smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN(C(=O)CN)[C@H](CC)c1ccccc1 ZINC000159781606 345529906 /nfs/dbraw/zinc/52/99/06/345529906.db2.gz DDIYUENCWGGJHZ-CQSZACIVSA-N 0 3 248.370 2.725 20 70 BFIDHN Cc1cccc([C@H]2CCCN2CCOC(C)C)n1 ZINC000160036214 345788954 /nfs/dbraw/zinc/78/89/54/345788954.db2.gz LWSLLRKANSEDER-OAHLLOKOSA-N 0 3 248.370 2.952 20 70 BFIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1ccco1 ZINC000161193392 346479294 /nfs/dbraw/zinc/47/92/94/346479294.db2.gz OAHJNZUTBCBVOP-QWHCGFSZSA-N 0 3 236.359 2.805 20 70 BFIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1ccco1 ZINC000161193529 346479792 /nfs/dbraw/zinc/47/97/92/346479792.db2.gz OAHJNZUTBCBVOP-STQMWFEESA-N 0 3 236.359 2.805 20 70 BFIDHN CCC(CC)CN1CCN2CCCC[C@@H]2C1 ZINC000161045163 349366460 /nfs/dbraw/zinc/36/64/60/349366460.db2.gz NDWKUAMACYIHPC-CQSZACIVSA-N 0 3 224.392 2.593 20 70 BFIDHN CCOCCCN1CCC[C@H]1c1cccc(C)n1 ZINC000160400075 538884641 /nfs/dbraw/zinc/88/46/41/538884641.db2.gz ALAAZQXMSPAQDD-HNNXBMFYSA-N 0 3 248.370 2.954 20 70 BFIDHN CCn1nccc1CNCc1ccc(C)cc1C ZINC000160041219 541495346 /nfs/dbraw/zinc/49/53/46/541495346.db2.gz BDCBAQWFRZUCCE-UHFFFAOYSA-N 0 3 243.354 2.810 20 70 BFIDHN c1cc(SCCN2CCCCC2)ccn1 ZINC000159886178 183359938 /nfs/dbraw/zinc/35/99/38/183359938.db2.gz DSUPZHHBNZKLCN-UHFFFAOYSA-N 0 3 222.357 2.660 20 70 BFIDHN Cc1ccoc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159632898 384345477 /nfs/dbraw/zinc/34/54/77/384345477.db2.gz UUSVIAGJGHRCBK-UBHSHLNASA-N 0 3 247.338 2.635 20 70 BFIDHN Cc1cnccc1CNCc1ccsc1 ZINC000160596171 384421800 /nfs/dbraw/zinc/42/18/00/384421800.db2.gz ZYIKKSBRTTYDMF-UHFFFAOYSA-N 0 3 218.325 2.741 20 70 BFIDHN CCCC[C@@H](C(=O)OC)N(CC)CCCC ZINC000161011392 384676855 /nfs/dbraw/zinc/67/68/55/384676855.db2.gz HZXCBSHSBRYROB-LBPRGKRZSA-N 0 3 229.364 2.840 20 70 BFIDHN CCCC[C@@H](C(=O)OC)N(CC)CC(C)C ZINC000161012142 384735621 /nfs/dbraw/zinc/73/56/21/384735621.db2.gz DBZQFYDYFOBHPA-LBPRGKRZSA-N 0 3 229.364 2.696 20 70 BFIDHN CC[C@H](N)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000161309125 387186705 /nfs/dbraw/zinc/18/67/05/387186705.db2.gz YOYXOWCPPBVCEY-OCCSQVGLSA-N 0 3 248.370 2.560 20 70 BFIDHN C[C@@H](O)C(C)(C)NCc1ccccc1Cl ZINC000160598095 175945194 /nfs/dbraw/zinc/94/51/94/175945194.db2.gz FFLWBFKEKVMDDE-SECBINFHSA-N 0 3 227.735 2.589 20 70 BFIDHN CC[C@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160339552 323065059 /nfs/dbraw/zinc/06/50/59/323065059.db2.gz CWLLULOAVAOBLU-LBPRGKRZSA-N 0 3 231.343 2.812 20 70 BFIDHN Cc1nc2ccccn2c1CN1CCC[C@H]1C ZINC000160892367 323137884 /nfs/dbraw/zinc/13/78/84/323137884.db2.gz CJMLSUJHEPYCTL-LLVKDONJSA-N 0 3 229.327 2.627 20 70 BFIDHN C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161163219 323149591 /nfs/dbraw/zinc/14/95/91/323149591.db2.gz IIPMNKRPYJTCBT-SFYZADRCSA-N 0 3 231.698 2.511 20 70 BFIDHN C[C@@H](CC1CC1)N[C@@H](C)c1cscn1 ZINC000161196841 343204665 /nfs/dbraw/zinc/20/46/65/343204665.db2.gz IMQVHKKXSXVFBV-IUCAKERBSA-N 0 3 210.346 2.982 20 70 BFIDHN C[C@@H](N[C@@H](C)CC1CC1)c1cscn1 ZINC000161197093 343204737 /nfs/dbraw/zinc/20/47/37/343204737.db2.gz IMQVHKKXSXVFBV-DTWKUNHWSA-N 0 3 210.346 2.982 20 70 BFIDHN Cc1cccc([C@@H]2CCCN2CCCF)n1 ZINC000159718474 345503925 /nfs/dbraw/zinc/50/39/25/345503925.db2.gz FKBNLECNPSAOKJ-ZDUSSCGKSA-N 0 3 222.307 2.887 20 70 BFIDHN CC[C@H](N)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000159757067 384353722 /nfs/dbraw/zinc/35/37/22/384353722.db2.gz JSFKLWMYWUVDOA-UONOGXRCSA-N 0 3 248.370 2.579 20 70 BFIDHN CCOCCCN(C)[C@H](C)c1ccco1 ZINC000159761439 388029684 /nfs/dbraw/zinc/02/96/84/388029684.db2.gz GAODXBLKCRWJAC-LLVKDONJSA-N 0 3 211.305 2.699 20 70 BFIDHN CCCC[C@@H](C(=O)OC)N1CCCCCC1 ZINC000160796292 388091394 /nfs/dbraw/zinc/09/13/94/388091394.db2.gz AECDIKDNKUXOEQ-LBPRGKRZSA-N 0 3 227.348 2.594 20 70 BFIDHN CC(C)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159444434 397947030 /nfs/dbraw/zinc/94/70/30/397947030.db2.gz KYICORGTRQDQEL-MRXNPFEDSA-N 0 3 245.366 2.816 20 70 BFIDHN CCN(CC)Cc1cncn1Cc1ccccc1 ZINC000218008544 398099323 /nfs/dbraw/zinc/09/93/23/398099323.db2.gz JIHAPMTWEVSYEW-UHFFFAOYSA-N 0 3 243.354 2.773 20 70 BFIDHN CC[C@H](NCCC(C)(C)O)c1nc(C)cs1 ZINC000159662278 171517993 /nfs/dbraw/zinc/51/79/93/171517993.db2.gz MZOUAOGSPKZPSS-JTQLQIEISA-N 0 3 242.388 2.653 20 70 BFIDHN C[C@H]1C[NH+](Cc2cc([O-])cc(F)c2)C[C@@H]1C ZINC000159847013 177260473 /nfs/dbraw/zinc/26/04/73/177260473.db2.gz JYHXBZAXRAVEFG-UWVGGRQHSA-N 0 3 223.291 2.619 20 70 BFIDHN CC(C)N(Cc1cc[nH]n1)C1CCCCC1 ZINC000159772958 323047494 /nfs/dbraw/zinc/04/74/94/323047494.db2.gz HLHZEKRHANOYJE-UHFFFAOYSA-N 0 3 221.348 2.953 20 70 BFIDHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000159768009 488086050 /nfs/dbraw/zinc/08/60/50/488086050.db2.gz SRQZPEMSWRQNDV-NWDGAFQWSA-N 0 3 242.407 2.691 20 70 BFIDHN CC[C@H](C)NCc1cccc(OC)c1F ZINC000160459175 488135081 /nfs/dbraw/zinc/13/50/81/488135081.db2.gz BJBACUGRYIGVSS-VIFPVBQESA-N 0 3 211.280 2.722 20 70 BFIDHN CCCN(Cc1ccc(C)cn1)C1CC1 ZINC000159836265 323050413 /nfs/dbraw/zinc/05/04/13/323050413.db2.gz RIBUMTWTNLJJFI-UHFFFAOYSA-N 0 3 204.317 2.764 20 70 BFIDHN CC[C@H](N)C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000160072260 323059687 /nfs/dbraw/zinc/05/96/87/323059687.db2.gz OSYOVFYMDSLGJT-NWDGAFQWSA-N 0 3 242.407 2.691 20 70 BFIDHN CCCCNC(=O)[C@@H](C)N(CC)C[C@@H](C)CC ZINC000160548029 323070426 /nfs/dbraw/zinc/07/04/26/323070426.db2.gz BTBMLECFSSNPBQ-QWHCGFSZSA-N 0 3 242.407 2.659 20 70 BFIDHN CCCCN(C(=O)CN)[C@@H](CC)c1ccccc1 ZINC000159781448 345529469 /nfs/dbraw/zinc/52/94/69/345529469.db2.gz DDIYUENCWGGJHZ-AWEZNQCLSA-N 0 3 248.370 2.725 20 70 BFIDHN CCN(Cc1cnc2ccccn12)CC1CC1 ZINC000160390624 347907836 /nfs/dbraw/zinc/90/78/36/347907836.db2.gz RKEYLZDEVCIUNK-UHFFFAOYSA-N 0 3 229.327 2.566 20 70 BFIDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)N ZINC000159692519 179323539 /nfs/dbraw/zinc/32/35/39/179323539.db2.gz BCEPWEUUEMNWMX-TZMCWYRMSA-N 0 3 248.370 2.546 20 70 BFIDHN C[C@@H]1CC[C@H](C)N(Cc2cnc3ccccn23)C1 ZINC000160897824 349336432 /nfs/dbraw/zinc/33/64/32/349336432.db2.gz JSMXIRBUIPCZEH-OLZOCXBDSA-N 0 3 243.354 2.955 20 70 BFIDHN CC[C@@H](C)[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816017 361290952 /nfs/dbraw/zinc/29/09/52/361290952.db2.gz KUGAWQJOFDATMD-SECBINFHSA-N 0 3 211.280 2.762 20 70 BFIDHN CC[C@@H](C)[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816017 361290953 /nfs/dbraw/zinc/29/09/53/361290953.db2.gz KUGAWQJOFDATMD-SECBINFHSA-N 0 3 211.280 2.762 20 70 BFIDHN CC[C@@H](C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159600363 361260377 /nfs/dbraw/zinc/26/03/77/361260377.db2.gz DQOJBKHCVGOOEB-SECBINFHSA-N 0 3 211.280 2.667 20 70 BFIDHN CCCNCc1cnc(C(F)(F)F)s1 ZINC000159600360 361260843 /nfs/dbraw/zinc/26/08/43/361260843.db2.gz KREZUFOVPWOXTD-UHFFFAOYSA-N 0 3 224.251 2.662 20 70 BFIDHN Cc1cccc([C@@H]2CCCN2C[C@@H]2CCCO2)n1 ZINC000160294894 384648520 /nfs/dbraw/zinc/64/85/20/384648520.db2.gz YREBPXWKIFAYKY-ZFWWWQNUSA-N 0 3 246.354 2.706 20 70 BFIDHN C[C@@H](NCC1CCCC1)c1cscn1 ZINC000161167004 384864367 /nfs/dbraw/zinc/86/43/67/384864367.db2.gz GIUOCGBRXFKNDU-SECBINFHSA-N 0 3 210.346 2.984 20 70 BFIDHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000161432593 385047364 /nfs/dbraw/zinc/04/73/64/385047364.db2.gz OIEIOORDJOGTCP-GUBZILKMSA-N 0 3 208.280 2.527 20 70 BFIDHN CCN(Cc1c(C)nc2ccccn21)CC1CC1 ZINC000160390777 385585040 /nfs/dbraw/zinc/58/50/40/385585040.db2.gz LBMJGBWHRKGMBU-UHFFFAOYSA-N 0 3 243.354 2.875 20 70 BFIDHN COc1c(C)cnc(CN2CCC[C@@H](C)C2)c1C ZINC000160964418 388106536 /nfs/dbraw/zinc/10/65/36/388106536.db2.gz QXUBFLBUNXKLFW-LLVKDONJSA-N 0 3 248.370 2.939 20 70 BFIDHN COc1c(C)cnc(CN2CCC[C@H](C)C2)c1C ZINC000160964312 388107184 /nfs/dbraw/zinc/10/71/84/388107184.db2.gz QXUBFLBUNXKLFW-NSHDSACASA-N 0 3 248.370 2.939 20 70 BFIDHN CC1([NH2+]Cc2cc([O-])cc(F)c2)CCC1 ZINC000159621112 168063063 /nfs/dbraw/zinc/06/30/63/168063063.db2.gz ZSWMZFMAGWCYQP-UHFFFAOYSA-N 0 3 209.264 2.564 20 70 BFIDHN COCCC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000159378173 174156290 /nfs/dbraw/zinc/15/62/90/174156290.db2.gz WEBKWQVWNABKDJ-ZDUSSCGKSA-N 0 3 248.370 2.939 20 70 BFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(C)C(C)C ZINC000160550422 323070759 /nfs/dbraw/zinc/07/07/59/323070759.db2.gz VYNADIKSXPULDU-STQMWFEESA-N 0 3 242.407 2.610 20 70 BFIDHN Cc1cc(CN[C@@]2(C)CCOC2)c(C)s1 ZINC000160188099 178036652 /nfs/dbraw/zinc/03/66/52/178036652.db2.gz OTXFAZXCSRVHMS-LBPRGKRZSA-N 0 3 225.357 2.634 20 70 BFIDHN Cc1nc2ccccn2c1CN1CCC(C)(C)C1 ZINC000160869940 349334024 /nfs/dbraw/zinc/33/40/24/349334024.db2.gz GGJDIJSZLJKADS-UHFFFAOYSA-N 0 3 243.354 2.875 20 70 BFIDHN CC(C)(C)CCCN1CCN(C2CCC2)CC1 ZINC000218469667 350094472 /nfs/dbraw/zinc/09/44/72/350094472.db2.gz PCQQCRDBZVMRDN-UHFFFAOYSA-N 0 3 238.419 2.983 20 70 BFIDHN C[C@H](O)CN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159535644 384338211 /nfs/dbraw/zinc/33/82/11/384338211.db2.gz CESSEOWOLYOLQS-IUCAKERBSA-N 0 3 245.725 2.853 20 70 BFIDHN Cc1ccccc1CN(C)CC1=CCCOC1 ZINC000160526591 384417359 /nfs/dbraw/zinc/41/73/59/384417359.db2.gz XIVQJNICYIMLPG-UHFFFAOYSA-N 0 3 231.339 2.774 20 70 BFIDHN C[C@@H](NC(C1CC1)C1CC1)c1cscn1 ZINC000161173631 384885063 /nfs/dbraw/zinc/88/50/63/384885063.db2.gz HIHIHLWNSZJUSC-MRVPVSSYSA-N 0 3 222.357 2.982 20 70 BFIDHN CCc1ncc(CNC2(C)CCC2)s1 ZINC000160005966 172018942 /nfs/dbraw/zinc/01/89/42/172018942.db2.gz LNSFLNJXMUBIGC-UHFFFAOYSA-N 0 3 210.346 2.738 20 70 BFIDHN CC[C@H](c1ccc(F)cc1F)N(C)C[C@@H](C)O ZINC000159371225 345428647 /nfs/dbraw/zinc/42/86/47/345428647.db2.gz BTLIFPGDHOOHMF-NOZJJQNGSA-N 0 3 243.297 2.729 20 70 BFIDHN Cc1ccc2c(c1)OCCC[C@@H]2NCC(C)(C)O ZINC000160603362 178948201 /nfs/dbraw/zinc/94/82/01/178948201.db2.gz XKZYTHJMIFYGDF-ZDUSSCGKSA-N 0 3 249.354 2.569 20 70 BFIDHN CC[C@H](NC1CCC1)c1ccc(F)cn1 ZINC000161332295 346169085 /nfs/dbraw/zinc/16/90/85/346169085.db2.gz ZHDMXKQCSYKBDF-NSHDSACASA-N 0 3 208.280 2.814 20 70 BFIDHN CCSCCN(CC)Cc1ccoc1 ZINC000160247589 355692204 /nfs/dbraw/zinc/69/22/04/355692204.db2.gz XPGLGRDKDSZRBZ-UHFFFAOYSA-N 0 3 213.346 2.855 20 70 BFIDHN CCCCN(C(=O)[C@@H](C)N)[C@@H](C)c1ccccc1 ZINC000161355819 384483731 /nfs/dbraw/zinc/48/37/31/384483731.db2.gz QVRQNVYWVFNQNJ-OLZOCXBDSA-N 0 3 248.370 2.724 20 70 BFIDHN CCCCN(C(=O)[C@H](C)N)[C@@H](C)c1ccccc1 ZINC000161354301 384524670 /nfs/dbraw/zinc/52/46/70/384524670.db2.gz QVRQNVYWVFNQNJ-STQMWFEESA-N 0 3 248.370 2.724 20 70 BFIDHN Cc1cccc([C@H]2CCCN2C[C@@H]2CCCO2)n1 ZINC000160295032 384648892 /nfs/dbraw/zinc/64/88/92/384648892.db2.gz YREBPXWKIFAYKY-DZGCQCFKSA-N 0 3 246.354 2.706 20 70 BFIDHN CCc1ccc(CN(C)CC[C@H](C)O)s1 ZINC000161285057 387179249 /nfs/dbraw/zinc/17/92/49/387179249.db2.gz TWIYLQSOKOIXBK-JTQLQIEISA-N 0 3 227.373 2.513 20 70 BFIDHN CCc1ccc(CN(C)CC[C@@H](C)O)s1 ZINC000161284932 387179339 /nfs/dbraw/zinc/17/93/39/387179339.db2.gz TWIYLQSOKOIXBK-SNVBAGLBSA-N 0 3 227.373 2.513 20 70 BFIDHN CCOCCCN(C)[C@@H](C)c1ccco1 ZINC000159761313 388029207 /nfs/dbraw/zinc/02/92/07/388029207.db2.gz GAODXBLKCRWJAC-NSHDSACASA-N 0 3 211.305 2.699 20 70 BFIDHN C[C@@H](O)C(C)(C)NCc1ccc(Cl)s1 ZINC000160624455 388079597 /nfs/dbraw/zinc/07/95/97/388079597.db2.gz XQHKXDVJAOFQJN-SSDOTTSWSA-N 0 3 233.764 2.651 20 70 BFIDHN CC[C@H](C)CN(CC)[C@H](C(N)=O)c1ccccc1 ZINC000160538225 171278389 /nfs/dbraw/zinc/27/83/89/171278389.db2.gz RGJCMXWTXNVGTP-JSGCOSHPSA-N 0 3 248.370 2.581 20 70 BFIDHN C[C@@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000159813466 176100277 /nfs/dbraw/zinc/10/02/77/176100277.db2.gz POBLFPHLVAJLNV-SNVBAGLBSA-N 0 3 223.291 2.763 20 70 BFIDHN C[C@H]1C[N@H+](Cc2cc([O-])cc(F)c2)C[C@H]1C ZINC000159846891 176300909 /nfs/dbraw/zinc/30/09/09/176300909.db2.gz JYHXBZAXRAVEFG-AOOOYVTPSA-N 0 3 223.291 2.619 20 70 BFIDHN C[C@H]1C[N@@H+](Cc2cc([O-])cc(F)c2)C[C@H]1C ZINC000159846891 176300911 /nfs/dbraw/zinc/30/09/11/176300911.db2.gz JYHXBZAXRAVEFG-AOOOYVTPSA-N 0 3 223.291 2.619 20 70 BFIDHN CC[C@@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160339427 323065041 /nfs/dbraw/zinc/06/50/41/323065041.db2.gz CWLLULOAVAOBLU-GFCCVEGCSA-N 0 3 231.343 2.812 20 70 BFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(C)(C)C ZINC000160522068 323069991 /nfs/dbraw/zinc/06/99/91/323069991.db2.gz HTBVNNYXQSNTDP-NEPJUHHUSA-N 0 3 242.407 2.658 20 70 BFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(C)C(C)C ZINC000160550279 323070779 /nfs/dbraw/zinc/07/07/79/323070779.db2.gz VYNADIKSXPULDU-OLZOCXBDSA-N 0 3 242.407 2.610 20 70 BFIDHN C[C@@H](O)CN(C)Cc1cc2ccccc2s1 ZINC000159528821 488047480 /nfs/dbraw/zinc/04/74/80/488047480.db2.gz YFRINRXBZNGUKL-SNVBAGLBSA-N 0 3 235.352 2.714 20 70 BFIDHN CCN(CCC1CCCC1)Cc1cnn(C)c1 ZINC000160096607 345796448 /nfs/dbraw/zinc/79/64/48/345796448.db2.gz FEYJGYXTVWNOAS-UHFFFAOYSA-N 0 3 235.375 2.822 20 70 BFIDHN CC1(C)CCCN(Cc2cnc3ccccn23)C1 ZINC000160384094 347873702 /nfs/dbraw/zinc/87/37/02/347873702.db2.gz XDLVNKJASJZUPF-UHFFFAOYSA-N 0 3 243.354 2.956 20 70 BFIDHN CCCCN(CCOC)Cc1ccc(C)cn1 ZINC000161207221 349398546 /nfs/dbraw/zinc/39/85/46/349398546.db2.gz AVWJTPDBPGUDQE-UHFFFAOYSA-N 0 3 236.359 2.639 20 70 BFIDHN CC(C)C[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000159768146 361288267 /nfs/dbraw/zinc/28/82/67/361288267.db2.gz SRQZPEMSWRQNDV-NEPJUHHUSA-N 0 3 242.407 2.691 20 70 BFIDHN CC[C@H](C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159600485 361260557 /nfs/dbraw/zinc/26/05/57/361260557.db2.gz DQOJBKHCVGOOEB-VIFPVBQESA-N 0 3 211.280 2.667 20 70 BFIDHN Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636067 384346462 /nfs/dbraw/zinc/34/64/62/384346462.db2.gz VBVGNZFJIPSXRC-MJBXVCDLSA-N 0 3 247.338 2.635 20 70 BFIDHN CC[C@@H](NCCC(C)(C)O)c1nc(C)cs1 ZINC000159662419 384347729 /nfs/dbraw/zinc/34/77/29/384347729.db2.gz MZOUAOGSPKZPSS-SNVBAGLBSA-N 0 3 242.388 2.653 20 70 BFIDHN CCOCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160158309 384646342 /nfs/dbraw/zinc/64/63/42/384646342.db2.gz JXLWSHGIISWTMI-CQSZACIVSA-N 0 3 234.343 2.563 20 70 BFIDHN CSC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000161452841 385066400 /nfs/dbraw/zinc/06/64/00/385066400.db2.gz WDGGLCNOVQIENW-BDAKNGLRSA-N 0 3 228.336 2.623 20 70 BFIDHN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](O)C1 ZINC000217237911 385879744 /nfs/dbraw/zinc/87/97/44/385879744.db2.gz LGVBWOMLRSHCLR-ZIAGYGMSSA-N 0 3 237.318 2.734 20 70 BFIDHN C[C@@H](CCC1CCCCC1)NC(=O)C(C)(C)N ZINC000160914273 386539216 /nfs/dbraw/zinc/53/92/16/386539216.db2.gz VTSIFMBUMWKPPZ-NSHDSACASA-N 0 3 240.391 2.589 20 70 BFIDHN CSC[C@@H](CCO)N[C@H](C)c1cccs1 ZINC000160208302 388052702 /nfs/dbraw/zinc/05/27/02/388052702.db2.gz ABECPGCRJUGVBO-NXEZZACHSA-N 0 3 245.413 2.513 20 70 BFIDHN CSC[C@H](CCO)N[C@H](C)c1cccs1 ZINC000160208074 388053279 /nfs/dbraw/zinc/05/32/79/388053279.db2.gz ABECPGCRJUGVBO-ZJUUUORDSA-N 0 3 245.413 2.513 20 70 BFIDHN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160564050 388074628 /nfs/dbraw/zinc/07/46/28/388074628.db2.gz USDNTHUZNQTIQN-CHWSQXEVSA-N 0 3 243.354 2.955 20 70 BFIDHN Cc1cnccc1CNCc1cccs1 ZINC000160597472 388078698 /nfs/dbraw/zinc/07/86/98/388078698.db2.gz XMKKIDXFBSBEEF-UHFFFAOYSA-N 0 3 218.325 2.741 20 70 BFIDHN C[C@H](O)C(C)(C)NCc1ccc(Cl)s1 ZINC000160624356 388080207 /nfs/dbraw/zinc/08/02/07/388080207.db2.gz XQHKXDVJAOFQJN-ZETCQYMHSA-N 0 3 233.764 2.651 20 70 BFIDHN c1c[nH]c(CNCC2C3CC4CC(C3)CC2C4)n1 ZINC000216855915 134159504 /nfs/dbraw/zinc/15/95/04/134159504.db2.gz VGTDGRCURLFSAL-UHFFFAOYSA-N 0 3 245.370 2.572 20 70 BFIDHN COCCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160281262 134813030 /nfs/dbraw/zinc/81/30/30/134813030.db2.gz AMNQGGMJCOCXRT-CQSZACIVSA-N 0 3 234.343 2.563 20 70 BFIDHN C[C@@H]1CCCCN1Cc1cc(O)cc(F)c1 ZINC000159812438 176073221 /nfs/dbraw/zinc/07/32/21/176073221.db2.gz RLJSSYDANHEIOU-SNVBAGLBSA-N 0 3 223.291 2.906 20 70 BFIDHN CCCCNC(=O)[C@H](C)N(CC)C[C@@H](C)CC ZINC000160548165 323070419 /nfs/dbraw/zinc/07/04/19/323070419.db2.gz BTBMLECFSSNPBQ-STQMWFEESA-N 0 3 242.407 2.659 20 70 BFIDHN C[C@@H](CN[C@@H](C)c1cscn1)C1CC1 ZINC000161175522 538914883 /nfs/dbraw/zinc/91/48/83/538914883.db2.gz OAJWBGQCGADXLH-IUCAKERBSA-N 0 3 210.346 2.840 20 70 BFIDHN CC[C@H](NCC1CC1)c1ccc(F)cn1 ZINC000161305428 346167890 /nfs/dbraw/zinc/16/78/90/346167890.db2.gz AWXPRYKYULZFON-NSHDSACASA-N 0 3 208.280 2.671 20 70 BFIDHN CC[C@@H](NCC1CC1)c1ccc(F)cn1 ZINC000161305569 346168350 /nfs/dbraw/zinc/16/83/50/346168350.db2.gz AWXPRYKYULZFON-LLVKDONJSA-N 0 3 208.280 2.671 20 70 BFIDHN C[C@H]1CC[C@H](C)N(Cc2cnc3ccccn23)C1 ZINC000160897979 349336064 /nfs/dbraw/zinc/33/60/64/349336064.db2.gz JSMXIRBUIPCZEH-STQMWFEESA-N 0 3 243.354 2.955 20 70 BFIDHN Cc1nccn1CCCCN(C)Cc1ccco1 ZINC000161293483 349417265 /nfs/dbraw/zinc/41/72/65/349417265.db2.gz JQWWPSMOIUDFML-UHFFFAOYSA-N 0 3 247.342 2.697 20 70 BFIDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000159767879 361289021 /nfs/dbraw/zinc/28/90/21/361289021.db2.gz SRQZPEMSWRQNDV-RYUDHWBXSA-N 0 3 242.407 2.691 20 70 BFIDHN Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636229 384345928 /nfs/dbraw/zinc/34/59/28/384345928.db2.gz VBVGNZFJIPSXRC-IHRRRGAJSA-N 0 3 247.338 2.635 20 70 BFIDHN CC[C@H](N)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000159689814 384347064 /nfs/dbraw/zinc/34/70/64/384347064.db2.gz VBTKOTBECWUCAM-KBPBESRZSA-N 0 3 248.370 2.546 20 70 BFIDHN COc1ccc(CN(C)Cc2ccn(C)c2)cc1 ZINC000159857578 384365507 /nfs/dbraw/zinc/36/55/07/384365507.db2.gz DOWCMIVJXNFPNN-UHFFFAOYSA-N 0 3 244.338 2.666 20 70 BFIDHN CC[C@H](CSC)NCc1cnccc1C ZINC000217328469 384493162 /nfs/dbraw/zinc/49/31/62/384493162.db2.gz HLIJIAPWWFBSRS-GFCCVEGCSA-N 0 3 224.373 2.621 20 70 BFIDHN CC(C)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159444565 397946561 /nfs/dbraw/zinc/94/65/61/397946561.db2.gz KYICORGTRQDQEL-INIZCTEOSA-N 0 3 245.366 2.816 20 70 BFIDHN C[C@@H](c1cccs1)N(C)CCn1ccnc1 ZINC000159756817 176033295 /nfs/dbraw/zinc/03/32/95/176033295.db2.gz PAZPZQVUJFKFMS-NSHDSACASA-N 0 3 235.356 2.638 20 70 BFIDHN C[C@@H]1[C@@H](C)CCN1Cc1cnc2ccccn12 ZINC000160954794 323140091 /nfs/dbraw/zinc/14/00/91/323140091.db2.gz VXFHBMFPJUNGNZ-NWDGAFQWSA-N 0 3 229.327 2.565 20 70 BFIDHN Cc1ccc2c(c1)[C@@H](NCC(C)(C)O)CCCO2 ZINC000160622432 487970114 /nfs/dbraw/zinc/97/01/14/487970114.db2.gz VZGNOFRMYJVBSO-ZDUSSCGKSA-N 0 3 249.354 2.569 20 70 BFIDHN C[C@@H](NC[C@@H](C)C1CC1)c1cscn1 ZINC000161175855 538914768 /nfs/dbraw/zinc/91/47/68/538914768.db2.gz OAJWBGQCGADXLH-RKDXNWHRSA-N 0 3 210.346 2.840 20 70 BFIDHN CCC(CC)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159584988 168389797 /nfs/dbraw/zinc/38/97/97/168389797.db2.gz LLQLRZISJABOTH-UHFFFAOYSA-N 0 3 211.280 2.810 20 70 BFIDHN CC(C)(O)CN[C@H]1CC(C)(C)Cc2occc21 ZINC000160608739 187301779 /nfs/dbraw/zinc/30/17/79/187301779.db2.gz VICFPJBZECKOJP-NSHDSACASA-N 0 3 237.343 2.654 20 70 BFIDHN CC1(C)COCCN1CCC1CCCC1 ZINC000159520557 345439797 /nfs/dbraw/zinc/43/97/97/345439797.db2.gz GXHHAJMGWCWTJW-UHFFFAOYSA-N 0 3 211.349 2.678 20 70 BFIDHN CN(Cc1cnc2ccccn12)CC(C)(C)C ZINC000159593501 345445284 /nfs/dbraw/zinc/44/52/84/345445284.db2.gz XNSDILQIEJLFMS-UHFFFAOYSA-N 0 3 231.343 2.812 20 70 BFIDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)N ZINC000159692649 179340633 /nfs/dbraw/zinc/34/06/33/179340633.db2.gz BCEPWEUUEMNWMX-OCCSQVGLSA-N 0 3 248.370 2.546 20 70 BFIDHN C[C@H](CC1CC1)N[C@H](C)c1cscn1 ZINC000161197217 349409287 /nfs/dbraw/zinc/40/92/87/349409287.db2.gz IMQVHKKXSXVFBV-RKDXNWHRSA-N 0 3 210.346 2.982 20 70 BFIDHN CC(C)(O)CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000160608619 188334643 /nfs/dbraw/zinc/33/46/43/188334643.db2.gz VICFPJBZECKOJP-LLVKDONJSA-N 0 3 237.343 2.654 20 70 BFIDHN CC[C@@H](NCCSC)c1ccc(F)cn1 ZINC000161338143 368043087 /nfs/dbraw/zinc/04/30/87/368043087.db2.gz BFQNUTSNLCAMOM-SNVBAGLBSA-N 0 3 228.336 2.624 20 70 BFIDHN c1cn(CCN(Cc2ccccc2)C2CC2)cn1 ZINC000159711571 183397058 /nfs/dbraw/zinc/39/70/58/183397058.db2.gz DWOWRNZRAPBSPY-UHFFFAOYSA-N 0 3 241.338 2.548 20 70 BFIDHN Cc1ccoc1CN[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159633142 384344375 /nfs/dbraw/zinc/34/43/75/384344375.db2.gz UUSVIAGJGHRCBK-XBFCOCLRSA-N 0 3 247.338 2.635 20 70 BFIDHN C[C@H](NCC1CCSCC1)c1cscn1 ZINC000161198570 384910195 /nfs/dbraw/zinc/91/01/95/384910195.db2.gz JGZYLVPVHDLPNF-VIFPVBQESA-N 0 3 242.413 2.937 20 70 BFIDHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](O)C1 ZINC000217237908 385879926 /nfs/dbraw/zinc/87/99/26/385879926.db2.gz LGVBWOMLRSHCLR-KGLIPLIRSA-N 0 3 237.318 2.734 20 70 BFIDHN CSCCCCN[C@H](C)c1cscn1 ZINC000161204025 387149354 /nfs/dbraw/zinc/14/93/54/387149354.db2.gz WMABPBCXAVVZOO-SECBINFHSA-N 0 3 230.402 2.937 20 70 BFIDHN CCCC[C@H](C(=O)OC)N1CCCCCC1 ZINC000160796428 388091043 /nfs/dbraw/zinc/09/10/43/388091043.db2.gz AECDIKDNKUXOEQ-GFCCVEGCSA-N 0 3 227.348 2.594 20 70 BFIDHN CC1CCN(CCSc2ccncc2)CC1 ZINC000159915730 168182358 /nfs/dbraw/zinc/18/23/58/168182358.db2.gz ZCLZNBHNAWROGU-UHFFFAOYSA-N 0 3 236.384 2.906 20 70 BFIDHN COCCC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000159378326 174156583 /nfs/dbraw/zinc/15/65/83/174156583.db2.gz WEBKWQVWNABKDJ-CYBMUJFWSA-N 0 3 248.370 2.939 20 70 BFIDHN C[C@@H](O)CN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159535767 176014813 /nfs/dbraw/zinc/01/48/13/176014813.db2.gz CESSEOWOLYOLQS-BDAKNGLRSA-N 0 3 245.725 2.853 20 70 BFIDHN C[C@@H]1C[NH+](Cc2cc([O-])cc(F)c2)C[C@H]1C ZINC000159847131 176301594 /nfs/dbraw/zinc/30/15/94/176301594.db2.gz JYHXBZAXRAVEFG-NXEZZACHSA-N 0 3 223.291 2.619 20 70 BFIDHN CC1(C)CCCN1Cc1cnc2ccccn12 ZINC000159717288 323044472 /nfs/dbraw/zinc/04/44/72/323044472.db2.gz UNLSCTKFSMFRCV-UHFFFAOYSA-N 0 3 229.327 2.709 20 70 BFIDHN CCc1ccc(CN[C@@]2(C)CCOC2)s1 ZINC000160184987 323062851 /nfs/dbraw/zinc/06/28/51/323062851.db2.gz OIBMPQYWIVNDIS-LBPRGKRZSA-N 0 3 225.357 2.579 20 70 BFIDHN C[C@@H]1CCN(Cc2cnc3ccccn23)[C@@H]1C ZINC000160954678 323140114 /nfs/dbraw/zinc/14/01/14/323140114.db2.gz VXFHBMFPJUNGNZ-VXGBXAGGSA-N 0 3 229.327 2.565 20 70 BFIDHN CSCCCCN[C@@H](C)c1cscn1 ZINC000161203909 323465851 /nfs/dbraw/zinc/46/58/51/323465851.db2.gz WMABPBCXAVVZOO-VIFPVBQESA-N 0 3 230.402 2.937 20 70 BFIDHN CC[C@@H](C)NCc1cccc(OC)c1F ZINC000160459042 488135288 /nfs/dbraw/zinc/13/52/88/488135288.db2.gz BJBACUGRYIGVSS-SECBINFHSA-N 0 3 211.280 2.722 20 70 BFIDHN CCC(C)(C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159583963 535361214 /nfs/dbraw/zinc/36/12/14/535361214.db2.gz FHZDHAQZXSFILN-UHFFFAOYSA-N 0 3 211.280 2.810 20 70 BFIDHN C[C@@H](CN[C@H](C)c1cscn1)C1CC1 ZINC000161175745 538915002 /nfs/dbraw/zinc/91/50/02/538915002.db2.gz OAJWBGQCGADXLH-DTWKUNHWSA-N 0 3 210.346 2.840 20 70 BFIDHN CC[C@@H](NC1CCC1)c1ccc(F)cn1 ZINC000161332387 346169386 /nfs/dbraw/zinc/16/93/86/346169386.db2.gz ZHDMXKQCSYKBDF-LLVKDONJSA-N 0 3 208.280 2.814 20 70 BFIDHN C[C@H](CO)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000161163325 323149691 /nfs/dbraw/zinc/14/96/91/323149691.db2.gz IIPMNKRPYJTCBT-HTQZYQBOSA-N 0 3 231.698 2.511 20 70 BFIDHN CCCCCC(=O)N1CCCN(CCC)CC1 ZINC000160384873 347873655 /nfs/dbraw/zinc/87/36/55/347873655.db2.gz ZRKNGZZMBKNMNS-UHFFFAOYSA-N 0 3 240.391 2.511 20 70 BFIDHN C[C@H](CC1CC1)N[C@@H](C)c1cscn1 ZINC000161196964 349408461 /nfs/dbraw/zinc/40/84/61/349408461.db2.gz IMQVHKKXSXVFBV-BDAKNGLRSA-N 0 3 210.346 2.982 20 70 BFIDHN CSCCNCc1cc(Cl)ccc1F ZINC000159884700 351021719 /nfs/dbraw/zinc/02/17/19/351021719.db2.gz NMPIJAFJJHGGDZ-UHFFFAOYSA-N 0 3 233.739 2.932 20 70 BFIDHN CC(C)C[C@H](NCC(C)(C)O)c1ccccn1 ZINC000160593050 188159234 /nfs/dbraw/zinc/15/92/34/188159234.db2.gz ZZEWTXOCQBGOID-ZDUSSCGKSA-N 0 3 236.359 2.529 20 70 BFIDHN CC[C@H](NCCSC)c1ccc(F)cn1 ZINC000161338014 368043277 /nfs/dbraw/zinc/04/32/77/368043277.db2.gz BFQNUTSNLCAMOM-JTQLQIEISA-N 0 3 228.336 2.624 20 70 BFIDHN CC[C@H](N)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000159689681 384347907 /nfs/dbraw/zinc/34/79/07/384347907.db2.gz VBTKOTBECWUCAM-UONOGXRCSA-N 0 3 248.370 2.546 20 70 BFIDHN c1csc(CN(CCn2ccnc2)C2CC2)c1 ZINC000159712466 384351258 /nfs/dbraw/zinc/35/12/58/384351258.db2.gz HRPGYOJKXZMKOR-UHFFFAOYSA-N 0 3 247.367 2.609 20 70 BFIDHN CSC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000161452951 385067130 /nfs/dbraw/zinc/06/71/30/385067130.db2.gz WDGGLCNOVQIENW-DTWKUNHWSA-N 0 3 228.336 2.623 20 70 BFIDHN C[C@H](CCC1CCCCC1)NC(=O)C(C)(C)N ZINC000160914348 386539307 /nfs/dbraw/zinc/53/93/07/386539307.db2.gz VTSIFMBUMWKPPZ-LLVKDONJSA-N 0 3 240.391 2.589 20 70 BFIDHN CC(C)(C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159594489 388022830 /nfs/dbraw/zinc/02/28/30/388022830.db2.gz ZTENVMUJXLHJAO-UHFFFAOYSA-N 0 3 211.280 2.667 20 70 BFIDHN CC[C@H](N)C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000160072153 323059709 /nfs/dbraw/zinc/05/97/09/323059709.db2.gz OSYOVFYMDSLGJT-RYUDHWBXSA-N 0 3 242.407 2.691 20 70 BFIDHN CC[C@H](N)C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000161298997 323493551 /nfs/dbraw/zinc/49/35/51/323493551.db2.gz LXHIHTBBCAZKFX-OLZOCXBDSA-N 0 3 240.391 2.541 20 70 BFIDHN CCCCNCc1cccc(OC)c1F ZINC000160460372 488135016 /nfs/dbraw/zinc/13/50/16/488135016.db2.gz GWMRIYOUIFMQIW-UHFFFAOYSA-N 0 3 211.280 2.724 20 70 BFIDHN Cc1nc(C)c(CNC2CCCCC2)o1 ZINC000159422210 566450580 /nfs/dbraw/zinc/45/05/80/566450580.db2.gz OQLWUYOIFNIJBU-UHFFFAOYSA-N 0 3 208.305 2.714 20 70 BFIDHN C[C@@H](CNc1nc(Cl)cs1)N(C)C1CC1 ZINC000218687451 592173160 /nfs/dbraw/zinc/17/31/60/592173160.db2.gz IIQMAJCPCGIQES-ZETCQYMHSA-N 0 3 245.779 2.691 20 70 BFIDHN C[C@H](N(C)Cc1cnc2ccccn12)C1(C)CC1 ZINC000161442533 349449453 /nfs/dbraw/zinc/44/94/53/349449453.db2.gz BDEAHBSHQREAGT-LBPRGKRZSA-N 0 3 243.354 2.955 20 70 BFIDHN Cc1cc(CN[C@]2(C)CCOC2)c(C)s1 ZINC000160187970 178042170 /nfs/dbraw/zinc/04/21/70/178042170.db2.gz OTXFAZXCSRVHMS-GFCCVEGCSA-N 0 3 225.357 2.634 20 70 BFIDHN C[C@H](CN[C@@H](C)c1cscn1)C1CC1 ZINC000161175616 538110706 /nfs/dbraw/zinc/11/07/06/538110706.db2.gz OAJWBGQCGADXLH-BDAKNGLRSA-N 0 3 210.346 2.840 20 70 BFIDHN Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636514 384344594 /nfs/dbraw/zinc/34/45/94/384344594.db2.gz VBVGNZFJIPSXRC-RDBSUJKOSA-N 0 3 247.338 2.635 20 70 BFIDHN CC[C@H](N)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000159757198 384354760 /nfs/dbraw/zinc/35/47/60/384354760.db2.gz JSFKLWMYWUVDOA-KBPBESRZSA-N 0 3 248.370 2.579 20 70 BFIDHN CC(C)C[C@@H](NCC(C)(C)O)c1ccccn1 ZINC000160593176 384423275 /nfs/dbraw/zinc/42/32/75/384423275.db2.gz ZZEWTXOCQBGOID-CYBMUJFWSA-N 0 3 236.359 2.529 20 70 BFIDHN CO[C@@H](C)c1nc(CNCC(C)C)cs1 ZINC000161062098 385065479 /nfs/dbraw/zinc/06/54/79/385065479.db2.gz IPFSKQLFTRSEBJ-VIFPVBQESA-N 0 3 228.361 2.596 20 70 BFIDHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000161432325 385765178 /nfs/dbraw/zinc/76/51/78/385765178.db2.gz OIEIOORDJOGTCP-LPEHRKFASA-N 0 3 208.280 2.527 20 70 BFIDHN CCCCN(C(=O)[C@H](C)N)[C@H](C)c1ccccc1 ZINC000161354396 388579427 /nfs/dbraw/zinc/57/94/27/388579427.db2.gz QVRQNVYWVFNQNJ-QWHCGFSZSA-N 0 3 248.370 2.724 20 70 BFIDHN CC(C)CC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159586496 397948394 /nfs/dbraw/zinc/94/83/94/397948394.db2.gz GSXGIDJYFITSFO-UHFFFAOYSA-N 0 3 211.280 2.667 20 70 BFIDHN CC(C)[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159588835 167382567 /nfs/dbraw/zinc/38/25/67/167382567.db2.gz KXSZPFOOAOXFRN-SECBINFHSA-N 0 3 211.280 2.665 20 70 BFIDHN CC1(NCc2cc(F)ccc2F)CCC1 ZINC000159995533 168063380 /nfs/dbraw/zinc/06/33/80/168063380.db2.gz AMNHDOAFRVNVMI-UHFFFAOYSA-N 0 3 211.255 2.997 20 70 BFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(C)(C)C ZINC000160522176 323069985 /nfs/dbraw/zinc/06/99/85/323069985.db2.gz HTBVNNYXQSNTDP-RYUDHWBXSA-N 0 3 242.407 2.658 20 70 BFIDHN Cc1nc2ccccn2c1CN1CCC[C@@H]1C ZINC000160892243 323137914 /nfs/dbraw/zinc/13/79/14/323137914.db2.gz CJMLSUJHEPYCTL-NSHDSACASA-N 0 3 229.327 2.627 20 70 BFIDHN CCN(CCNc1nc(Cl)cs1)C1CC1 ZINC000218648176 592169821 /nfs/dbraw/zinc/16/98/21/592169821.db2.gz ARFLCXVECKGDPC-UHFFFAOYSA-N 0 3 245.779 2.693 20 70 BFIDHN Cc1cccc([C@H]2CCCN2CCCF)n1 ZINC000159718616 345503569 /nfs/dbraw/zinc/50/35/69/345503569.db2.gz FKBNLECNPSAOKJ-CYBMUJFWSA-N 0 3 222.307 2.887 20 70 BFIDHN Cc1cccc([C@@H]2CCCN2CCOC(C)C)n1 ZINC000160036093 345788452 /nfs/dbraw/zinc/78/84/52/345788452.db2.gz LWSLLRKANSEDER-HNNXBMFYSA-N 0 3 248.370 2.952 20 70 BFIDHN CC[C@H](CSC)NCc1ccncc1Cl ZINC000217330739 346299144 /nfs/dbraw/zinc/29/91/44/346299144.db2.gz AUEGNGPGQDXOQR-SNVBAGLBSA-N 0 3 244.791 2.966 20 70 BFIDHN CC1(C)CCN(Cc2cc(O)cc(F)c2)C1 ZINC000159848958 346432602 /nfs/dbraw/zinc/43/26/02/346432602.db2.gz ZCRBKKFOPGCYST-UHFFFAOYSA-N 0 3 223.291 2.763 20 70 BFIDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)N ZINC000159691626 179340998 /nfs/dbraw/zinc/34/09/98/179340998.db2.gz BCEPWEUUEMNWMX-JSGCOSHPSA-N 0 3 248.370 2.546 20 70 BFIDHN CCC1(O)CCN(Cc2ccc(F)cc2)CC1 ZINC000218393413 350091917 /nfs/dbraw/zinc/09/19/17/350091917.db2.gz RQOKHQHRSQAOPI-UHFFFAOYSA-N 0 3 237.318 2.563 20 70 BFIDHN CC[C@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000160341235 384402677 /nfs/dbraw/zinc/40/26/77/384402677.db2.gz BOUWUKJVJAMBJW-AWEZNQCLSA-N 0 3 243.354 2.921 20 70 BFIDHN Cc1ccc2c(c1)OCCC[C@H]2NCC(C)(C)O ZINC000160603482 384422481 /nfs/dbraw/zinc/42/24/81/384422481.db2.gz XKZYTHJMIFYGDF-CYBMUJFWSA-N 0 3 249.354 2.569 20 70 BFIDHN CCOCCN1CCC[C@H]1c1cccc(C)n1 ZINC000160158453 384646690 /nfs/dbraw/zinc/64/66/90/384646690.db2.gz JXLWSHGIISWTMI-AWEZNQCLSA-N 0 3 234.343 2.563 20 70 BFIDHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000161432453 385049609 /nfs/dbraw/zinc/04/96/09/385049609.db2.gz OIEIOORDJOGTCP-UTLUCORTSA-N 0 3 208.280 2.527 20 70 BFIDHN CCOCCCN(C)Cc1ccc(C)s1 ZINC000160435478 388066527 /nfs/dbraw/zinc/06/65/27/388066527.db2.gz BXQCAJOPXYTXBO-UHFFFAOYSA-N 0 3 227.373 2.915 20 70 BFIDHN COC[C@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000159549619 134779306 /nfs/dbraw/zinc/77/93/06/134779306.db2.gz QGUFFEREWNINNU-HZMBPMFUSA-N 0 3 237.318 2.828 20 70 BFIDHN CCCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159585640 397948292 /nfs/dbraw/zinc/94/82/92/397948292.db2.gz ZETYJVPHPIENCU-UHFFFAOYSA-N 0 3 211.280 2.811 20 70 BFIDHN CC1(NCc2ccc(F)cc2F)CCC1 ZINC000160007810 168062462 /nfs/dbraw/zinc/06/24/62/168062462.db2.gz OBFCAYQVAQPHHL-UHFFFAOYSA-N 0 3 211.255 2.997 20 70 BFIDHN C[C@@H]1CCCN1Cc1cc(O)cc(F)c1 ZINC000159821759 176108992 /nfs/dbraw/zinc/10/89/92/176108992.db2.gz JWNYSKNZKPPLQS-SECBINFHSA-N 0 3 209.264 2.516 20 70 BFIDHN CCc1ccc(CN[C@]2(C)CCOC2)s1 ZINC000160184862 323062847 /nfs/dbraw/zinc/06/28/47/323062847.db2.gz OIBMPQYWIVNDIS-GFCCVEGCSA-N 0 3 225.357 2.579 20 70 BFIDHN CN(Cc1cccc(F)c1)CC1=CCCOC1 ZINC000160468840 323067852 /nfs/dbraw/zinc/06/78/52/323067852.db2.gz KQUFRDGYTDBUBP-UHFFFAOYSA-N 0 3 235.302 2.604 20 70 BFIDHN CC1(C)CCN(Cc2cnc3ccccn23)C1 ZINC000160869778 323075789 /nfs/dbraw/zinc/07/57/89/323075789.db2.gz HNVQMNBUUIPLBD-UHFFFAOYSA-N 0 3 229.327 2.566 20 70 BFIDHN CN(C)Cc1ccc(-c2ccccn2)cc1 ZINC000218041422 592151358 /nfs/dbraw/zinc/15/13/58/592151358.db2.gz DEEOQYMOCQNCGF-UHFFFAOYSA-N 0 3 212.296 2.810 20 70 BFIDHN COC[C@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000159549347 345442050 /nfs/dbraw/zinc/44/20/50/345442050.db2.gz QGUFFEREWNINNU-IINYFYTJSA-N 0 3 237.318 2.828 20 70 BFIDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)N ZINC000159691503 179322819 /nfs/dbraw/zinc/32/28/19/179322819.db2.gz BCEPWEUUEMNWMX-GXTWGEPZSA-N 0 3 248.370 2.546 20 70 BFIDHN CCCCN(C(=O)[C@@H](C)N)[C@H](C)c1ccccc1 ZINC000161355938 384483126 /nfs/dbraw/zinc/48/31/26/384483126.db2.gz QVRQNVYWVFNQNJ-CHWSQXEVSA-N 0 3 248.370 2.724 20 70 BFIDHN C[C@H](NC(C1CC1)C1CC1)c1cscn1 ZINC000161173519 384882125 /nfs/dbraw/zinc/88/21/25/384882125.db2.gz HIHIHLWNSZJUSC-QMMMGPOBSA-N 0 3 222.357 2.982 20 70 BFIDHN C[C@H](NC[C@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000161432182 385044825 /nfs/dbraw/zinc/04/48/25/385044825.db2.gz OIEIOORDJOGTCP-KXUCPTDWSA-N 0 3 208.280 2.527 20 70 BFIDHN CC[C@@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000160341407 170904281 /nfs/dbraw/zinc/90/42/81/170904281.db2.gz BOUWUKJVJAMBJW-CQSZACIVSA-N 0 3 243.354 2.921 20 70 BFIDHN C[C@H]1CCCCN1Cc1cc(O)cc(F)c1 ZINC000159812566 177077034 /nfs/dbraw/zinc/07/70/34/177077034.db2.gz RLJSSYDANHEIOU-JTQLQIEISA-N 0 3 223.291 2.906 20 70 BFIDHN Cc1nc2ccccn2c1CN(C)C1CCC1 ZINC000160800348 323135916 /nfs/dbraw/zinc/13/59/16/323135916.db2.gz ZYKXNCSJYAIKIM-UHFFFAOYSA-N 0 3 229.327 2.627 20 70 BFIDHN CC[C@H](N)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160914998 323139096 /nfs/dbraw/zinc/13/90/96/323139096.db2.gz GSYMJWFPGISKOR-AAEUAGOBSA-N 0 3 240.391 2.589 20 70 BFIDHN CC[C@H](N)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000160915149 323139147 /nfs/dbraw/zinc/13/91/47/323139147.db2.gz GSYMJWFPGISKOR-YPMHNXCESA-N 0 3 240.391 2.589 20 70 BFIDHN CC[C@H](N)C(=O)N1CCCCC[C@H]1CC(C)C ZINC000161299106 323493668 /nfs/dbraw/zinc/49/36/68/323493668.db2.gz LXHIHTBBCAZKFX-STQMWFEESA-N 0 3 240.391 2.541 20 70 BFIDHN CC(C)C[C@@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000159768266 488086351 /nfs/dbraw/zinc/08/63/51/488086351.db2.gz SRQZPEMSWRQNDV-VXGBXAGGSA-N 0 3 242.407 2.691 20 70 BFIDHN CC(C)NCc1cnc(C(F)(F)F)s1 ZINC000159600507 345445234 /nfs/dbraw/zinc/44/52/34/345445234.db2.gz QDCVEGLQXWXHEY-UHFFFAOYSA-N 0 3 224.251 2.660 20 70 BFIDHN CCOCCCN(CC)Cc1ccoc1 ZINC000160249409 355709953 /nfs/dbraw/zinc/70/99/53/355709953.db2.gz UWOQZXMJKNJCQL-UHFFFAOYSA-N 0 3 211.305 2.528 20 70 BFIDHN [O-]c1cc(F)cc(C[NH2+]C2CCCC2)c1 ZINC000159584856 183259177 /nfs/dbraw/zinc/25/91/77/183259177.db2.gz LOSAXUVDYMKBAA-UHFFFAOYSA-N 0 3 209.264 2.564 20 70 BFIDHN CCCC[C@H](C(=O)OC)N(CC)CCCC ZINC000161011505 384688772 /nfs/dbraw/zinc/68/87/72/384688772.db2.gz HZXCBSHSBRYROB-GFCCVEGCSA-N 0 3 229.364 2.840 20 70 BFIDHN CSC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000161452719 385066061 /nfs/dbraw/zinc/06/60/61/385066061.db2.gz WDGGLCNOVQIENW-IUCAKERBSA-N 0 3 228.336 2.623 20 70 BFIDHN CC(C)=CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000216737272 386794627 /nfs/dbraw/zinc/79/46/27/386794627.db2.gz YPZDYTYERZTKNN-MRXNPFEDSA-N 0 3 244.382 2.941 20 70 BFIDHN CCCC[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159805340 388031784 /nfs/dbraw/zinc/03/17/84/388031784.db2.gz JPSCKKSPKQVVPT-UHFFFAOYSA-N 0 3 211.280 2.763 20 70 BFIDHN CCCC[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159805340 388031787 /nfs/dbraw/zinc/03/17/87/388031787.db2.gz JPSCKKSPKQVVPT-UHFFFAOYSA-N 0 3 211.280 2.763 20 70 BFIDHN CSC[C@H](CCO)N[C@@H](C)c1cccs1 ZINC000160207945 388053868 /nfs/dbraw/zinc/05/38/68/388053868.db2.gz ABECPGCRJUGVBO-UWVGGRQHSA-N 0 3 245.413 2.513 20 70 BFIDHN CC(C)[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159588962 397948307 /nfs/dbraw/zinc/94/83/07/397948307.db2.gz KXSZPFOOAOXFRN-VIFPVBQESA-N 0 3 211.280 2.665 20 70 BFIDHN CC1(NCc2cccc(F)c2F)CCC1 ZINC000159996638 168064438 /nfs/dbraw/zinc/06/44/38/168064438.db2.gz LMGKSBWOUSUEJO-UHFFFAOYSA-N 0 3 211.255 2.997 20 70 BFIDHN CC[C@@H](CSC)NCc1cnccc1C ZINC000217328467 170853512 /nfs/dbraw/zinc/85/35/12/170853512.db2.gz HLIJIAPWWFBSRS-LBPRGKRZSA-N 0 3 224.373 2.621 20 70 BFIDHN CN(Cc1cnc2ccccn12)CC1CCC1 ZINC000160348986 323065016 /nfs/dbraw/zinc/06/50/16/323065016.db2.gz WKCGRFIOTPBOJY-UHFFFAOYSA-N 0 3 229.327 2.566 20 70 BFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587930 323073179 /nfs/dbraw/zinc/07/31/79/323073179.db2.gz SPKCTLGMMMDWHB-STQMWFEESA-N 0 3 242.407 2.611 20 70 BFIDHN c1cc(CNCC23CC4CC(CC(C4)C2)C3)no1 ZINC000216851914 584943707 /nfs/dbraw/zinc/94/37/07/584943707.db2.gz DPRMLRWKYUDAFD-UHFFFAOYSA-N 0 3 246.354 2.981 20 70 BFIDHN C[C@@H](N(C)Cc1cnc2ccccn12)C1(C)CC1 ZINC000161442657 349449499 /nfs/dbraw/zinc/44/94/99/349449499.db2.gz BDEAHBSHQREAGT-GFCCVEGCSA-N 0 3 243.354 2.955 20 70 BFIDHN COC[C@@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000159549492 345442004 /nfs/dbraw/zinc/44/20/04/345442004.db2.gz QGUFFEREWNINNU-QMTHXVAHSA-N 0 3 237.318 2.828 20 70 BFIDHN CC[C@@H](CSC)NCc1ccncc1Cl ZINC000217330737 346299606 /nfs/dbraw/zinc/29/96/06/346299606.db2.gz AUEGNGPGQDXOQR-JTQLQIEISA-N 0 3 244.791 2.966 20 70 BFIDHN C[C@@H]1CC[C@H](C)CN1Cc1cnc2ccccn12 ZINC000160898234 349336467 /nfs/dbraw/zinc/33/64/67/349336467.db2.gz JSMXIRBUIPCZEH-QWHCGFSZSA-N 0 3 243.354 2.955 20 70 BFIDHN C[C@H](O)CN(C)Cc1cc2ccccc2s1 ZINC000159528705 538877617 /nfs/dbraw/zinc/87/76/17/538877617.db2.gz YFRINRXBZNGUKL-JTQLQIEISA-N 0 3 235.352 2.714 20 70 BFIDHN CCOCCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160399941 538884627 /nfs/dbraw/zinc/88/46/27/538884627.db2.gz ALAAZQXMSPAQDD-OAHLLOKOSA-N 0 3 248.370 2.954 20 70 BFIDHN CC(C)C[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816457 361291048 /nfs/dbraw/zinc/29/10/48/361291048.db2.gz PZLNSMYVXZICOY-UHFFFAOYSA-N 0 3 211.280 2.619 20 70 BFIDHN CC(C)C[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816457 361291050 /nfs/dbraw/zinc/29/10/50/361291050.db2.gz PZLNSMYVXZICOY-UHFFFAOYSA-N 0 3 211.280 2.619 20 70 BFIDHN CC[C@H](C)[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816143 361291138 /nfs/dbraw/zinc/29/11/38/361291138.db2.gz KUGAWQJOFDATMD-VIFPVBQESA-N 0 3 211.280 2.762 20 70 BFIDHN CC[C@H](C)[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000159816143 361291144 /nfs/dbraw/zinc/29/11/44/361291144.db2.gz KUGAWQJOFDATMD-VIFPVBQESA-N 0 3 211.280 2.762 20 70 BFIDHN COC(=O)C1(N(C)CCC(C)(C)C)CCCC1 ZINC000159364398 384005691 /nfs/dbraw/zinc/00/56/91/384005691.db2.gz RMKMXEXXMFJAOX-UHFFFAOYSA-N 0 3 241.375 2.840 20 70 BFIDHN Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636384 384346045 /nfs/dbraw/zinc/34/60/45/384346045.db2.gz VBVGNZFJIPSXRC-MCIONIFRSA-N 0 3 247.338 2.635 20 70 BFIDHN COC[C@H](NCCC(C)(C)C)c1ccco1 ZINC000159668377 384349023 /nfs/dbraw/zinc/34/90/23/384349023.db2.gz JYMORFONRDIKSQ-NSHDSACASA-N 0 3 225.332 2.993 20 70 BFIDHN CC[C@@H](C)CN(CC)[C@H](C(N)=O)c1ccccc1 ZINC000160538088 384416832 /nfs/dbraw/zinc/41/68/32/384416832.db2.gz RGJCMXWTXNVGTP-OCCSQVGLSA-N 0 3 248.370 2.581 20 70 BFIDHN CC[C@@H](NCC(C)(C)O)c1cc(F)ccc1F ZINC000160605876 384423384 /nfs/dbraw/zinc/42/33/84/384423384.db2.gz DUDSIJDOVPLYNH-GFCCVEGCSA-N 0 3 243.297 2.776 20 70 BFIDHN C[C@@H](NCC1CCSCC1)c1cscn1 ZINC000161198679 384473929 /nfs/dbraw/zinc/47/39/29/384473929.db2.gz JGZYLVPVHDLPNF-SECBINFHSA-N 0 3 242.413 2.937 20 70 BFIDHN C[C@H](NCC1CCCC1)c1cscn1 ZINC000161166878 384867053 /nfs/dbraw/zinc/86/70/53/384867053.db2.gz GIUOCGBRXFKNDU-VIFPVBQESA-N 0 3 210.346 2.984 20 70 BFIDHN CO[C@H](C)c1nc(CNCC(C)C)cs1 ZINC000161061964 385067902 /nfs/dbraw/zinc/06/79/02/385067902.db2.gz IPFSKQLFTRSEBJ-SECBINFHSA-N 0 3 228.361 2.596 20 70 BFIDHN CC[C@H](N)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000161309032 387185564 /nfs/dbraw/zinc/18/55/64/387185564.db2.gz YOYXOWCPPBVCEY-JSGCOSHPSA-N 0 3 248.370 2.560 20 70 BFIDHN CSC[C@@H](CCO)N[C@@H](C)c1cccs1 ZINC000160208193 388053443 /nfs/dbraw/zinc/05/34/43/388053443.db2.gz ABECPGCRJUGVBO-VHSXEESVSA-N 0 3 245.413 2.513 20 70 BFIDHN CCN(CC)Cc1ncc(C)c(OC)c1C ZINC000160965576 388106514 /nfs/dbraw/zinc/10/65/14/388106514.db2.gz GWWKRMYDZZAZEA-UHFFFAOYSA-N 0 3 222.332 2.549 20 70 BFIDHN CSC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000161453082 397733926 /nfs/dbraw/zinc/73/39/26/397733926.db2.gz WDGGLCNOVQIENW-RKDXNWHRSA-N 0 3 228.336 2.623 20 70 BFIDHN Cc1ccc2c(c1)[C@H](NCC(C)(C)O)CCCO2 ZINC000160622298 398044806 /nfs/dbraw/zinc/04/48/06/398044806.db2.gz VZGNOFRMYJVBSO-CYBMUJFWSA-N 0 3 249.354 2.569 20 70 BFIDHN C[C@H]1CCCN1Cc1cc(O)cc(F)c1 ZINC000159821908 177110261 /nfs/dbraw/zinc/11/02/61/177110261.db2.gz JWNYSKNZKPPLQS-VIFPVBQESA-N 0 3 209.264 2.516 20 70 BFIDHN CC(C)(C)OC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159607965 323040230 /nfs/dbraw/zinc/04/02/30/323040230.db2.gz KQIDJGIQFMYOBC-RYUDHWBXSA-N 0 3 239.359 2.593 20 70 BFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587799 323073161 /nfs/dbraw/zinc/07/31/61/323073161.db2.gz SPKCTLGMMMDWHB-OLZOCXBDSA-N 0 3 242.407 2.611 20 70 BFIDHN C[C@H](CNc1nc(Cl)cs1)N(C)C1CC1 ZINC000218687532 592173628 /nfs/dbraw/zinc/17/36/28/592173628.db2.gz IIQMAJCPCGIQES-SSDOTTSWSA-N 0 3 245.779 2.691 20 70 BFIDHN CN(Cc1ccn(C)c1)Cc1ccc(F)cc1 ZINC000161145174 398205731 /nfs/dbraw/zinc/20/57/31/398205731.db2.gz KEGCMBIHVXTBDI-UHFFFAOYSA-N 0 3 232.302 2.796 20 70 BFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCC(C)C ZINC000160534290 323070239 /nfs/dbraw/zinc/07/02/39/323070239.db2.gz QUHSGHCWYMEADY-STQMWFEESA-N 0 3 242.407 2.515 20 70 BFIDHN Cc1cccc(CN(C)CCOCC2CC2)c1 ZINC000159513135 345438973 /nfs/dbraw/zinc/43/89/73/345438973.db2.gz WGLOHPDPXVBNEL-UHFFFAOYSA-N 0 3 233.355 2.853 20 70 BFIDHN CC[N@H+](Cc1cc([O-])cc(F)c1)C(C)C ZINC000159817724 345551466 /nfs/dbraw/zinc/55/14/66/345551466.db2.gz JKKMECZDKQYQAT-UHFFFAOYSA-N 0 3 211.280 2.762 20 70 BFIDHN CC[N@@H+](Cc1cc([O-])cc(F)c1)C(C)C ZINC000159817724 345551467 /nfs/dbraw/zinc/55/14/67/345551467.db2.gz JKKMECZDKQYQAT-UHFFFAOYSA-N 0 3 211.280 2.762 20 70 BFIDHN Cc1ccccc1CN(C)Cc1ccn(C)c1 ZINC000160520937 179269514 /nfs/dbraw/zinc/26/95/14/179269514.db2.gz MKSBOBKXFNPABM-UHFFFAOYSA-N 0 3 228.339 2.966 20 70 BFIDHN C[C@@H]1CC[C@@H](C)N(Cc2cnc3ccccn23)C1 ZINC000160898100 349336231 /nfs/dbraw/zinc/33/62/31/349336231.db2.gz JSMXIRBUIPCZEH-CHWSQXEVSA-N 0 3 243.354 2.955 20 70 BFIDHN CCn1ccnc1CNC(C)(CC)CC ZINC000217810535 372014106 /nfs/dbraw/zinc/01/41/06/372014106.db2.gz ZKTAWZQRFXLHBL-UHFFFAOYSA-N 0 3 209.337 2.571 20 70 BFIDHN Cc1ccoc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159632775 384345258 /nfs/dbraw/zinc/34/52/58/384345258.db2.gz UUSVIAGJGHRCBK-YUTCNCBUSA-N 0 3 247.338 2.635 20 70 BFIDHN Cc1ccoc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159632994 384346334 /nfs/dbraw/zinc/34/63/34/384346334.db2.gz UUSVIAGJGHRCBK-BNOWGMLFSA-N 0 3 247.338 2.635 20 70 BFIDHN COCCCN1CCC[C@H]1c1cccc(C)n1 ZINC000160281126 385233093 /nfs/dbraw/zinc/23/30/93/385233093.db2.gz AMNQGGMJCOCXRT-AWEZNQCLSA-N 0 3 234.343 2.563 20 70 BFIDHN COC[C@@H](NCCC(C)(C)C)c1ccco1 ZINC000159668488 386086660 /nfs/dbraw/zinc/08/66/60/386086660.db2.gz JYMORFONRDIKSQ-LLVKDONJSA-N 0 3 225.332 2.993 20 70 BFIDHN C[C@H](O)C(C)(C)NCc1ccccc1Cl ZINC000160598004 388077940 /nfs/dbraw/zinc/07/79/40/388077940.db2.gz FFLWBFKEKVMDDE-VIFPVBQESA-N 0 3 227.735 2.589 20 70 BFIDHN Cc1nc2ccccn2c1CN(C)CC1CCC1 ZINC000160349256 323065012 /nfs/dbraw/zinc/06/50/12/323065012.db2.gz CASKLHWVSVOWSI-UHFFFAOYSA-N 0 3 243.354 2.875 20 70 BFIDHN CN(Cc1ccc(F)cc1)CC1=CCCOC1 ZINC000161149282 323149238 /nfs/dbraw/zinc/14/92/38/323149238.db2.gz HFJMGIKTKRKVHA-UHFFFAOYSA-N 0 3 235.302 2.604 20 70 BFIDHN Cc1ccc(CN(C)CCOCC2CC2)s1 ZINC000160433598 178548059 /nfs/dbraw/zinc/54/80/59/178548059.db2.gz WHEJSLJBWOWGFJ-UHFFFAOYSA-N 0 3 239.384 2.915 20 70 BFIDHN c1cc(CNCC2C3CC4CC(C3)CC2C4)n[nH]1 ZINC000216843991 343756484 /nfs/dbraw/zinc/75/64/84/343756484.db2.gz WJTOUKYJMQDOHV-UHFFFAOYSA-N 0 3 245.370 2.572 20 70 BFIDHN CC[C@@H](c1ccc(F)cc1F)N(C)C[C@@H](C)O ZINC000159371099 345428775 /nfs/dbraw/zinc/42/87/75/345428775.db2.gz BTLIFPGDHOOHMF-RNCFNFMXSA-N 0 3 243.297 2.729 20 70 BFIDHN COC[C@@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000159549777 345442168 /nfs/dbraw/zinc/44/21/68/345442168.db2.gz QGUFFEREWNINNU-YGRLFVJLSA-N 0 3 237.318 2.828 20 70 BFIDHN Cc1cc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159624622 345449897 /nfs/dbraw/zinc/44/98/97/345449897.db2.gz FSJFNMSGAQVBJX-AAEUAGOBSA-N 0 3 220.316 2.748 20 70 BFIDHN CCCCN(C)CCNC(=O)CCC(C)(C)C ZINC000159949486 351126128 /nfs/dbraw/zinc/12/61/28/351126128.db2.gz FJUAVVFAJDXDNE-UHFFFAOYSA-N 0 3 242.407 2.661 20 70 BFIDHN CCC[N@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000159817155 169130101 /nfs/dbraw/zinc/13/01/01/169130101.db2.gz QAVBMAATXCFKFE-UHFFFAOYSA-N 0 3 211.280 2.763 20 70 BFIDHN CCC[N@@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000159817155 169130103 /nfs/dbraw/zinc/13/01/03/169130103.db2.gz QAVBMAATXCFKFE-UHFFFAOYSA-N 0 3 211.280 2.763 20 70 BFIDHN C[N@H+](Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000159803512 384357323 /nfs/dbraw/zinc/35/73/23/384357323.db2.gz JPBMUEJZTPSCQE-UHFFFAOYSA-N 0 3 223.291 2.906 20 70 BFIDHN C[N@@H+](Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000159803512 384357325 /nfs/dbraw/zinc/35/73/25/384357325.db2.gz JPBMUEJZTPSCQE-UHFFFAOYSA-N 0 3 223.291 2.906 20 70 BFIDHN Cc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000160639750 384426190 /nfs/dbraw/zinc/42/61/90/384426190.db2.gz BHNGDZISQBVJAQ-UHFFFAOYSA-N 0 3 231.339 2.774 20 70 BFIDHN CC[C@H](NCC(C)(C)O)c1cc(F)ccc1F ZINC000160605746 384422004 /nfs/dbraw/zinc/42/20/04/384422004.db2.gz DUDSIJDOVPLYNH-LBPRGKRZSA-N 0 3 243.297 2.776 20 70 BFIDHN CCCC[C@H](C(=O)OC)N(CC)CC(C)C ZINC000161012258 384739594 /nfs/dbraw/zinc/73/95/94/384739594.db2.gz DBZQFYDYFOBHPA-GFCCVEGCSA-N 0 3 229.364 2.696 20 70 BFIDHN CCc1ccc(CN(CC)CCCO)s1 ZINC000161299754 387186060 /nfs/dbraw/zinc/18/60/60/387186060.db2.gz INQSPUSNPWLXGP-UHFFFAOYSA-N 0 3 227.373 2.515 20 70 BFIDHN COc1ccccc1CNC1(C)CCC1 ZINC000160009266 175329335 /nfs/dbraw/zinc/32/93/35/175329335.db2.gz MNWRUOSFMZPFFI-UHFFFAOYSA-N 0 3 205.301 2.727 20 70 BFIDHN C[C@H](c1cccs1)N(C)CCn1ccnc1 ZINC000159756927 177048573 /nfs/dbraw/zinc/04/85/73/177048573.db2.gz PAZPZQVUJFKFMS-LLVKDONJSA-N 0 3 235.356 2.638 20 70 BFIDHN C[C@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000159813597 177100507 /nfs/dbraw/zinc/10/05/07/177100507.db2.gz POBLFPHLVAJLNV-JTQLQIEISA-N 0 3 223.291 2.763 20 70 BFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCC(C)C ZINC000160534174 323070356 /nfs/dbraw/zinc/07/03/56/323070356.db2.gz QUHSGHCWYMEADY-OLZOCXBDSA-N 0 3 242.407 2.515 20 70 BFIDHN