbraw/zinc/24/20/79/135242079.db2.gz NEXQCVSHIQBVKK-UHFFFAOYSA-N 0 3 214.309 0.481 40 0 BCABHN CSC1=CS(=O)(=O)[C@@H]2SC(=N)N[C@@H]12 ZINC000136428776 397736898 /nfs/dbraw/zinc/73/68/98/397736898.db2.gz UKWAZEMJCGAPFY-WHFBIAKZSA-N 0 3 236.343 0.375 40 0 BCABHN Cn1nc(C(F)(F)F)cc1CNCCO ZINC000256049804 398040514 /nfs/dbraw/zinc/04/05/14/398040514.db2.gz BMHIERUFHBINOK-UHFFFAOYSA-N 0 3 223.198 0.521 40 0 BCABHN CC(C)[NH2+]C[C@H](O)c1ccc([O-])c(NC=O)c1 ZINC000001869830 167115629 /nfs/dbraw/zinc/11/56/29/167115629.db2.gz VXTQPQRWOVZYGC-LBPRGKRZSA-N 0 3 238.287 0.992 40 0 BCABHN CO[C@@H]1C[NH2+][C@H](c2nc3ncccc3c(=O)[n-]2)C1 ZINC000253536288 411300564 /nfs/dbraw/zinc/30/05/64/411300564.db2.gz MNAQGCZPJANLRK-CBAPKCEASA-N 0 3 246.270 0.780 40 0 BCABHN CC1(C)[C@H]2CC[C@]1(C(=O)NCCN)C(=O)C2 ZINC000085385734 168010250 /nfs/dbraw/zinc/01/02/50/168010250.db2.gz ISBZBORJTCSILI-QPUJVOFHSA-N 0 3 224.304 0.457 40 0 BCABHN CC1CCN(C(=O)CNCCN(C)C)CC1 ZINC000022586136 168171746 /nfs/dbraw/zinc/17/17/46/168171746.db2.gz BEJIPQLMYKDDFH-UHFFFAOYSA-N 0 3 227.352 0.396 40 0 BCABHN CCOC(=O)[C@@]1(CN)CC[C@H](S(C)(=O)=O)C1 ZINC000217935798 170263237 /nfs/dbraw/zinc/26/32/37/170263237.db2.gz OJHUGMCOKXBAJZ-WPRPVWTQSA-N 0 3 249.332 0.092 40 0 BCABHN CN1CCN(C[C@H]2C(=O)[C@H]3CC[C@@H]2C3)CC1 ZINC000019864893 173084150 /nfs/dbraw/zinc/08/41/50/173084150.db2.gz AZDLVOLXVIREKE-GRYCIOLGSA-N 0 3 222.332 0.849 40 0 BCABHN CN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000096184227 173135221 /nfs/dbraw/zinc/13/52/21/173135221.db2.gz KREXOWWBOVVWSM-WDEREUQCSA-N 0 3 232.287 0.395 40 0 BCABHN CN1CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccn1 ZINC000096184234 173135954 /nfs/dbraw/zinc/13/59/54/173135954.db2.gz ZAJRZGQTONVSQU-CHWSQXEVSA-N 0 3 245.326 0.929 40 0 BCABHN CN1CC[C@H](c2nnc(-c3cncn3C)o2)C1 ZINC000049170460 173158848 /nfs/dbraw/zinc/15/88/48/173158848.db2.gz BFPURLSTLJZCIS-QMMMGPOBSA-N 0 3 233.275 0.889 40 0 biogenic,in-vitro BCABHN CN1C[C@@H]2COC[C@]2(CC(=O)N2CCCO2)C1 ZINC000096209519 173190818 /nfs/dbraw/zinc/19/08/18/173190818.db2.gz CGDGPHVFTOIEHM-PWSUYJOCSA-N 0 3 240.303 0.119 40 0 BCABHN CN1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](O)C1 ZINC000226327424 173195996 /nfs/dbraw/zinc/19/59/96/173195996.db2.gz LZVSIYWYYWXNDN-USWWRNFRSA-N 0 3 204.273 0.871 40 0 BCABHN CNC(=O)c1cc(C2CCN(C)CC2)ncn1 ZINC000072381200 173309686 /nfs/dbraw/zinc/30/96/86/173309686.db2.gz NDZBHWXDBASESU-UHFFFAOYSA-N 0 3 234.303 0.645 40 0 BCABHN CNCC(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257341087 173325719 /nfs/dbraw/zinc/32/57/19/173325719.db2.gz ZIUJXSYNYGNBCT-UHFFFAOYSA-N 0 3 236.319 0.509 40 0 BCABHN CNCC(=O)N1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072383401 173326223 /nfs/dbraw/zinc/32/62/23/173326223.db2.gz KXWRMJIZEFQCLB-SNVBAGLBSA-N 0 3 249.318 0.332 40 0 BCABHN COCCCNC(=O)[C@@H](N)CCSC ZINC000011754916 174243368 /nfs/dbraw/zinc/24/33/68/174243368.db2.gz GKHSEMLREPHEIB-QMMMGPOBSA-N 0 3 220.338 0.220 40 0 BCABHN COCCNCC(=O)N1CCCCC1 ZINC000004969252 174331047 /nfs/dbraw/zinc/33/10/47/174331047.db2.gz MZIAPEIZRWMSAQ-UHFFFAOYSA-N 0 3 200.282 0.235 40 0 BCABHN COCCN[C@H](C)C(=O)N1CCCC1 ZINC000004969273 174339226 /nfs/dbraw/zinc/33/92/26/174339226.db2.gz GIZOZZUHUMQKPI-SECBINFHSA-N 0 3 200.282 0.233 40 0 BCABHN COc1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000011957447 175104617 /nfs/dbraw/zinc/10/46/17/175104617.db2.gz DXDLSFSUVHWKEJ-QMMMGPOBSA-N 0 3 208.261 0.659 40 0 BCABHN COc1ccccc1CN(C)C(=O)CN ZINC000037980616 175324163 /nfs/dbraw/zinc/32/41/63/175324163.db2.gz NZINPQWBRRZKFJ-UHFFFAOYSA-N 0 3 208.261 0.612 40 0 BCABHN C[C@H]1CCC[C@H](C)N1C(=O)CNCCN(C)C ZINC000022586128 177131195 /nfs/dbraw/zinc/13/11/95/177131195.db2.gz XOGTXDKRSNGZNS-RYUDHWBXSA-N 0 3 241.379 0.927 40 0 BCABHN O=C1CCCN1CC[C@H]1CCOC12CNC2 ZINC000253616723 526974719 /nfs/dbraw/zinc/97/47/19/526974719.db2.gz AYVRFKHTQQDJDV-JTQLQIEISA-N 0 3 224.304 0.377 40 0 BCABHN NC1CN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000087584032 487471686 /nfs/dbraw/zinc/47/16/86/487471686.db2.gz PRHWIMNXEYNGJA-UHFFFAOYSA-N 0 3 229.283 0.880 40 0 BCABHN CCN(CC)C(=O)CN1CCC(CCO)CC1 ZINC000400993857 259310400 /nfs/dbraw/zinc/31/04/00/259310400.db2.gz ZUILICGHDJNYGS-UHFFFAOYSA-N 0 3 242.363 0.949 40 0 BCABHN C[C@@]1(CC[NH+]2CCCC2)NC(=O)[N-]C1=O ZINC000001668104 342707775 /nfs/dbraw/zinc/70/77/75/342707775.db2.gz JHIQAJFKMHMNNW-JTQLQIEISA-N 0 3 211.265 0.070 40 0 BCABHN COC(=O)[C@@]1(O)C[C@H](C)N(C)C[C@H]1C ZINC000003901845 342739298 /nfs/dbraw/zinc/73/92/98/342739298.db2.gz FVNFPDGQPQTTTR-KHQFGBGNSA-N 0 3 201.266 0.251 40 0 BCABHN Cn1c(=O)cc([NH2+]Nc2ccccc2)[n-]c1=O ZINC000006375626 342776907 /nfs/dbraw/zinc/77/69/07/342776907.db2.gz VSASEVQEFPDBTO-UHFFFAOYSA-N 0 3 232.243 0.984 40 0 BCABHN CCCCS[C@H]1CS(=O)(=O)C[C@H]1N ZINC000040166323 349666004 /nfs/dbraw/zinc/66/60/04/349666004.db2.gz FHKVCSJLPFKXSX-SFYZADRCSA-N 0 3 223.363 0.644 40 0 BCABHN CCCCCN(C)C12CN3CN(CN(C3)C1)C2 ZINC000019319040 342945389 /nfs/dbraw/zinc/94/53/89/342945389.db2.gz IICUVYCGIGZGBO-UHFFFAOYSA-N 0 3 238.379 0.667 40 0 BCABHN CCCCN(C)C12CN3CN(CN(C3)C1)C2 ZINC000019319030 342945593 /nfs/dbraw/zinc/94/55/93/342945593.db2.gz ICDKARPLHDZECC-UHFFFAOYSA-N 0 3 224.352 0.276 40 0 BCABHN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000037815204 343315320 /nfs/dbraw/zinc/31/53/20/343315320.db2.gz YHRSGTSNEJSAOV-MNOVXSKESA-N 0 3 241.335 0.097 40 0 BCABHN CN(c1ccccc1CN)S(C)(=O)=O ZINC000038540331 343376844 /nfs/dbraw/zinc/37/68/44/343376844.db2.gz HOZKSOYMOBLWKZ-UHFFFAOYSA-N 0 3 214.290 0.541 40 0 BCABHN CC(C)(C)OC(=O)N[C@H]1CNC[C@H]1F ZINC000039093252 343382041 /nfs/dbraw/zinc/38/20/41/343382041.db2.gz BZSDDSIFAGBZLT-RQJHMYQMSA-N 0 3 204.245 0.821 40 0 BCABHN NC1CN(CC(=O)Nc2ccccc2)C1 ZINC000082595779 343450684 /nfs/dbraw/zinc/45/06/84/343450684.db2.gz RAIHFCGUOGSQHX-UHFFFAOYSA-N 0 3 205.261 0.268 40 0 BCABHN C[C@H](O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1 ZINC000409427938 343802259 /nfs/dbraw/zinc/80/22/59/343802259.db2.gz LDFKSOUQVUOGHL-DCAQKATOSA-N 0 3 226.320 0.500 40 0 BCABHN c1nc(N2CCC2)cc(N2CCNCC2)n1 ZINC000409428038 343802507 /nfs/dbraw/zinc/80/25/07/343802507.db2.gz LFDMAIDAQZTORS-UHFFFAOYSA-N 0 3 219.292 0.096 40 0 BCABHN C[C@@H]1CCCCN1C(=O)Cn1cc(CN)nn1 ZINC000050224768 343782650 /nfs/dbraw/zinc/78/26/50/343782650.db2.gz KTTIYKXQUVOVOZ-SECBINFHSA-N 0 3 237.307 0.138 40 0 BCABHN CC1(C)CN(C(=O)[C@H]2CCCCN2)C[C@H]1CO ZINC000409428120 343802570 /nfs/dbraw/zinc/80/25/70/343802570.db2.gz FYDIJWNFHBLMOX-WDEREUQCSA-N 0 3 240.347 0.605 40 0 BCABHN CCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000409428047 343802601 /nfs/dbraw/zinc/80/26/01/343802601.db2.gz YMHKHQUKZUMBSI-SNVBAGLBSA-N 0 3 237.307 0.310 40 0 BCABHN CC(C)N1CCO[C@@]2(CCCNC2)C1=O ZINC000409428077 343802696 /nfs/dbraw/zinc/80/26/96/343802696.db2.gz YUAMPBMUINONTK-LLVKDONJSA-N 0 3 212.293 0.376 40 0 BCABHN c1c2c(nnc1N1CCNCC1)CCC2 ZINC000108315639 343786225 /nfs/dbraw/zinc/78/62/25/343786225.db2.gz IGILTSDETMKWCN-UHFFFAOYSA-N 0 3 204.277 0.375 40 0 BCABHN COc1cc(OC)cc(-n2cc(CN)nn2)c1 ZINC000211190732 343791752 /nfs/dbraw/zinc/79/17/52/343791752.db2.gz ZEGYJFZKWCFWQJ-UHFFFAOYSA-N 0 3 234.259 0.743 40 0 BCABHN NC1CN(C(=O)c2cnc3ccccc3n2)C1 ZINC000229887227 343793866 /nfs/dbraw/zinc/79/38/66/343793866.db2.gz ZOKUIJRHUGFTCB-UHFFFAOYSA-N 0 3 228.255 0.413 40 0 BCABHN CCc1nn(CC(F)F)c(=O)n1C1CNC1 ZINC000409426550 343798402 /nfs/dbraw/zinc/79/84/02/343798402.db2.gz QVPSILMWQPZSRK-UHFFFAOYSA-N 0 3 232.234 0.017 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000409426697 343798599 /nfs/dbraw/zinc/79/85/99/343798599.db2.gz INOZVLIZBYTUDW-WOPDTQHZSA-N 0 3 238.331 0.623 40 0 BCABHN CCN1CC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409426877 343799386 /nfs/dbraw/zinc/79/93/86/343799386.db2.gz STVPHHRICXOKRC-SECBINFHSA-N 0 3 208.265 0.432 40 0 BCABHN CCOC[C@H]1CN(CC(=N)NO)C[C@@H]1C ZINC000409427032 343799651 /nfs/dbraw/zinc/79/96/51/343799651.db2.gz DOJHBPNEGKNDPI-DTWKUNHWSA-N 0 3 215.297 0.547 40 0 BCABHN CNCC(=O)N1CC[C@@]2(C1)CCCCO2 ZINC000409427022 343799683 /nfs/dbraw/zinc/79/96/83/343799683.db2.gz JHEYGIYCUOPVBH-LLVKDONJSA-N 0 3 212.293 0.377 40 0 BCABHN COC[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1 ZINC000409427107 343800220 /nfs/dbraw/zinc/80/02/20/343800220.db2.gz JOBKXXDPHKYNNK-QWRGUYRKSA-N 0 3 226.320 0.766 40 0 BCABHN COC[C@@H]1CN(C(=O)[C@@H](C)N)CC1(C)C ZINC000409427322 343800524 /nfs/dbraw/zinc/80/05/24/343800524.db2.gz DSXPFAGRLAWYLK-BDAKNGLRSA-N 0 3 214.309 0.465 40 0 BCABHN O=Cc1cn([C@H]2CCN(CC3CC3)C2)nn1 ZINC000409427262 343800575 /nfs/dbraw/zinc/80/05/75/343800575.db2.gz VMOJWDMIGHJZGS-NSHDSACASA-N 0 3 220.276 0.747 40 0 BCABHN CCCN1CC[C@H](n2cc(CO)nn2)C1 ZINC000409427709 343801631 /nfs/dbraw/zinc/80/16/31/343801631.db2.gz XKJCBYDGAMEUDG-JTQLQIEISA-N 0 3 210.281 0.427 40 0 BCABHN O=C1N(C2CC2)CCO[C@@]12CCCNC2 ZINC000409427647 343801719 /nfs/dbraw/zinc/80/17/19/343801719.db2.gz WVKLEPROTCJUQG-LLVKDONJSA-N 0 3 210.277 0.130 40 0 BCABHN CN(CC(=N)NO)C1CCSCC1 ZINC000403958640 343812134 /nfs/dbraw/zinc/81/21/34/343812134.db2.gz GWPPOWKZWZSEOP-UHFFFAOYSA-N 0 3 203.311 0.770 40 0 BCABHN CC(C)(C)c1cc2c(=O)n(CCN)ncn2n1 ZINC000409422522 343813699 /nfs/dbraw/zinc/81/36/99/343813699.db2.gz HUUPBRDHWFCXMU-UHFFFAOYSA-N 0 3 235.291 0.147 40 0 BCABHN CCOc1ncccc1C(=O)N1CC(N)C1 ZINC000409422602 343813852 /nfs/dbraw/zinc/81/38/52/343813852.db2.gz GOKPYWUCCVMHMY-UHFFFAOYSA-N 0 3 221.260 0.263 40 0 BCABHN O=c1n(CC(F)F)nc(C2CC2)n1C1CNC1 ZINC000409423198 343814930 /nfs/dbraw/zinc/81/49/30/343814930.db2.gz APYYOYRJRHTZDH-UHFFFAOYSA-N 0 3 244.245 0.332 40 0 BCABHN OCc1cn([C@@H]2CCN(C3CCC3)C2)nn1 ZINC000409423360 343815241 /nfs/dbraw/zinc/81/52/41/343815241.db2.gz BLIPLTGUKAFVIJ-LLVKDONJSA-N 0 3 222.292 0.570 40 0 BCABHN C[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)O ZINC000409423742 343815909 /nfs/dbraw/zinc/81/59/09/343815909.db2.gz AITSCCLOMFYXOU-CIUDSAMLSA-N 0 3 200.282 0.096 40 0 BCABHN N=C(CN1C[C@H]2CCC[C@@]2(CO)C1)NO ZINC000409425300 343818716 /nfs/dbraw/zinc/81/87/16/343818716.db2.gz AGLSUZHNZSYANS-SCZZXKLOSA-N 0 3 213.281 0.037 40 0 BCABHN C[C@H](O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000409425201 343818762 /nfs/dbraw/zinc/81/87/62/343818762.db2.gz FKRIKPGIOWNFJL-SDDRHHMPSA-N 0 3 240.347 0.748 40 0 BCABHN CNCC(=O)N(C1CC1)[C@H]1CCSC1 ZINC000409425524 343819858 /nfs/dbraw/zinc/81/98/58/343819858.db2.gz AMBGBASXGWVBKH-VIFPVBQESA-N 0 3 214.334 0.702 40 0 BCABHN CNCC(=O)N1C[C@@H]2CCCC[C@]2(COC)C1 ZINC000409425712 343820408 /nfs/dbraw/zinc/82/04/08/343820408.db2.gz BDYYKHLLAJAWSV-WCQYABFASA-N 0 3 240.347 0.871 40 0 BCABHN CCN1CCCC[C@H]1Cn1cc(CO)nn1 ZINC000409426350 343822274 /nfs/dbraw/zinc/82/22/74/343822274.db2.gz QMNHEIJTBQRLOV-NSHDSACASA-N 0 3 224.308 0.645 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCC2(COC2)CC1 ZINC000409432159 343825639 /nfs/dbraw/zinc/82/56/39/343825639.db2.gz UORBYCNAMCOBAX-LLVKDONJSA-N 0 3 238.331 0.768 40 0 BCABHN C[C@H](N)C(=O)N1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409428608 343804248 /nfs/dbraw/zinc/80/42/48/343804248.db2.gz GTTXXLZCPUKFLO-DCAQKATOSA-N 0 3 226.320 0.751 40 0 BCABHN O[C@@H]1CC2(CNC2)Oc2ccc(F)cc21 ZINC000409430145 343807781 /nfs/dbraw/zinc/80/77/81/343807781.db2.gz FQTBRDCONWDONG-SECBINFHSA-N 0 3 209.220 0.984 40 0 BCABHN N=C(CN1CCC[C@@]2(CCCCO2)C1)NO ZINC000409431103 343809717 /nfs/dbraw/zinc/80/97/17/343809717.db2.gz RWWVJQBEUVUYNW-NSHDSACASA-N 0 3 227.308 0.978 40 0 BCABHN COC[C@@]12CN(C(=O)CN)C[C@H]1CCCC2 ZINC000409431170 343809915 /nfs/dbraw/zinc/80/99/15/343809915.db2.gz JNYRAWPLYWUZDL-ZYHUDNBSSA-N 0 3 226.320 0.610 40 0 BCABHN COC[C@H]1CCCCN1CC(=N)NO ZINC000396053026 343810812 /nfs/dbraw/zinc/81/08/12/343810812.db2.gz CTMBXOWDDNVMTJ-MRVPVSSYSA-N 0 3 201.270 0.443 40 0 BCABHN Oc1cccc2c1[C@H](O)CC1(CNC1)O2 ZINC000409433556 343829226 /nfs/dbraw/zinc/82/92/26/343829226.db2.gz SNVCHYYMPSXSPR-MRVPVSSYSA-N 0 3 207.229 0.550 40 0 BCABHN CO[C@H]1CCO[C@]2(CCN(CC(=N)NO)C2)C1 ZINC000409434362 343831546 /nfs/dbraw/zinc/83/15/46/343831546.db2.gz OVJDXKKYNXZBCP-GXSJLCMTSA-N 0 3 243.307 0.212 40 0 BCABHN N=C(CN1CCOC[C@@H]2CCCC[C@@H]21)NO ZINC000409434371 343831642 /nfs/dbraw/zinc/83/16/42/343831642.db2.gz OWPZWWSEMPFJSL-UWVGGRQHSA-N 0 3 227.308 0.833 40 0 BCABHN CNCC(=O)N1C[C@H]2CCC[C@]2(COC)C1 ZINC000409435198 343832513 /nfs/dbraw/zinc/83/25/13/343832513.db2.gz SWBIMTMTJASLGJ-ZYHUDNBSSA-N 0 3 226.320 0.481 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@H](C)N)CC12CCC2 ZINC000409435447 343833073 /nfs/dbraw/zinc/83/30/73/343833073.db2.gz URZIAPGPVUMOOZ-QWRGUYRKSA-N 0 3 240.347 0.999 40 0 BCABHN CCOC[C@H]1CN(C(=O)[C@@H](C)N)CC12CCC2 ZINC000409435445 343833078 /nfs/dbraw/zinc/83/30/78/343833078.db2.gz URZIAPGPVUMOOZ-GHMZBOCLSA-N 0 3 240.347 0.999 40 0 BCABHN CNCC(=O)N1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409434773 343834689 /nfs/dbraw/zinc/83/46/89/343834689.db2.gz QNDDSRALKVXTMF-WDEREUQCSA-N 0 3 226.320 0.215 40 0 BCABHN NCC(=O)N1C[C@H](CO)C2(C1)CCCCC2 ZINC000409435108 343836325 /nfs/dbraw/zinc/83/63/25/343836325.db2.gz SIVKSCHRGMGECD-SNVBAGLBSA-N 0 3 226.320 0.346 40 0 BCABHN N=C(COc1ccc2c(c1)CCO2)NO ZINC000409442057 343856779 /nfs/dbraw/zinc/85/67/79/343856779.db2.gz SQAYGYJEDNWZHK-UHFFFAOYSA-N 0 3 208.217 0.956 40 0 BCABHN CCOC[C@H]1CN(C(=O)[C@@H](C)N)CC1(C)C ZINC000409436338 343838640 /nfs/dbraw/zinc/83/86/40/343838640.db2.gz ZKGGZKZHZVGPKL-NXEZZACHSA-N 0 3 228.336 0.855 40 0 BCABHN CCOC[C@@H]1CN(C(=O)[C@H](C)N)CC1(C)C ZINC000409436339 343838757 /nfs/dbraw/zinc/83/87/57/343838757.db2.gz ZKGGZKZHZVGPKL-UWVGGRQHSA-N 0 3 228.336 0.855 40 0 BCABHN CN(C)CCNCC(=O)NCc1ccco1 ZINC000022586140 344102763 /nfs/dbraw/zinc/10/27/63/344102763.db2.gz ZVLSXSIBNUPUSW-UHFFFAOYSA-N 0 3 225.292 0.047 40 0 BCABHN CNCC(=O)N1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000585181404 344278068 /nfs/dbraw/zinc/27/80/68/344278068.db2.gz BVBALXBXPKGYRG-SECBINFHSA-N 0 3 222.292 0.253 40 0 BCABHN Cc1cccc(OC[C@@]2(O)CNCCOC2)c1 ZINC000585269543 344391678 /nfs/dbraw/zinc/39/16/78/344391678.db2.gz YNBRRUZYPLKABN-CYBMUJFWSA-N 0 3 237.299 0.725 40 0 BCABHN Cc1ccc(C[C@@]2(CO)CNCCO2)cc1 ZINC000585278148 344399944 /nfs/dbraw/zinc/39/99/44/344399944.db2.gz ZYAWBZHBYIHHLJ-ZDUSSCGKSA-N 0 3 221.300 0.888 40 0 BCABHN Cc1ccc(C[C@]2(CO)CNCCO2)cc1 ZINC000585278142 344400055 /nfs/dbraw/zinc/40/00/55/344400055.db2.gz ZYAWBZHBYIHHLJ-CYBMUJFWSA-N 0 3 221.300 0.888 40 0 BCABHN Cc1cccc(NC(=O)CN2CC(N)C2)c1 ZINC000082595777 345909920 /nfs/dbraw/zinc/90/99/20/345909920.db2.gz SUKSOVWLEICKAN-UHFFFAOYSA-N 0 3 219.288 0.576 40 0 BCABHN NC1CN(CC(=O)Nc2ccccc2F)C1 ZINC000082595523 345909941 /nfs/dbraw/zinc/90/99/41/345909941.db2.gz DZTOIYFGGCAHEE-UHFFFAOYSA-N 0 3 223.251 0.407 40 0 BCABHN COc1cccc(CC(=O)N2CC(N)C2)c1 ZINC000082590351 345910285 /nfs/dbraw/zinc/91/02/85/345910285.db2.gz WZPMAFUNTOZESQ-UHFFFAOYSA-N 0 3 220.272 0.407 40 0 BCABHN CC(C)N(C(=O)CN1CC(N)C1)C(C)C ZINC000083635785 345919660 /nfs/dbraw/zinc/91/96/60/345919660.db2.gz XJKKPFDIYFFSJL-UHFFFAOYSA-N 0 3 213.325 0.275 40 0 BCABHN NC1CN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000086763192 345938086 /nfs/dbraw/zinc/93/80/86/345938086.db2.gz PRIMMUSKGLARNI-UHFFFAOYSA-N 0 3 230.189 0.887 40 0 BCABHN CCNc1cc(N2CCNCC2)ncn1 ZINC000087831182 345939841 /nfs/dbraw/zinc/93/98/41/345939841.db2.gz NFJSYGRONAUNLT-UHFFFAOYSA-N 0 3 207.281 0.318 40 0 BCABHN Cc1nc(N)cc(NC[C@H]2CCCO2)n1 ZINC000087808357 345941910 /nfs/dbraw/zinc/94/19/10/345941910.db2.gz VUFVGBDIDCWSOD-MRVPVSSYSA-N 0 3 208.265 0.958 40 0 BCABHN CNc1cc(NCCN(C)C)nc(C)n1 ZINC000087807378 345941956 /nfs/dbraw/zinc/94/19/56/345941956.db2.gz AYKIOTAUFUXWNM-UHFFFAOYSA-N 0 3 209.297 0.800 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](NC2CC2)C1 ZINC000210537517 347102245 /nfs/dbraw/zinc/10/22/45/347102245.db2.gz FLYJWEBTYFZRRY-VHSXEESVSA-N 0 3 242.319 0.719 40 0 BCABHN CCCCCNC(=O)CN1CCNCC1 ZINC000019976690 347331915 /nfs/dbraw/zinc/33/19/15/347331915.db2.gz DGOZINGOVPFLGV-UHFFFAOYSA-N 0 3 213.325 0.198 40 0 BCABHN CC(=O)N1CCN(C(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000079420038 187426943 /nfs/dbraw/zinc/42/69/43/187426943.db2.gz HDMPKMQGLHPQTM-ONGXEEELSA-N 0 3 241.335 0.049 40 0 BCABHN Cc1nc([C@@H]2CCCN2)ncc1C(N)=O ZINC000019686368 180043273 /nfs/dbraw/zinc/04/32/73/180043273.db2.gz XDUNQNPOMSDPJV-QMMMGPOBSA-N 0 3 206.249 0.308 40 0 BCABHN NC(=O)c1cccc([C@H]2CCCN(CCO)C2)n1 ZINC000072356859 187442261 /nfs/dbraw/zinc/44/22/61/187442261.db2.gz BPKGIIOBCUBKFP-JTQLQIEISA-N 0 3 249.314 0.352 40 0 BCABHN O=C([C@@H]1CCCCN1)N1CC(F)(F)C1 ZINC000409422364 350474258 /nfs/dbraw/zinc/47/42/58/350474258.db2.gz CWKFDGFFWGDLBE-ZETCQYMHSA-N 0 3 204.220 0.606 40 0 BCABHN COC(=O)[C@H]1CN(CCOC(C)C)CC[C@@H]1O ZINC000409422279 350474419 /nfs/dbraw/zinc/47/44/19/350474419.db2.gz DNKBNBCGOHSDBG-QWRGUYRKSA-N 0 3 245.319 0.267 40 0 BCABHN CNCC(=O)N1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409436226 350478774 /nfs/dbraw/zinc/47/87/74/350478774.db2.gz YTLQDLMHRSKIDT-ZYHUDNBSSA-N 0 3 226.320 0.217 40 0 BCABHN OCCNC[C@@H]1COc2ccccc2O1 ZINC000060259947 187834251 /nfs/dbraw/zinc/83/42/51/187834251.db2.gz DQCCOFCUEJFOEX-SECBINFHSA-N 0 3 209.245 0.408 40 0 BCABHN CNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257208787 188192964 /nfs/dbraw/zinc/19/29/64/188192964.db2.gz BNPATPMUQDRWCM-UHFFFAOYSA-N 0 3 230.271 0.691 40 0 BCABHN Fc1cccnc1OC[C@H]1CCOC12CNC2 ZINC000247534790 181017442 /nfs/dbraw/zinc/01/74/42/181017442.db2.gz QCCITHZEOBAKNZ-SECBINFHSA-N 0 3 238.262 0.978 40 0 BCABHN Fc1cccnc1OC[C@@H]1CCOC12CNC2 ZINC000247534799 181017530 /nfs/dbraw/zinc/01/75/30/181017530.db2.gz QCCITHZEOBAKNZ-VIFPVBQESA-N 0 3 238.262 0.978 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@H]2C(N)=NN[C@@H]2C1 ZINC000035269918 356464511 /nfs/dbraw/zinc/46/45/11/356464511.db2.gz GCRNGPNGNJSZCC-RNFRBKRXSA-N 0 3 226.280 0.097 40 0 BCABHN Cc1cc(N2CCNCC2)nc(N(C)C)n1 ZINC000084495433 359809578 /nfs/dbraw/zinc/80/95/78/359809578.db2.gz YDMGAIBUWWPBSS-UHFFFAOYSA-N 0 3 221.308 0.261 40 0 BCABHN O=C([C@H]1CCCCN1)N1CCC(CCO)CC1 ZINC000401039101 360425240 /nfs/dbraw/zinc/42/52/40/360425240.db2.gz SQEJOINOPRSZHM-GFCCVEGCSA-N 0 3 240.347 0.750 40 0 BCABHN NCC(=O)N1CCc2c(ncn2C2CC2)C1 ZINC000096511399 181349544 /nfs/dbraw/zinc/34/95/44/181349544.db2.gz PTFGIBRVAGYONU-UHFFFAOYSA-N 0 3 220.276 0.061 40 0 BCABHN NCC(=O)NCc1ccnc(Br)c1 ZINC000079421559 181354334 /nfs/dbraw/zinc/35/43/34/181354334.db2.gz GCBOWRVKAXKJJJ-UHFFFAOYSA-N 0 3 244.092 0.419 40 0 BCABHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(C)CC1 ZINC000011959312 370803431 /nfs/dbraw/zinc/80/34/31/370803431.db2.gz IQHLYENUVUMFMI-ZJUUUORDSA-N 0 3 213.325 0.134 40 0 BCABHN CC(C)(C)CCN1CCO[C@](C)(C(N)=O)C1 ZINC000205679035 368357053 /nfs/dbraw/zinc/35/70/53/368357053.db2.gz DAEXEFXVLOPUSX-LBPRGKRZSA-N 0 3 228.336 0.999 40 0 BCABHN O[C@@H]1CN[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000252499886 370062580 /nfs/dbraw/zinc/06/25/80/370062580.db2.gz SICQIBMMRVDSMK-OIBJUYFYSA-N 0 3 203.245 0.958 40 0 BCABHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000019483713 371152918 /nfs/dbraw/zinc/15/29/18/371152918.db2.gz NIKPPDXTUAZYJI-UTLUCORTSA-N 0 3 214.309 0.655 40 0 BCABHN CCOC(=O)CC(N)CC(=O)OCC ZINC000001702774 170197838 /nfs/dbraw/zinc/19/78/38/170197838.db2.gz BERJDKNLNWRJSZ-UHFFFAOYSA-N 0 3 203.238 0.220 40 0 BCABHN c1c(N2CCNCC2)n[nH]c1-c1ccccn1 ZINC000062669869 183379407 /nfs/dbraw/zinc/37/94/07/183379407.db2.gz MACLUUOSEGXCIM-UHFFFAOYSA-N 0 3 229.287 0.881 40 0 BCABHN c1cnc(OC[C@@H]2CC[C@H]3NCCO[C@@H]32)nc1 ZINC000096082505 183482848 /nfs/dbraw/zinc/48/28/48/183482848.db2.gz IUKIDKVALJOGET-HBNTYKKESA-N 0 3 235.287 0.622 40 0 BCABHN CO[C@]1(C(F)(F)F)CCN(C(=O)[C@H](C)N)C1 ZINC000409435313 383835412 /nfs/dbraw/zinc/83/54/12/383835412.db2.gz UCQCPEAJPRMJPA-POYBYMJQSA-N 0 3 240.225 0.513 40 0 BCABHN CC(C)C[C@@H]1CN(C(=O)CN)CC[C@@H]1O ZINC000409435327 383835478 /nfs/dbraw/zinc/83/54/78/383835478.db2.gz UDKJUQMRIYUWHP-ZJUUUORDSA-N 0 3 214.309 0.201 40 0 BCABHN CO[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)N)C1 ZINC000409435314 383835533 /nfs/dbraw/zinc/83/55/33/383835533.db2.gz UCQCPEAJPRMJPA-SVRRBLITSA-N 0 3 240.225 0.513 40 0 BCABHN CNCC(=O)N(C1CC1)C1CCOCC1 ZINC000409434134 383830320 /nfs/dbraw/zinc/83/03/20/383830320.db2.gz OETAVNASBJJJFD-UHFFFAOYSA-N 0 3 212.293 0.376 40 0 BCABHN CN[C@@H](CO)c1ccc(OC)c(OC)c1 ZINC000038121259 384073797 /nfs/dbraw/zinc/07/37/97/384073797.db2.gz KJDSGOHHUKXYOI-VIFPVBQESA-N 0 3 211.261 0.957 40 0 BCABHN CCN(CCO)C[C@@H]1CCCN1C(C)=O ZINC000079405330 384133398 /nfs/dbraw/zinc/13/33/98/384133398.db2.gz ODHACJVWSDKCHO-NSHDSACASA-N 0 3 214.309 0.312 40 0 BCABHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415157 384136566 /nfs/dbraw/zinc/13/65/66/384136566.db2.gz MRKSBRCQDFPUEY-ZDUSSCGKSA-N 0 3 247.342 0.678 40 0 BCABHN CC(=O)N1CCC[C@@H]1CN(CCO)C1CC1 ZINC000079405463 384133067 /nfs/dbraw/zinc/13/30/67/384133067.db2.gz USHOFHQECCKRLF-GFCCVEGCSA-N 0 3 226.320 0.454 40 0 BCABHN C[C@H](N)C(=O)N([C@@H](C)c1cnccn1)C1CC1 ZINC000079435813 384146673 /nfs/dbraw/zinc/14/66/73/384146673.db2.gz FQTNOJRFLSCMTJ-IUCAKERBSA-N 0 3 234.303 0.876 40 0 BCABHN CSc1nccnc1CN(C)C(=O)CN ZINC000079435483 384146747 /nfs/dbraw/zinc/14/67/47/384146747.db2.gz QDGQTEFUTDJQEE-UHFFFAOYSA-N 0 3 226.305 0.116 40 0 BCABHN CC(C)[C@H](N)C(=O)NCc1nccnc1Cl ZINC000079435779 384146810 /nfs/dbraw/zinc/14/68/10/384146810.db2.gz DGKWXXAHXQGEQI-QMMMGPOBSA-N 0 3 242.710 0.730 40 0 BCABHN CN(Cc1cnc(Cl)s1)C(=O)CN ZINC000079422091 384146834 /nfs/dbraw/zinc/14/68/34/384146834.db2.gz VKJXSQTZJKKOGJ-UHFFFAOYSA-N 0 3 219.697 0.714 40 0 BCABHN C[C@H](N)C(=O)NCc1nccnc1Cl ZINC000079435767 384146887 /nfs/dbraw/zinc/14/68/87/384146887.db2.gz MEWHYBHBYHVGJO-YFKPBYRVSA-N 0 3 214.656 0.093 40 0 BCABHN C[C@H](N)C(=O)NCc1cnc(Cl)s1 ZINC000079422107 384146890 /nfs/dbraw/zinc/14/68/90/384146890.db2.gz DCBUZDVCDWYUFO-BYPYZUCNSA-N 0 3 219.697 0.760 40 0 BCABHN CC(=O)N(C)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079417578 384139147 /nfs/dbraw/zinc/13/91/47/384139147.db2.gz LQXLOSQGZNPURW-ONGXEEELSA-N 0 3 241.335 0.051 40 0 BCABHN CC(=O)N(C(C)C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079417684 384139590 /nfs/dbraw/zinc/13/95/90/384139590.db2.gz HSOAAQIFDRMDCT-GXSJLCMTSA-N 0 3 241.335 0.191 40 0 BCABHN CC[C@@H](N)Cn1nnn(-c2ccccc2)c1=O ZINC000006747053 384167393 /nfs/dbraw/zinc/16/73/93/384167393.db2.gz DHTTXCVWSJHVKU-SECBINFHSA-N 0 3 233.275 0.166 40 0 BCABHN Cc1cn[nH]c1[C@H]1CCCN1CC(=O)N(C)C ZINC000072357208 384210388 /nfs/dbraw/zinc/21/03/88/384210388.db2.gz RMHLCZYYLPGCFC-SNVBAGLBSA-N 0 3 236.319 0.943 40 0 BCABHN c1cc(N2CCNCC2)nc(C2CC2)n1 ZINC000095757359 384391989 /nfs/dbraw/zinc/39/19/89/384391989.db2.gz NRKCRROKAPZYQG-UHFFFAOYSA-N 0 3 204.277 0.764 40 0 BCABHN CC(C)(C)OC(=O)N1C[C@@H]2ON=C(CN)[C@@H]2C1 ZINC000095743432 384392327 /nfs/dbraw/zinc/39/23/27/384392327.db2.gz NGEGZOIWPHWOJW-CBAPKCEASA-N 0 3 241.291 0.567 40 0 BCABHN FC(F)(F)c1ccnc([C@H]2CNCCN2)n1 ZINC000082046877 384645562 /nfs/dbraw/zinc/64/55/62/384645562.db2.gz AEIRRERMVZXZCD-ZCFIWIBFSA-N 0 3 232.209 0.729 40 0 BCABHN CNCC(=O)N1CCC[C@@H](COC)C1 ZINC000083887797 384754523 /nfs/dbraw/zinc/75/45/23/384754523.db2.gz ORNIYUQLZCBQPV-SECBINFHSA-N 0 3 200.282 0.091 40 0 BCABHN CC1(C)C(=O)[C@]2(C(=O)NCCN)CC[C@H]1C2 ZINC000085385556 385154091 /nfs/dbraw/zinc/15/40/91/385154091.db2.gz FAOLTWMUERMSPY-UFBFGSQYSA-N 0 3 224.304 0.457 40 0 BCABHN c1nc(N2CCSCC2)nc2c1CNCC2 ZINC000096517158 385255972 /nfs/dbraw/zinc/25/59/72/385255972.db2.gz ZHRSPBIDAFMLSG-UHFFFAOYSA-N 0 3 236.344 0.676 40 0 BCABHN O=C(c1[nH]nc2c1CNC2)N1CCSCC1 ZINC000096516098 385259354 /nfs/dbraw/zinc/25/93/54/385259354.db2.gz HAEVEVIILMTFNK-UHFFFAOYSA-N 0 3 238.316 0.202 40 0 BCABHN Cn1c(N2CCC[C@H](N)C2)nc2c(c1=O)CCC2 ZINC000096516821 385261163 /nfs/dbraw/zinc/26/11/63/385261163.db2.gz MCJJFNUCZZJOJK-VIFPVBQESA-N 0 3 248.330 0.197 40 0 BCABHN CCS(=O)(=O)[C@@]1(CN)C[C@@H](COC)C[C@@H]1C ZINC000096532334 385283374 /nfs/dbraw/zinc/28/33/74/385283374.db2.gz DHXKYOXVOHXQKP-GARJFASQSA-N 0 3 249.376 0.811 40 0 BCABHN CS(=O)(=O)C[C@@H](CN)c1ccco1 ZINC000096532854 385285138 /nfs/dbraw/zinc/28/51/38/385285138.db2.gz YWJUGBIYTZCSGN-SSDOTTSWSA-N 0 3 203.263 0.367 40 0 BCABHN C[C@@H](N)C(=O)N1CCn2c(Cl)cnc2C1 ZINC000409428934 385328467 /nfs/dbraw/zinc/32/84/67/385328467.db2.gz HAFMAPBPDQPWEB-ZCFIWIBFSA-N 0 3 228.683 0.226 40 0 BCABHN C=Cc1cc(N2CCNCC2)nc(C)n1 ZINC000409430925 385328482 /nfs/dbraw/zinc/32/84/82/385328482.db2.gz ODWVBKSKNVHAPH-UHFFFAOYSA-N 0 3 204.277 0.838 40 0 BCABHN O=c1c2c(cnn1CC1CC1)CCNC2 ZINC000095098029 385484201 /nfs/dbraw/zinc/48/42/01/385484201.db2.gz QXGNPGVQTBGGNA-UHFFFAOYSA-N 0 3 205.261 0.299 40 0 BCABHN CN(C)CCNc1ncnc(Cl)c1N ZINC000038579968 385669959 /nfs/dbraw/zinc/66/99/59/385669959.db2.gz CCFMTYQKUXIFCI-UHFFFAOYSA-N 0 3 215.688 0.686 40 0 BCABHN CN(C)[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1O ZINC000257338750 385764111 /nfs/dbraw/zinc/76/41/11/385764111.db2.gz YYVJALLKFSJSQF-VXGBXAGGSA-N 0 3 240.347 0.700 40 0 BCABHN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC000095932925 385890446 /nfs/dbraw/zinc/89/04/46/385890446.db2.gz MOKVJORVJPSZHK-SFYZADRCSA-N 0 3 244.291 0.354 40 0 BCABHN c1cncc(O[C@H]2CC[C@@H]3NCCO[C@H]32)c1 ZINC000306138986 385991375 /nfs/dbraw/zinc/99/13/75/385991375.db2.gz SMKXHPBQNHDLGQ-SDDRHHMPSA-N 0 3 220.272 0.980 40 0 BCABHN O=C([C@H]1CNCc2ccnn2C1)N1CCCC1 ZINC000306135968 385992446 /nfs/dbraw/zinc/99/24/46/385992446.db2.gz PFFIJQAAQFFWMI-JTQLQIEISA-N 0 3 234.303 0.225 40 0 BCABHN O=C([C@H]1CNC[C@H]2OCC[C@H]21)N1CCCCO1 ZINC000306133369 385993125 /nfs/dbraw/zinc/99/31/25/385993125.db2.gz MJTFNKRNRPSKQA-GARJFASQSA-N 0 3 240.303 0.165 40 0 BCABHN CN(C)CCNC(=S)Nc1ccncc1 ZINC000225404657 386190917 /nfs/dbraw/zinc/19/09/17/386190917.db2.gz BYMDOYDMUYVABY-UHFFFAOYSA-N 0 3 224.333 0.930 40 0 BCABHN NC[C@H](c1ccc2c(c1)CCO2)N1CCOCC1 ZINC000037363618 386229900 /nfs/dbraw/zinc/22/99/00/386229900.db2.gz QGOSJHBZCKCFCV-CYBMUJFWSA-N 0 3 248.326 0.954 40 0 BCABHN NC[C@H](O)c1ccc(Br)cn1 ZINC000083300754 386664107 /nfs/dbraw/zinc/66/41/07/386664107.db2.gz IUTDFFXYYPAZIG-ZETCQYMHSA-N 0 3 217.066 0.836 40 0 BCABHN CC(C)C[C@@H](N)C(=O)N1CCN(C)CC1 ZINC000019478958 386828306 /nfs/dbraw/zinc/82/83/06/386828306.db2.gz OJWCRXQKAMYNEF-SNVBAGLBSA-N 0 3 213.325 0.134 40 0 BCABHN c1cn(C[C@@H]2CC[C@@H]3NCCO[C@H]23)cn1 ZINC000096250344 387026680 /nfs/dbraw/zinc/02/66/80/387026680.db2.gz AIMYDOCETLBOBD-GARJFASQSA-N 0 3 207.277 0.650 40 0 BCABHN CC(C)(C)OC(=O)N1CC[C@H]2NCCO[C@@H]2C1 ZINC000096987263 387850965 /nfs/dbraw/zinc/85/09/65/387850965.db2.gz COJUSTWUQICURS-NXEZZACHSA-N 0 3 242.319 0.984 40 0 BCABHN CNC(=O)[C@@H]1CCCN1[C@H](CN)C(F)(F)F ZINC000242701675 388400666 /nfs/dbraw/zinc/40/06/66/388400666.db2.gz WJAGDIMZVAYYHJ-NKWVEPMBSA-N 0 3 239.241 0.086 40 0 BCABHN NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC000306144239 388629064 /nfs/dbraw/zinc/62/90/64/388629064.db2.gz ZAGFSHXIRFVVHQ-LBPRGKRZSA-N 0 3 244.298 0.899 40 0 BCABHN NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000001561684 132314281 /nfs/dbraw/zinc/31/42/81/132314281.db2.gz UFMXBLJVJYGSAN-UHFFFAOYSA-N 0 3 233.315 0.684 40 0 BCABHN CC(C)NCc1cnc(N2CCOCC2)nc1 ZINC000048326642 132355171 /nfs/dbraw/zinc/35/51/71/132355171.db2.gz SHLRHYGLMKYDKR-UHFFFAOYSA-N 0 3 236.319 0.811 40 0 BCABHN CCN(CC)c1ccc(N2CCNCC2)nn1 ZINC000049453231 132355874 /nfs/dbraw/zinc/35/58/74/132355874.db2.gz UDJCOVKWCYNJLJ-UHFFFAOYSA-N 0 3 235.335 0.732 40 0 BCABHN C[C@@H]1CNCCN1c1ccnc(Cl)n1 ZINC000072203444 132396351 /nfs/dbraw/zinc/39/63/51/132396351.db2.gz OUBNTDTXGFVJCK-SSDOTTSWSA-N 0 3 212.684 0.928 40 0 BCABHN CNCc1nc2cccnc2n1CCOC ZINC000409423494 398085326 /nfs/dbraw/zinc/08/53/26/398085326.db2.gz RUVMIYRLQIEUHR-UHFFFAOYSA-N 0 3 220.276 0.797 40 0 BCABHN CC(C)NC(=O)[C@H]1C[C@H]2NCCO[C@@H]2C1 ZINC000299850783 167084450 /nfs/dbraw/zinc/08/44/50/167084450.db2.gz OHGCJSVBUHZYEE-IVZWLZJFSA-N 0 3 212.293 0.278 40 0 BCABHN CC1=CC[C@@H]2C(=O)N(CCN(C)C)C(=O)[C@H]2C1 ZINC000104388107 168119759 /nfs/dbraw/zinc/11/97/59/168119759.db2.gz SWNTWUKNTCTSEN-QWRGUYRKSA-N 0 3 236.315 0.889 40 0 BCABHN CCN1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252959 170041128 /nfs/dbraw/zinc/04/11/28/170041128.db2.gz BKHLUABHLIMRDA-GRYCIOLGSA-N 0 3 240.347 0.868 40 0 BCABHN CCNc1nc(NCC)nc(NCCO)n1 ZINC000004976925 170177439 /nfs/dbraw/zinc/17/74/39/170177439.db2.gz PWMAUNCPDJKPMM-UHFFFAOYSA-N 0 3 226.284 0.139 40 0 BCABHN CCOC(=O)[C@]1(CN)CC[C@@H](S(C)(=O)=O)C1 ZINC000217936021 170286234 /nfs/dbraw/zinc/28/62/34/170286234.db2.gz OJHUGMCOKXBAJZ-PSASIEDQSA-N 0 3 249.332 0.092 40 0 BCABHN CCOC(=O)c1cnn(CCN(C)C)c1 ZINC000143688672 170304184 /nfs/dbraw/zinc/30/41/84/170304184.db2.gz XBQBKZRAQHWVJW-UHFFFAOYSA-N 0 3 211.265 0.621 40 0 BCABHN CCOC(CN[C@@H](C)CC(=O)OC)OCC ZINC000047219190 170315780 /nfs/dbraw/zinc/31/57/80/170315780.db2.gz YMTHNALRXLCTJK-VIFPVBQESA-N 0 3 233.308 0.927 40 0 BCABHN CC[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000040457785 170745299 /nfs/dbraw/zinc/74/52/99/170745299.db2.gz KWXGXWXKTAJIFI-SFYZADRCSA-N 0 3 204.339 0.982 40 0 BCABHN CCn1c(=O)c2c(nc1C1CC1)CCNC2 ZINC000084249221 172142303 /nfs/dbraw/zinc/14/23/03/172142303.db2.gz WNRLLJWTACKGLD-UHFFFAOYSA-N 0 3 219.288 0.786 40 0 BCABHN CN(C(=O)CN)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404135 172307757 /nfs/dbraw/zinc/30/77/57/172307757.db2.gz XVLIVSKTCGLTFP-ZDUSSCGKSA-N 0 3 247.342 0.678 40 0 BCABHN CN(C)C(=O)[C@@H]1CCCN(C[C@@H]2CO2)C1 ZINC000095097808 172383303 /nfs/dbraw/zinc/38/33/03/172383303.db2.gz LTOJWAYLLJYTGZ-NXEZZACHSA-N 0 3 212.293 0.185 40 0 BCABHN CN(C)C(=O)[C@H]1CCN(Cc2ccncc2)C1 ZINC000072379445 172386056 /nfs/dbraw/zinc/38/60/56/172386056.db2.gz ANMCCFCXMRZTKZ-LBPRGKRZSA-N 0 3 233.315 0.992 40 0 BCABHN CN(C)C(=O)c1cccc([C@H]2CNCCN2C)c1 ZINC000072366070 172392306 /nfs/dbraw/zinc/39/23/06/172392306.db2.gz MOSHJZGJZGRTSH-CYBMUJFWSA-N 0 3 247.342 0.965 40 0 BCABHN Cn1nc([C@H]2CCCN(C)C2)cc1CCO ZINC000072382175 173047549 /nfs/dbraw/zinc/04/75/49/173047549.db2.gz YEGITIBOSYHBHD-JTQLQIEISA-N 0 3 223.320 0.764 40 0 BCABHN CN1CCN[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000218698106 173097766 /nfs/dbraw/zinc/09/77/66/173097766.db2.gz FLDYGUQYUAEDOJ-UONOGXRCSA-N 0 3 231.343 0.774 40 0 BCABHN CN1C[C@H]2CN(C3CCOCC3)CCN2C1=O ZINC000077266755 173197959 /nfs/dbraw/zinc/19/79/59/173197959.db2.gz GXPUFYQOVREDFK-NSHDSACASA-N 0 3 239.319 0.217 40 0 biogenic,in-vitro BCABHN CN1c2cccnc2CNCC[C@H]1CO ZINC000225496837 173208943 /nfs/dbraw/zinc/20/89/43/173208943.db2.gz YNJXETXLPYKPDJ-VIFPVBQESA-N 0 3 207.277 0.372 40 0 biogenic,in-vitro BCABHN CNCC(=O)Nc1ccc(OC)cc1OC ZINC000019519584 173334258 /nfs/dbraw/zinc/33/42/58/173334258.db2.gz NURFQPGJXPMUGR-UHFFFAOYSA-N 0 3 224.260 0.862 40 0 BCABHN COC[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000211675990 174501847 /nfs/dbraw/zinc/50/18/47/174501847.db2.gz SAKAPPNOEJPHOC-RKDXNWHRSA-N 0 3 200.282 0.219 40 0 BCABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccncc1 ZINC000072397647 176324522 /nfs/dbraw/zinc/32/45/22/176324522.db2.gz ZVBFTPDSRCSROH-KWCYVHTRSA-N 0 3 247.342 0.721 40 0 BCABHN C[C@H]1CN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000037395115 177217131 /nfs/dbraw/zinc/21/71/31/177217131.db2.gz LIFTYMUAXDUXDF-IUCAKERBSA-N 0 3 212.293 0.374 40 0 BCABHN CN1CC[C@@H](O)[C@@H](Cc2cccnc2)C1 ZINC000169975262 487793981 /nfs/dbraw/zinc/79/39/81/487793981.db2.gz NTKKSPNSFJHPJY-NWDGAFQWSA-N 0 3 206.289 0.937 40 0 BCABHN CCN1C(=O)C[C@@H](N)[C@@H]1c1cccnc1 ZINC000062209182 323090900 /nfs/dbraw/zinc/09/09/00/323090900.db2.gz BNMDHNOQLYQAMN-KOLCDFICSA-N 0 3 205.261 0.702 40 0 BCABHN CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000252517700 520132771 /nfs/dbraw/zinc/13/27/71/520132771.db2.gz OYFQFQLEDRBCEL-XYPYZODXSA-N 0 3 241.335 0.241 40 0 BCABHN COc1ccc(C2(N)COC2)cc1OC ZINC000084388296 523868376 /nfs/dbraw/zinc/86/83/76/523868376.db2.gz FELZJUTVLRNDSD-UHFFFAOYSA-N 0 3 209.245 0.888 40 0 BCABHN O=C1CCCN1CC[C@@H]1CCOC12CNC2 ZINC000253616724 526975238 /nfs/dbraw/zinc/97/52/38/526975238.db2.gz AYVRFKHTQQDJDV-SNVBAGLBSA-N 0 3 224.304 0.377 40 0 BCABHN